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  • Springer  (78)
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  • 1
    Electronic Resource
    Electronic Resource
    Influence of structural parameters on the properties of electrolytic Ni–Mn–S deposits (1999)
    Springer
    Journal of applied electrochemistry 29 (1999), S. 51-57 
    Details
    ISSN: 1572-8838
    Keywords: codeposition Ni ; Mn ; S ; X-ray analysis ; structure ; texture ; properties
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Electrical Engineering, Measurement and Control Technology
    Notes: Abstract Microstructural parameters such as coherent domain size, microstrain, dislocation density and texture of electrolytically plated Ni–Mn–S layers were investigated by X-ray analysis. Structural parameters, layer composition and the macroproperties are discussed and explained. With the help of a statistical regression analysis the correlation coefficient r2 and its relationship with the investigated parameters is determined. It is shown that the microstructural parameters play an important role in determining the macroscopic properties. The manganese concentration is shown to influence the structural parameters, but no influence of sulphur is found. It seems that a relationship of the structural parameters with the macroscopic properties is valid in general and is not a special case. There structural correlations can be used in general for processing electrolytic deposits for required applications.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1003486714232
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  • 2
    Electronic Resource
    Electronic Resource
    Structural study of the molecular complex in crystals of brucine with pantolactone (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 121-125 
    Details
    ISSN: 1572-8854
    Keywords: Crystal structure ; brucine ; pantolactone ; molecular complex ; chiral resolution
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract We have determined an X-ray crystal structure, a = 12.482(1), b = 14.349(1), c = 14.342(1) Å, orthorhombic, P212121 for a molecular complex of brucine with pantolactone. The crystal structure is composed of corrugated sheets of brucine molecules containing the guest pantolactone molecules. The conformational twist of the pyrrolidine ring in brucine may probably be important in projecting the amine N2 to provide a strong and specific binding site for a chiral complexation. The pseudo-equatorial orientation of the hydroxyl group of the pantolactone anchors itself for binding via hydrogen bonding. In the crystal packing, the pantolactone molecules form helices and the brucine molecules are attached to these helices by O=H···N hydrogen bonds.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009543903373
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  • 3
    Electronic Resource
    Electronic Resource
    The formation of a Schiff base intermediate: a nickel(II) complex of an asymmetric tripodal ligand (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 207-210 
    Details
    ISSN: 1572-8854
    Keywords: Tripodal ligand ; Ni(II) complex ; quinoline ; carbinoxyamine ; structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Treatment of Ni(ClO4)2 · 6H2O with the condensing product of 2-formylpyridine N-oxide and 1,5-diamino-3-(8-methylquinolyl)azapentane (dmqa) has resulted in the formation of an asymmetric tripodal nickel(II) complex, [C28H32N6O3Ni](ClO4)2 · H2O, which has been crystallographically characterized. Crystal data: triclinic, space group p ī, a = 10.384(2), b = 10.911(3), c = 16.6101(11) Å, α = 95.62(2), β = 105.04(2), γ = 112.954(11)°, D c = 1.581 g/cm3, Z = 2 and V = 1631.0(6) Å3. A quinoline moiety is first introduced into an arm in the complex of a tripodal ligand in which an ethylcarbinoxyamine group, the intermediate of Schiff bases, exists.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009578329008
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  • 4
    Electronic Resource
    Electronic Resource
    Crystal structure and conformational analysis of N-formyl and N-nitroso derivatives of piperidinone (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 769-775 
    Details
    ISSN: 1572-8854
    Keywords: structure ; conformation ; equatorial ; axial orientations
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Single crystal X-ray studies for N-formyl-2,6-diortho chlorophenyl-3,5-dimethyl piperidin-4-one (FOCDMPO) and N-nitroso-2,6-di(3′,4′,5′-trimethoxyphenyl)-3,5-dimethyl piperidin-4-one (NTMPO) are reported. Crystals of FOCDMPO and NTMPO belong to the monoclinic space groups P21/n and C2/c, respectively. FOCDMPO: a = 9.147(2), b = 14.586(3), c = 13.665(5) Å and β = 101.68(2)° NTMPO: a = 38.52(2), b = 13.727(5), c = 9.564(3) Å and β = 98.60(1)°. In both the structures, the piperidine ring adopts a boat conformation with slight distortion. In FOCDMPO, one of the phenyl and methyl groups are in axial positions while the other phenyl and methyl groups are in equatorial orientations. In NTMPO, the situation is reversed. The molecules are stabilized by weak intermolecular C—H ··· O interactions in addition to van der Waals forces.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009587518299
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  • 5
    Electronic Resource
    Electronic Resource
    Crystal structure refinement of nitroguanidine (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 671-676 
    Details
    ISSN: 1572-8854
    Keywords: nitroguanidine ; energetic molecule ; structure ; oxidizer
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of nitroguanidine was refined using X-ray single-crystal diffraction methods. Previous structure determinations achieved with single crystal photographic or neutron powder techniques yielded values for the C—N ‘formal’ double bond-length that either equaled or exceeded the ‘formal’ C—N single-bond lengths. Bond lengths were more precisely and accurately determined here than in the previous studies, but the ‘formal’ double-bond length still exceeds the ‘formal’ single bond lengths. Comparisons of crystal bond lengths with ab initio derived bond lengths of an isolated nitroguanidine molecule and hydrogen-bonded clusters of nitroguanidine molecules suggest that observed bond-length abnormalities are caused by intermolecular forces in the crystal. The crystal is orthorhombic, with a = 17.6390(5), b = 24.8730(7), c = 3.5903(1) Å, V = 1575.19 Å3, Z = 16, and D calc = 1.736 g cm−3.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009519703355
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  • 6
    Electronic Resource
    Electronic Resource
    Structure and thermal stability of zinc–nickel electrodeposits (1999)
    Springer
    Journal of applied electrochemistry 29 (1999), S. 1045-1051 
    Details
    ISSN: 1572-8838
    Keywords: electrodeposition ; structure ; thermal stability ; zinc–nickel
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Electrical Engineering, Measurement and Control Technology
    Notes: Abstract ZnNi alloys were electrodeposited from a chloride bath on steel substrates. The effect of nickel bath concentration on chemical composition, structure and microstructure of the deposits is demonstrated. From 0 to 13 nickel, the phases obtained do not correspond to that reported on the thermodynamic phase diagram. It is shown that the substitution of zinc by nickel is responsible for the formation of distorted ηd and γd phases corresponding to the supersaturated hexagonal η phase of zinc and to the unsaturated cubic γ phase of Zn–Ni alloy, respectively. Differential scanning calorimetry indicates that the thermal instability of the alloys containing up to 13 wt of nickel, results from the crystallization of the δ phase from the ηd and γd phases at around 200 °C and 250 °C, respectively.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1003574625112
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  • 7
    Electronic Resource
    Electronic Resource
    Structure of a deaza dimer of 4-methyl-3H-1,2,4-triazole-3,5(4H)-dione (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 15-18 
    Details
    ISSN: 1572-8854
    Keywords: Crystal structure ; dimer ; triazole
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound crystallizes in the monoclinic space group, P21/n; a = 9.0024(5), b = 5.8135(3), c = 15.2232(8) Å, β = 91.153(4)° Z = 4; and R = 0.050 based on 853 observed, unique reflections. The structure consists of two fused five-membered triazole rings, oriented relative to each other at 152°.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009558912034
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  • 8
    Electronic Resource
    Electronic Resource
    Crystal structures of two substituted biphenyl derivatives: 5,5′-di t-butyl-2-2′-biphenyldiol and 5,5′-dimethyl-2,2′-biphenyldiol (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 157-161 
    Details
    ISSN: 1572-8854
    Keywords: Crystal structure ; biphenyl ; mutual orientation ; strong H-bonds
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract 5,5′-Di t-butyl-2,2′-biphenyldiol (I), C20H26O2, crystallizes in the orthorhombic space group P212121 with a = 18.243(2), b = 9.947(2), c = 9.685(3) Å, and Z = 4; 5,5′-dimethyl-2,2′-biphenyldiol (II), C14H14O2, crystallizes in the monoclinic space group P21/c with a = 9.959(2), b = 7.932(3), c = 15.392(2) Å, β = 105.43(2)°, and Z = 4. The aromatic rings are tilted by 52.7(1) and 43.8(1)° to each other in compounds (I) and (II), respectively. Strong intra- and inter-molecular H-bonds connect the molecules in the crystals.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009509808535
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  • 9
    Electronic Resource
    Electronic Resource
    Crystal structure and spectroscopic study of bis{1,3-bis[3-(5-amino-1,2,4-triazolyl)]triazenido-N′4,N2,N″4}nickel(II) tetrahydrate (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 299-308 
    Details
    ISSN: 1572-8854
    Keywords: Triazole ; triazene ; Ni(II) ; structure ; spectroscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound [Ni(batt)2]·4H2O, in which Hbatt is 1,3-bis[3-(5-amino-1,2,4-triazolyl)]triazene, has been prepared and its crystal structure determined by X-ray diffraction methods. The compound crystallizes in the tetragonal space group I4/m (a = 10.5645(8) Å, c = 9.1336(6) Å, and Z = 2). The Ni(batt)2 molecule has local 4¯ symmetry, but it is located on a crystallographic 4/m site and is disordered over the mirror plane. The ligand batt− is tridentate with nitro-type coordination of the triazenido group and N4 coordination of the two outer triazolyl substituents. The complex has a distorted octahedral geometry with meridional configuration of the two nearly planar batt− ligands. The geometry of the tridentate cavity is examined and a comparison is made with the Ni-terpyridyl system, which shows similar coordination around the nickel center. The FTIR, micro-Raman, and UV-vis spectra are analyzed in relation with the structure.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009521817873
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  • 10
    Electronic Resource
    Electronic Resource
    Synthesis, spectroscopic studies, and crystal structure of tris(tetra-n-butylammonium) hexakisisothiocyanatoindate(III) (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 317-321 
    Details
    ISSN: 1572-8854
    Keywords: Crystal structure ; indium complexes ; isothiocyanate complexes ; octahedral coordination
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The reaction of a 1:10 molar ratio between indium chloride and tetra-n-butylammonium thiocyanate in ethanol affords the complex [(n-C4H9)4N]3[In(NCS)6] (1), the structure of which has been established by X-ray diffraction. This compound crystallizes in the cubic space group Pa3¯ with eight formula units in the unit cell. The formula unit consists of three separate cationic tetra-n-butylammonium groups and an independent hexakisisothiocyanatoindium anionic group. The six near linear thiocyanate ligands coordinate octahedrally through the nitrogen atom to the indium metal center. The coordination of the n-butyl groups to the ammonium-nitrogen atom is tetrahedral. The complex has also been characterized by IR, 1H and 13C NMR, physical properties, and X-ray powder analysis.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009525918781
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  • 11
    Electronic Resource
    Electronic Resource
    Crystal structure of triethylentetraammonium bis monohydrogen-monophosphate dihydrate β-NH3(CH2)2NH2(CH2)2NH2(CH2)2NH3(HPO4)2·2H2O (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 1287-1290 
    Details
    ISSN: 1572-8854
    Keywords: organic phosphate ; structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The salt triethylentetraammonium bis monohydrogen-monophosphate dihydrate is orthorhombic Pbca with unit cell dimensions a = 8.963(2), b = 10.326(2), c = 17.381(4)Å; Z = 4; Dm = 1.540 g cm−3; D x = 1.562 g cm−3. The examination of the structure shows a layer arrangement parallel to the $${\bar c}$$ axis: planes of [HPO4]2− tetrahedra alternate with planes of [(NH3(CH2)2NH2CH2)2]4+. The [HPO4]2− tetrahedra are connected through O(W)s--H···O hydrogen bonds, so that infinite chains of the composition [HPO4(H2O)]n 2n− are formed in the structure parallel to the $${\bar b}$$ axis. The structure of this compound is built from [HPO4]2− anions, [(NH3(CH2)2NH2CH2)2]4+ cations and zeolitic water molecules connected by hydrogen bonds.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009513225242
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  • 12
    Electronic Resource
    Electronic Resource
    Crystal structures of a series of 3,8-di[-2-aryl-1-azenyl]-1,3,6,8-tetraazabicyclo[4.4.1]undecanes (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 145-156 
    Details
    ISSN: 1572-8854
    Keywords: Crystal structure ; bicycloundecane ; triazene ; bis-triazene ; nitro substituent ; carboalkoxy substituent ; π–π stacking
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of a series of 3,8-di[-2-aryl-1-azenyl]-1,3,6,8-tetraazabicyclo[4.4.1]undecanes (1–5) have been determined by single crystal X-ray diffraction analysis. In all five compounds, the tetraazabicycloundecane portion of the molecule assumes a cage-like, folded structure with the aryltriazene moieties aligned approximately parallel; the structure is held in the folded configuration by either intramolecular or intermolecular π–π stacking forces. Crystal data: 1 C19H22N10O4, monoclinic space group P21/c, a = 10.1846(7), b = 9.9556(7), c = 20.819(2) Å, β = 98.725(1)°, V = 2086.5 (3) Å3, Z = 4; 2 C23H28N8O4, triclinic, space group Pī, a = 6.7064(7), b = 12.9662(14), c = 14.054(2) Å, α = 94.796(2), β = 91.621(2), γ = 104.836(2)°, V = 1175.7(2) Å3, Z = 2; 3 C19H22N10O4, monoclinic, space group P21/c, a = 14.237(2), b = 13.520(2), c = 11.5805(12) Å, β = 113.514(2)°, V = 2044.0(4) Å3, Z = 4; 4 C21H22N10, monoclinic, space group C2/c, a = 54.247(3), b = 11.5531(7), c = 12.9670(7) Å, β = 95.710(1)°, V = 8086.4(8) Å3, Z = 16; 5 C25H32N8 04, monoclinic, space group P21/c, a = 10.2908(7), b = 16.5687(12), c = 15.1662(10) Å, β = 94,188(1)°, V = 2579.0(3) Å3, Z = 4.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009557724465
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  • 13
    Electronic Resource
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    Synthesis and crystal structure of 4,5-dibromo[2.1.1]triblattene (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 351-354 
    Details
    ISSN: 1572-8854
    Keywords: Crystal structure ; dibromotriblattene
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Reaction of 4-bromopentacyclo[7.3.0.02,7.03,11.06,10]dodec-11-ene (1) with Br2—CCl4 afforded 4,4,5-tribromopentacyclo[7.3.0.02,7.03,11.06,10]dodecane (2) in 89–94% yield. Subsequent treatment of 2 with KOt-Bu-t-BuOH resulted in competitive elimination of the elements of HBr and of Br2 with concomitant formation of 4,5-dibromopentacyclo[7.3.0.02,7.03,11.06,10]dodec-11-ene (3, 76%) and 1 (17%), respectively. The structure of 3 was established unequivocally via application of X-ray crystallographic methods. Crystal data for 3: monoclinic, C2/c, a = 9.895(1), b = 9.0963(7), c = 12.471(1) Å, β = 106.875(8)°, z = 4.
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    URL: http://dx.doi.org/10.1023/A:1009538321507
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  • 14
    Electronic Resource
    Electronic Resource
    Crystal structure of triethylentetraammonium bis monohydrogenmonophosphate dihydrate, [NH3(CH2)2NH2(CH2)2NH2(CH2)2NH3](HPO4)2 · 2H2O (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 541-545 
    Details
    ISSN: 1572-8854
    Keywords: organic phosphate ; structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The salt triethylentetraammonium bis monohydrogenmonophosphate dihydrate is monoclinic with the following unit cell dimensions: a = 8.462(1), b = 10.500(1), c = 9.520 Å, β = 99.297(1)°, space group P21/n with Z = 2. The structure was solved by the Patterson method and refined to final R value of 0.043 for 1590 independent reflections. The structure consists of infinite parallel two-dimensional [ $$\bar 1$$ 01] planes built of mutually connected ions and water molecules by strong O—H· · ·O and N—H· · ·O hydrogen bonding.
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    URL: http://dx.doi.org/10.1023/A:1009588517216
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  • 15
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    Kinetics and mechanism of the preparation of Raney® copper (1999)
    Springer
    Journal of applied electrochemistry 29 (1999), S. 1085-1094 
    Details
    ISSN: 1572-8838
    Keywords: dealloying ; focussed ion beam ; selective dissolution ; skeletal catalysts ; structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Electrical Engineering, Measurement and Control Technology
    Notes: Abstract Raney® copper is an active hydrogenation catalyst formed by the selective dissolution of aluminium from a Cu–Al alloy. The structure of Raney® copper is presented in a series of images taken using a focussed ion beam miller (FIB). The images show a structure consisting of a uniform three-dimensional network of fine copper ligaments. A rotating disc electrode, used to control the diffusion layer, enabled a study of the kinetics of the leaching reaction at 269–303 K in 2–8 m NaOH. Under these conditions, the reaction rate was constant and independent of hydroxide concentration. The activation energy for leaching was determined as 69±7 kJ mol−1. The mixed corrosion potential of the dissolving alloy has been related to the exposed copper surface area, which in turn is dependent on the leaching rate and the mechanism of rearrangement. The overall mechanism of formation/rearrangement of the Raney® copper structure was found to be mainly dissolution/redeposition of copper atoms, with surface or volume diffusion, or possibly both, playing a minor role.
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    URL: http://dx.doi.org/10.1023/A:1003637410133
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  • 16
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    Structural and spectral studies of binuclear copper(II) 2-acetylpyridine 3-azacyclothiosemicarbazones with sulfato bridges (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 1089-1095 
    Details
    ISSN: 1572-8854
    Keywords: binuclear ; copper(II) ; sulfato bridges ; structure ; 3-azacyclothiosemicarbazone
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Structures of two binuclear copper(II) complexes with sulfato bridges and tridentate 2-acetylpyridine 3-azacyclothiosemicarbazone ligands have been solved. The complexμ-sulfato-bis{(2-acetylpyridine 3-hexamethyleneiminyl-thiosemicarbazonato)copper(II)} N,N-dimethylformamide, [Cu(Achexim)]2SO4·DMF, has the following structural properties: triclinic, P1¯(#2), a = 12.314(4), b = 15.885(4), c = 10.959(4) Å, α = 103.25(2), β = 103.60(2), γ = 109.94(2)°, V = 1843(2) Å3, and Z = 2; for μ-sulfato-bis{(2-acetylpyridine 3-piperidylthiosemicarbazonato)copper(II)}chloroform, [Cu(Acpip)]2SO4·CHCl3: triclinic, P1¯(#2), a = 11.657(1), b = 17.101(2), c = 10.338(1) Å, α = 98.51(1), β = 109.294(7), γ = 107.016(9)°, V = 1790.3(4) Å3, and Z = 2. The size of the azacyclo ring significantly affects the stereochemistry of these binuclear complexes.
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    URL: http://dx.doi.org/10.1023/A:1009501623403
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  • 17
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    Crystal structure of 2-(1-o-xylen-4′-yl-2-hydroxy-5-oxo-benzo[c]pyrroline) carboxylic acid, C17H15NO4 (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 1173-1186 
    Details
    ISSN: 1572-8854
    Keywords: pyrroline derivative ; structure ; polymeric chains
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound crystallizes in the space group P21/c, with a = 8.555(2), b = 22.109(2), c = 16.768(2) Å, and β = 90.25(2)°, with two independent molecules in the asymmetric unit, dissimilar only for the orientation of the xylenyl group. There is no conjugation between the pyrroline ring and the xylenyl group. The molecules in the asymmetric unit are enantiomers, thus constituting a racemic dimer. The molecules are linked in chains by hydrogen bonds.
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    URL: http://dx.doi.org/10.1023/A:1009547415439
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  • 18
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    Synthesis and crystal structure of a new lithium cyclohexaphosphate hydrate: Li6P6O18·10H2O (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 323-327 
    Details
    ISSN: 1572-8854
    Keywords: Crystal structure ; cyclohexaphosphate ; hydrate
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The synthesis and crystal structure of a novel hydrate of lithium cyclohexaphosphate are reported. Li6P6O18·10H2O crystallizes in the space group C2/c with a = 15.113(5), b = 12.006(2), c = 15.892(2) Å, β = 122.85(2)°, and Z = 4. The structure consists of P6O18 ring layers stacked along the c direction in between which are located the lithiumions and water molecules. Two LiO4 tetrahedra share common edges with LiO5 pseudosquare pyramids to form two independant Li3O9 units. About 50% of the water molecules have fractional occupancy rates and form fragments of molecules. A linear relationship is established between the relative cell volume V/Z and the hydration degree, n, for all the known hydrates: Li6P6O18·nH2O.
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    URL: http://dx.doi.org/10.1023/A:1009577902852
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  • 19
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    Synthesis and structure of a bis(ethynyl)-substituted oxahexacyclic cage ether (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 347-349 
    Details
    ISSN: 1572-8854
    Keywords: Crystal structure ; pentacycloundecane ; triple bonds
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Intramolecular dehydration of a cage-diol results in the title compound. This crystallizes in the monoclinic space group P21/c; a = 8.6403(8), b = 9.5698(7), c = 14.062(1) Å β = 107.47(7)° and Z = 4.
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    syn,E-1-cyclopentano-4-ethyl-3-thiosemicarbazone and syn,E-1-cyclopentano-4-phenyl-3-thiosemicarbazone (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 429-434 
    Details
    ISSN: 1572-8854
    Keywords: structure ; thiosemicarbazide ; infrared ; nmr ; hydrogen-bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structures of two thiosemicarbazones are described: syn,E-1-cyclopentano-4-ethyl-3-thiosemicarbazone (1) and syn,E-1-cyclopentano-4-phenyl-3-thiosemicarbazone (2). Crystal data: for 1: tetragonal, P43 (#78), a = b = 8.922(7) Å, c = 12.899(13) Å, and Z = 4; for 2: monoclinic a = 15.163(18) Å, b = 7.482(5) Å, c = 12.467(15) Å, β = 119.04(7)°, and Z = 4. In 1, molecules are linked by hydrogen-bonding into infinite chains with non-planar 9-ring subunits in which thioamides interact with the H—N—C—N—N groups of neighbors. Thioamide groups in 2 form dimers linked by N—B···HS hydrogen-bonds with a planar 8-ring as in solid state structures of carboxylic acids. The semicarbazide syn conformation fosters formation of N—H···N intramolecular hydrogen-bonding in each structure. The solid state structures are consistent with their infrared and proton nuclear magnetic resonance spectra.
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    URL: http://dx.doi.org/10.1023/A:1009515111029
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    A cobalt(II) complex with the N,N,O-tridentate ligand 6-amino-5-formyl-1,3-dimethyluracilato-benzoyl-hydrazone (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 283-286 
    Details
    ISSN: 1572-8854
    Keywords: Crystal structure ; complexes ; cobalt ; benzoylhydrazone
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of bis-(6-amino-5-formyl-1,3-dimethyluracilato benzoylhydrazone)cobalt(II) dimethylformamide solvate is described. This compound crystallizes in the triclinic system, space group P1¯, Z = 2 with a = 9.7368(8), b = 12.346(1), c = 17.184(1) Å, α = 78.372(6), β = 74.585(6), γ = 71.113(5)°, and V = 1869.0(3) Å3. The coordination polyhedron around the metal ion displays a slightly flattened M(NNO)2 octahedral shape. Both ligands bind in a trident fashion through the benzoylic oxygen atom, the hydrazone nitrogen atom closer to the uracil ring, and the deprotonated nitrogen atom of the amino group. The two ligands exhibit quite different conformations: one of them is almost planar, whereas the other is severely twisted.
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    URL: http://dx.doi.org/10.1023/A:1009565600126
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    [CuL(H2O)2]{[CuL][Fe(CN)6]}2·2H2O (L=3,10-Bis(2-hydroxyethyl)-1,3,5,8,10,12-hexaazacyclotetradecane): A Novel Three-Dimensional Coordination Polymer via H-Bonded Linkages of One-Dimensional Zigzag Chain (1999)
    Springer
    Journal of inorganic and organometallic polymers and materials 9 (1999), S. 165-178 
    Details
    ISSN: 1572-8870
    Keywords: Coordination polymer ; cyanide-bridged bimetallic assemblies ; structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract A complex with the formula [CuL(H2O)2]{[CuL][Fe(CN)6]}2·2H2O, where L=3,10-bis(2-hydroxyethyl)-1,3,5,8,10,12-hexaazacyclotetradecane, has been synthesized and crystallographically characterized. The structure is composed of a one-dimensional zigzag chain of $$\left\{ {[{\text{CuL}}][{\text{Fe(CN)}}_{\text{6}} ]} \right\}_2^{2 - } $$ units, and [CuL(H2O)2]2+ units. The one-dimensional zigzag chain extents through $${\text{Cu}}{\kern 1pt} - {\kern 1pt} {\text{CN}} - {\kern 1pt} {\text{Fe}}{\kern 1pt} - {\kern 1pt} {\text{CN}} - {\kern 1pt} {\text{Cu}}$$ linkages. The adjacent two polymer chains are linked by the $${\text{O}}{\kern 1pt} - {\kern 1pt} {\text{H}}{\kern 1pt} \cdot \cdot \cdot {\kern 1pt} {\text{N}}{\kern 1pt} \equiv {\kern 1pt} {\text{C}}{\kern 1pt} - $$ hydrogen bonding between [CuL(H2O)2]2+ and [Fe(CN)6]3−, forming a 3D supramolecular structure with inner hydrophilic channels. Magnetic susceptibility measurements show no exchange interaction between the Cu(II) and Fe(III) ions due to the longer $${\text{Cu}}{\kern 1pt} - {\kern 1pt} {\text{N}}$$ (axial) bond length.
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    Molecular Dynamics Simulation of Mg2+ and Ca2+ Ions in Water (1999)
    Springer
    Journal of solution chemistry 28 (1999), S. 1113-1126 
    Details
    ISSN: 1572-8927
    Keywords: Ionic aqueous solutions ; structure ; thermodynamic properties ; self-diffusion coefficients ; molecular reorientation ; computer simulation ; intermolecular potentials
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Molecular dynamics simulations of single Mg2+ and Ca2+ ions in water have been carried out. Different ion-water potentials from the literature have been used, whereas the same water potential, a rigid simple point charged model, has been considered in all the simulations. Structural, thermodynamic, and dynamic properties have been calculated, and the results for different potentials have been compared with available experimental data. The study includes ion–water radial distribution functions, coordination numbers, solution enthalpies, hydration free energies, self-diffusion coefficients, and reorientational times of water molecules in the hydration shells.
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    URL: http://dx.doi.org/10.1023/A:1021799524182
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    Three-Dimensional Analysis of CD6 Site-Directed Mutagenesis and Monoclonal Antibody Binding Studies Using the X-ray Structure of Mac-2 Binding Protein and a Molecular Model of the CD6 Ligand Binding Domain (1999)
    Springer
    Journal of molecular modeling 5 (1999), S. 263-270 
    Details
    ISSN: 0948-5023
    Keywords: Binding site ; Critical residues ; Crystal structure ; Model building ; Monoclonal antibodies ; Mutagenesis ; Receptor-ligand interactions
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The extracellular region of CD6 consists of three scavenger receptor cysteine-rich (SRCR) domains and binds activated leukocyte cell adhesion molecule (ALCAM), a member of the immunoglobulin superfamily (IgSF). Residues important for the CD6-ALCAM interaction have previously been identified by mutagenesis. A total of 22 CD6 residues were classified according to their importance for anti-CD6 monoclonal antibody (mAb) and/or ALCAM binding. The three-dimensional structure of the SRCR domain of Mac-2 binding protein has recently been determined, providing a structural prototype for the SRCR protein superfamily. This has made a thorough three-dimensional analysis of CD6 mutagenesis and mAb binding experiments possible. Mutation of buried residues compromised both mAb and ALCAM binding, consistent with the presence of structural perturbations. However, several residues whose mutation affected both mAb and ALCAM binding or, alternatively, only ligand binding were found to map to the surface in the same region of the domain. This suggests that the CD6 ligand binding site and epitopes of tested mAbs overlap and provides an explanation for the finding that these mAbs effectively block ALCAM binding. An approximate molecular model of CD6 was used to delineate the ALCAM binding site.
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    URL: http://dx.doi.org/10.1007/s0089490050263
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    On the Logical Positivists' Theory of Truth: The Fundamental Problem and a New Perspective (1999)
    Springer
    Journal for general philosophy of science 30 (1999), S. 101-130 
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    ISSN: 1572-8587
    Keywords: concept of truth ; criterion of truth ; protocol sentence ; linguistic framework ; formal and material mode of speech ; ontology ; structure ; logical syntax ; semantics ; internal and external questions ; existence ; fact ; reality ; world ; Carnap ; Hempel ; Neurath ; Schlick
    Source: Springer Online Journal Archives 1860-2000
    Topics: Philosophy , Nature of Science, Research, Systems of Higher Education, Museum Science
    Notes: Abstract The present article purports to show that the protocol sentence debate, pursued by some leading members of the Vienna Circle in the mid-1930s, was essentially a controversy over the explanation and the real significance of the concept of truth. It is further shown that the fundamental issue underlying the discussions about the concept of truth was the relationship between form and content, as well as between logic/language and the world. R. Carnap was the philosopher who most explicitly and systematically attempted to come to grips with this problem. It is shown that the form-content distinction pervades the three most important phases of Carnap's philosophical development: the structuralist (in Der logische Aufbau der Welt), the syntactical and the semantical. His final semantical stance is essentially determined by the concept of linguistic frameworks. The article purports to demonstrate that this concept cannot be dispensed with in philosophy, but that Carnap failed to work out its ontological implications. Finally, the concept of an internal ontology is briefly delineated.
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    URL: http://dx.doi.org/10.1023/A:1008286204460
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    Physico-chemical characterization of meglumine antimoniate (1999)
    Springer
    BioMetals 12 (1999), S. 63-66 
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    ISSN: 1572-8773
    Keywords: meglumine antimoniate ; structure ; leishmaniasis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology
    Notes: Abstract The leishmanicidal drug, meglumine antimoniate (MA), has been synthesized by the reaction of antimony oxyhydrated and N-methyl glucamine. Infrared and solid state NMR 13C analysis of MA and the ligand strongly suggests that antimony binds to N-methyl glucamine through the oxygen of C-3 carbon. Potentiometric titration indicated that, between pH 4.5 and 7.5, MA exists in the zwitterionic form
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    An infrared spectroscopic and single-crystal X-ray study of malayaite, CaSnSiO5 (1999)
    Springer
    Physics and chemistry of minerals 26 (1999), S. 546-553 
    Details
    ISSN: 1432-2021
    Keywords: Key words Malayaite ; Infrared spectroscopy ; Crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Abstract Powder infrared spectroscopy and X-ray diffraction techniques on single crystals were used to study the thermal behaviour of malayaite, CaSnSiO5. Infrared spectra show a discontinuity in the temperature evolution of phonon frequencies and absorbance near 500 K. However, crystal structure data collected at 300, 450, 550, 670, and 750 K show no evidence of a symmetry-breaking phase transition and no split positions. The most obvious change with heating is a tumbling motion of the SnO6 octahedra and an increase of the anisotropic displacement factors of Ca. The thermal evolution of the mean-square vibrational amplitude of the Ca atom shows a pronounced change in slope near 500 K. The evidence suggests that the 500 K anomaly in malayaite is more similar in character to the 825 K (β-γ) transition as opposed to the 496 K (α-β) transition in synthetic titanite.
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    URL: http://dx.doi.org/10.1007/s002690050218
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    Characterization of metal-substituted Klebsiella aerogenes urease (1999)
    Springer
    JBIC 4 (1999), S. 468-477 
    Details
    ISSN: 1432-1327
    Keywords: Key words Urease ; Nickel ; X-ray absorption spectroscopy ; Metal substituted ; Crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology
    Notes: Abstract  Urease possesses a dinuclear Ni active site with the protein providing a bridging carbamylated lysine residue as well as an aspartyl and four histidyl ligands. The apoprotein can be activated in vitro by incubation with bicarbonate/CO2 and Ni(II); however, only ∼15% forms active enzyme (Ni-CO2-ureaseA), with the remainder forming inactive carbamylated Ni-containing protein (Ni-CO2-ureaseB). In the absence of CO2, apoprotein plus Ni(II) forms a distinct inactive Ni-containing species (Ni-urease). The studies described here were carried out to better define the metal-binding sites for the inactive Ni-urease and Ni-CO2-ureaseB species, and to examine the properties of various forms of Co-, Mn-, and Cu-substituted ureases. X-ray absorption spectroscopy (XAS) indicated that the two Ni atoms present in the Ni-urease metallocenter are coordinated by an average of two histidines and 3–4 N/O ligands, consistent with binding to the usual enzyme ligands with the lysine carbamate replaced by solvent. Neither XAS nor electronic spectroscopy provided evidence for thiolate ligation in the inactive Ni-containing species. By contrast, comparative studies of Co-CO2-urease and its C319A variant by electronic spectroscopy were consistent with a portion of the two Co being coordinated by Cys319. Whereas the inactive Co-CO2-urease possesses a single histidyl ligand per metal, the species formed using C319A apoprotein more nearly resembles the native metallocenter and exhibits low levels of activity. Activity is also associated with one of two species of Mn-CO2-urease. A crystal structure of the inactive Mn-CO2-urease species shows a metallocenter very similar in structure to that of native urease, but with a disordering of the Asp360 ligand and movement in the Mn-coordinated solvent molecules. Cu(II) was bound to many sites on the protein in addition to the usual metallocenter, but most of the adventitious metal was removed by treatment with EDTA. Cu-treated urease was irreversibly inactivated, even in the C319A variant, and was not further characterized. Metal speciation between Ni, Co, and Mn most affected the higher of two pK a values for urease activity, consistent with this pK a being associated with the metal-bound hydrolytic water molecule. Our results highlight the importance of precisely positioned protein ligands and solvent structure for urease activity.
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    Van der Waals Radii of Hydrogen in Gas-Phase and Condensed Molecules (1999)
    Springer
    Structural chemistry 10 (1999), S. 395-400 
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    ISSN: 1572-9001
    Keywords: Hydrogen ; van der Waals radius ; structure ; gas-phase ; solid
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Van der Waalsa radii of hydrogen in the different gas-phase and condensed molecules are determined and shown that a value of the van der Waals radius depends on the effective charge of the H atom. Is described also the van der Waals anisotropy of H in some molecules.
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    Enthalpic Relaxation of 25Na2O·xTiO2·(75-x)SiO2 Glasses (1999)
    Springer
    Journal of thermal analysis and calorimetry 55 (1999), S. 155-164 
    Details
    ISSN: 1572-8943
    Keywords: DSC ; glass ; relaxation ; structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The enthalpic relaxation of the title glasses, studied by differential scanning calorimetry, is well described by a mathematical model based on the stretched exponential relaxation function with the relaxation time proportional to the actual viscosity. The dependence of viscosity on temperature and the fictive temperature was expressed by Mazurin's approximation. The relaxation parameters obtained correlated significantly with the glass composition, indicating the changes in the structural of the TiO2 role near a TiO2 content of 3–4 mol%.
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    Role of Fe(III) in Fe(II)citrate-mediated peroxidation of mitochondrial membrane lipids (1999)
    Springer
    Molecular and cellular biochemistry 196 (1999), S. 163-168 
    Details
    ISSN: 1573-4919
    Keywords: Fe(II)citrate ; free radicals ; iron ; lipid peroxidation ; mitochondria ; reactive oxygen species
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Medicine
    Notes: Abstract In this report we study the effect of Fe(III) on lipid peroxidation induced by Fe(II)citrate in mitochondrial membranes, as assessed by the production of thiobarbituric acid-reactive substances and antimycin A-insensitive oxygen uptake. The presence of Fe(III) stimulates initiation of lipid peroxidation when low citrate:Fe(II) ratios are used (≤ 4:1). For a citrate:total iron ratio of 1:1 the maximal stimulation of lipid peroxidation by Fe(III) was observed when the Fe(II):Fe(III) ratio was in the range of 1:1 to 1:2. The lag phase that accompanies oxygen uptake was greatly diminished by increasing concentrations of Fe(III) when the citrate:total iron ratio was 1:1, but not when this ratio was higher. It is concluded that the increase of lipid peroxidation by Fe(III) is observed only when low citrate:Fe(II) ratios were used. Similar results were obtained using ATP as a ligand of iron. Monitoring the rate of spontaneous Fe(II) oxidation by measuring oxygen uptake in buffered medium, in the absence of mitochondria, Fe(III)-stimulated oxygen consumption was observed only when a low citrate:Fe(II) ratio was used. This result suggests that Fe(III) may facilitate the initiation and/or propagation of lipid peroxidation by increasing the rate of Fe(II)citrate-generated reactive oxygen species.
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    Mitochondrial and mitochondia-related nuclear genetic function in rabbit urinary bladder following reversal of outlet obstruction (1999)
    Springer
    Molecular and cellular biochemistry 197 (1999), S. 161-172 
    Details
    ISSN: 1573-4919
    Keywords: outlet obstruction ; bladder ; mitochondria ; transcription ; RNA
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Medicine
    Notes: Abstract Partial outlet obstruction of the rabbit urinary bladder causes increased tissue hypertrophy and decreased contractility of that organ; we showed that, in an experimental rabbit model, both correlate closely with alterations in the status and expression of mitochondrial (mt), and mt-related nuclear, genetic parameters in bladder smooth muscle. Here we investigate the rate and overall level of recovery of mt and nuclear genetic function following reversal of outlet obstruction in the same animal model. Release from outlet obstruction at 28 days resulted in improvement in both level of hypertrophy and contractile function in all bladders studied. However, bladders fell into two groups based on whether relative copy mt genome number per cell was above or below that of unobstructed controls. Bladders with high mt DNA content adjusted organellar genome copy number toward normal post-reversal but did not properly adjust mt transcript levels; mt-related nuclear transcripts in these samples showed recovery. Bladders with low mt DNA content showed no adjustment of those levels toward normal post-reversal but did show some adjustment in other mt and nuclear genetic parameters. Thus, a limiting factor for return of normal bladder function following reversal of outlet obstruction may be recovery of normal mt genetic performance.
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    Molecular characterisation of a NADH ubiquinone oxidoreductase subunit 5 from Schistosoma mansoni and inhibition of mitochondrial respiratory chain function by testosterone (1999)
    Springer
    Molecular and cellular biochemistry 202 (1999), S. 149-158 
    Details
    ISSN: 1573-4919
    Keywords: NADH Q oxidoreductase ; S. mansoni ; testosterone ; mitochondria
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Medicine
    Notes: Abstract Complementary DNA, encoding the mitochondrial enzyme NADH-ubiquinone oxidoreductase subunit 5 (SmND5) of the human parasite Schistosoma mansoni was isolated by screening an S. mansoni cDNA library with a human androgen receptor (hAR) cDNA probe. The complete nucleotide and deduced aminoacid sequences of SmND5 were determined. Southern blot analysis revealed the occurrence of a single copy gene for SmND5 and by means of RT-PCR, it was shown that sex- and stage-specific expression of SmND5 occurred. In order to establish a functional relationship between the mitochondrial enzyme and the androgen receptor, the effects of testosterone were compared to those of classical respiratory chain inhibitors, using adult schistosome and beef heart submitochondrial particles. Physiological concentrations of testosterone were able to inhibit the maintenance of proton gradient across the mitochondrial membranes, as well as ATP synthesis. The steroid was found to be cytotoxic to the larvae, but not to adult schistosomes. A model is proposed to explain the observed in vivo testosterone-related differences in worm burdens, in experimental chronic infections.
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    Evolution of pyruvate carboxylase and other biotin containing enzymes in developing rat liver and kidney (1999)
    Springer
    Molecular and cellular biochemistry 200 (1999), S. 111-117 
    Details
    ISSN: 1573-4919
    Keywords: pyruvate carboxylase ; perinatal development ; rat ; biotin ; gluconeogenesis ; mitochondria
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Medicine
    Notes: Abstract The evolution of pyruvate carboxylase has been studied in rat liver and kidney during perinatal development. The pyruvate carboxylase activity, amount of enzyme and mRNA levels have been assayed from 2 days before delivery to weaning. In liver, there is a peak of activity and amount of enzyme 24 h before delivery and 2 peaks, at 12 h and 6 days, after parturition. The transcription of the enzyme gene followed a similar pattern, with mRNA peaks preceding those of activity and amount of enzyme. However, in kidney, pyruvate carboxylase activity, amount and mRNA remain low until weaning. These results confirm the limited role of renal gluconeogenesis during the perinatal development. Since all carboxylases contain biotin as prosthetic group, the biotinylation of pyruvate carboxylase during the perinatal period was investigated by western-blot using streptavidin-biotin peroxidase. In the mitochondrial samples from liver and kidney, all the pyruvate carboxylase detected was fully biotinylated, indicating an early development of the holocarboxylase synthetase activity in the perinatal period. This Western-blot technique also allowed us the detection of other biotin-enzymes based on their molecular weight. In liver, during the perinatal development propionyl-coA and 3-methyl-crotonyl-coA carboxylases followed a pattern of induction similar to pyruvate carboxylase. In kidney, the expression of mitochondrial carboxylases was lower compared to liver and propionyl-coA carboxylase was not detected during the studied period
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    Mixed-bonded open-framework aluminophosphates and related layered materials (1999)
    Springer
    Topics in catalysis 9 (1999), S. 93-103 
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    ISSN: 1572-9028
    Keywords: mixed-bonded ; aluminophosphates ; open-framework ; layered ; synthesis ; structure ; hydrothermal ; solvothermal
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The structural features, the synthesis and the role of templates in the synthesis for mixed-bonded open-framework aluminophosphates and related layered materials will be reviewed in this article. These aluminophosphate materials differ from the (4,2)-connected aluminophosphates and zeolites in that they contain TO5 and/or TO6 primary building units or terminal T-O bonds (T stands for Al or P). The extra ligands for the TO5 and TO6 units in the aluminophosphates with framework Al/P = 1 are either bridging OH groups or H2O molecules in most cases whereas the terminal T-O bonds are either P-OH or P=O species with P=O bonds being prevalent in layered aluminophosphates. Most of TO5 or TO6 containing aluminophosphates are prepared using a cyclic amine or a diamine as the structure directing agent (template), and the aluminophosphates with Al/P〈1 or the layered materials tend to form from an alcoholic medium. Both synthetic conditions and templates play a critical role in determining the composition and structural feature of these materials.
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    Simulation of meteorological fields over a land-water-land terrain and comparison with observations (1999)
    Springer
    Boundary layer meteorology 91 (1999), S. 227-257 
    Details
    ISSN: 1573-1472
    Keywords: Coastal boundary layer ; Initialisation ; Mesoscale model ; Sea model breeze ; Thermal internal boundary layer ; Turbulence
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A numerical two-dimensional-mesoscale model with a level 1.5 closure scheme for turbulence is described. The model is used to simulate the boundary layer over coastal complex terrain. Meteorological data available from the Øresund land-sea-land terrain experiment are used to study the performance of the model. The model could simulate generally observed complexities in the mean wind and temperature fields. Internal boundary layers over the water and land surfaces were identified by the height of lowest value in the turbulence kinetic energy profile and this showed good agreement with radiosonde (RS) observations. Some disagreements with the data were also noticed, especially near the surface. The wind speed was over-predicted. Attempts were made to improve the model performance by adopting different schemes for model initialisation. Results showed that initialisation with an early model start time and observed wind profile near the inflow boundary improved the performance. The wind speed over-prediction could be further minimised by using a more realistic objective initialisation scheme. The problem centred around the proper estimation of the turbulent diffusion coefficient K through the closure scheme. Despite using the most popular empirical relationships in the level 1.5 closure scheme, these differences persisted. While this needs further investigation, the present model can be used to supply wind fields for practical purposes such as air pollution calculations.
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    The Effects of Probe-Induced Flow Distortion on Velocity Covariances: Field Observations (1999)
    Springer
    Boundary layer meteorology 91 (1999), S. 483-493 
    Details
    ISSN: 1573-1472
    Keywords: Turbulence ; Flow distortion ; Sonic anemometers
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract We carried out measurements to test a simple theory of the effect of probe-induced flow distortion on turbulence measurements. We used two three-component sonic anemometers mounted 1.8m apart at a height of 6.7 m. Behind one was a horizontal circular cylinder of radius 0.15 m and length 1.2 m, chosen to model two-dimensional probe-induced flow distortion in the limit where the scale of the turbulence is very large compared to the scale of the probe. The second sonic anemometer measured the undistorted flow. The measured flow-distortion effects on the Reynolds shearing stress and the variances of streamwise and vertical velocity agree well with the theory.
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    Turbulence in a Katabatic Flow (1999)
    Springer
    Boundary layer meteorology 92 (1999), S. 37-63 
    Details
    ISSN: 1573-1472
    Keywords: Energy balance ; Glacier ; Katabatic flow ; Stable boundary layer ; Turbulence
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Turbulence measurements performed in a stable boundary layer over the sloping ice surface of the Vatnajökull in Iceland are described. The boundary layer, in which katabatic forces are stronger than the large-scale forces, has a structure that closely resembles that of a stable boundary layer overlying a flat land surface, although there are some important differences. In order to compare the two situations the set-up of the instruments on an ice cap in Iceland was reproduced on a flat grass surface at Cabauw, the Netherlands. Wind speed and temperature gradients were calculated and combined with flux measurements made with a sonic anemometer in order to obtain the local stability functions φm and φh as a function of the local stability parameter z/L. Unlike the situation at Cabauw, where φm was linear as a function of z/L, in the katabatically forced boundary layer, the dependence of φm on stability was found to be non-linear and related to the height of the wind maximum. Thermal stratification and the depth of the stable boundary layer however seem to be rather similar under these two different forcing conditions. Furthermore, measurements on the ice were used to construct the energy balance. These showed good agreement between observed melt and components contributing to the energy balance: net radiation (supplying 55% of the energy), sensible heat flux (30%) and latent heat flux (15%). Local sources and sinks in the turbulent kinetic energy budget are summed and indicate a reasonable balance in near-neutral conditions but not in more stable situations. The standard deviation of the velocity fluctuations σu, σv, and σw, can be scaled satisfactorily with the local friction velocity u* and the standard deviation of the temperature fluctuation σθ with the local temperature scale θ*.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1001744822857
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    Large-Scale Motions in the Marine Atmospheric Surface Layer (1999)
    Springer
    Boundary layer meteorology 92 (1999), S. 165-183 
    Details
    ISSN: 1573-1472
    Keywords: Coherent structures ; Turbulence ; Surface layer
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Multi-level turbulent wind data from the Risø Air-Sea Experiments (RASEX) were used to examine the structure of large-scale motions in the marine atmospheric surface layer. The quadrant technique was used to identify flux events (ejections/sweeps). Ejections, which appear to occur in groups, are seen to occur first at the upper level, moving successively to lower levels with small time delays. A strong correlation between events at different heights suggests that they may all be part of a single large structure. Cross-correlation between velocity signals was used to estimate orientation of the structure using Taylor's hypothesis. The inclination of this structure is shallow (≃ 15°) near the surface and increases with height. Spatial representations of the fluctuating wind vectors show a structure that is strikingly similar to conceptual models of transverse vortices and shear layers seen in laboratory flows and direct numerical simulation (DNS) of low Reynolds number flows. Spatial visualization of velocity fluctuations during other time periods and conditions clearly shows the existence of shear layers, transverse vortices, plumes, and downdrafts of various sizes and strengths. A quantitative analysis shows an increase in the frequency of shear related events with increasing wind speed.
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    URL: http://dx.doi.org/10.1023/A:1001837729368
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    Intercomparison of Three- and one-Dimensional Model Simulations and Aircraft Observations of Stratocumulus (1999)
    Springer
    Boundary layer meteorology 92 (1999), S. 453-487 
    Details
    ISSN: 1573-1472
    Keywords: Closure models ; Drizzle ; Entrainment ; Large Eddy Simulation ; Observations ; Stratocumulus ; Turbulence
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract As part of the EUropean Cloud REsolving Modelling (EUCREM) model intercomparison project we compared the properties and development of stratocumulus as revealed by actual observations and as derived from two types of models, namely three-dimensional Large Eddy Simulations (LES) and one-dimensional Single Column Models (SCMs). The turbulence, microphysical and radiation properties were obtained from observations made in solid stratocumulus during the third flight of the first 'Lagrangian' experiment of the Atlantic Stratocumulus Transition Experiment (ASTEX). The goal of the intercomparison was to study the turbulence and microphysical properties of a stratocumulus layer with specified initial and boundary conditions. The LES models predict an entrainment velocity which is significantly larger than estimated from observations. Because the observed value contains a large experimental uncertainty no definitive conclusions can be drawn from this. The LES modelled buoyancy flux agrees rather well with the observed values, which indicates that the intensity of the convection is modelled correctly. From LES it was concluded that the inclusion of drizzle had a small influence (about 10%) on the buoyancy flux. All SCMs predict a solid stratocumulus layer with the correct liquid water profile. However, the buoyancy flux profile is poorly represented in these models. From the comparison with observations it is clear that there is considerable uncertainty in the parametrization of drizzle in both SCM and LES.
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    URL: http://dx.doi.org/10.1023/A:1002006919256
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    Mitochondrial involvement in bladder function and dysfunction (1999)
    Springer
    Molecular and cellular biochemistry 194 (1999), S. 1-15 
    Details
    ISSN: 1573-4919
    Keywords: mitochondria ; benign bladder disease ; transcription ; DNA replication ; ATP
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Medicine
    Notes: Abstract Benign bladder pathology resulting from prostatic hypertrophy or other causes is a significant problem associated with ageing in humans. This condition is characterized by increased bladder mass, decreased urinary flow rate, decreased compliance, and these and other changes in bladder function often subject patients to increased risk of urinary tract infection. While the physiologic attributes of benign bladder pathology have been extensively described in humans and in various animal model systems, the biochemical and molecular genetic bases for that pathology have only recently been investigated in detail. Studies demonstrate that mitochondrial energy production and utilization are severely impaired in bladder smooth muscle during benign bladder disease, and to a large extent this realization has provided a rational basis for understanding the characteristic alterations in urinary flow and compliance in bladder tissue. Recent investigations targeting the detailed molecular basis for impaired mitochondrial function in the disease have shown that performance of the organellar genetic system, and to a large extent that of relevant portions of the nuclear genetic system as well, is severely aberrant in bladder tissue. In this article, we discuss the physiologic aspects of benign bladder disease, summarize biochemical evidence for the altered mitochondrial energy metabolism that appears to underlie bladder pathology, review the structure and function of the mitochondrial genetic system, and discuss molecular genetic studies of that system which have begun to provide a mechanistic explanation for the biochemical and physiological abnormalities that characterize the disease. We also discuss areas for further research which will be critically important in increasing our understanding of the detailed causes of benign bladder pathology.
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    URL: http://dx.doi.org/10.1023/A:1006983412952
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    Silicon Oxycarbide Glasses (1999)
    Springer
    Journal of sol gel science and technology 14 (1999), S. 7-25 
    Details
    ISSN: 1573-4846
    Keywords: black glass ; silicon oxycarbide ; Nicalon ; NMR ; Raman ; TEM ; high temperature stability ; surface chemistry ; network carbon ; elemental carbon ; structure ; free carbon ; FTIR ; nanocomposite ; silicon carbide
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The first attempts to introduce carbon into glass date back to 1951. But up until recently, the use of carbon or carbide raw materials, and the oxidation, volatilization and decomposition that accompany high temperature melting, have limited the synthesis of true silicon oxycarbide glasses. Here, the term silicon-oxycarbide refers specifically to a carbon-containing silicate glass wherein oxygen and carbon atoms share bonds with silicon in the amorphous, network structure. Thus, there is a distinction between black glass, which contains only a second-phase dispersion of elemental carbon, and oxycarbide glasses which usually contain both network carbon and elemental carbon. In addition to exploring the unique properties and applications of these glasses, per se, they are also of interest for developing models of the residual amorphous phases in polymer-derived silicon-carbide and silicon-nitride ceramics. The application of sol/gel techniques to glass synthesis has significantly advanced the development and characterization of silicon oxycarbide glasses. In this approach, alkyl-substituted silicon alkoxides, which are molecular precursors containing oxygen and carbon functionalities on the silicon, can be hydrolyzed and condensed without decomposition or loss of the carbon functional group. A low-temperature (〈1000°C) heat-treatment of the gel creates a glassy silicate material whose molecular structure consists of an oxygen/carbon anionic network. In addition, there is always a blackening of the material due to elemental carbon, which forms during pyrolysis and densification of the gel. The nature of the network carbon, and especially the distribution and form of the elemental carbon, are fundamental to the structure and properties of these novel materials. Their chemical and physical characteristics as revealed by NMR, Raman and TEM are discussed in the overview. In addition, the high temperature stability of these glasses (up to 1750°C), and the effect of hot-pressing, are described. It will be shown that the silicon oxycarbide network is stable up to 1000–1200°C. The network carbon is terminated with hydrogen (i.e., CH, =CH2 and –CH3), and with polyaromatic carbon (i.e., nC6Hx) wherein most of the elemental carbon resides. These glasses can be described as molecular composites of polyaromatic graphene-rings dispersed in a silicon oxycarbide network. After heating to temperatures in excess of 1000–1200°C, the oxycarbide network decomposes through the loss of hydrogen, and a two- or three-phase glass-ceramic consisting of nanocrystalline graphite, silicon carbide, and amorphous silica or cristobalite, is created. Some of the properties and applications of these glasses/glass-ceramics for coatings, composites and porous solids are summarized.
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    URL: http://dx.doi.org/10.1023/A:1008765829012
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    3D Monte Carlo Simulations of Diffusion Limited Cluster Aggregation up to the Sol-Gel Transition: Structure and Kinetics (1999)
    Springer
    Journal of sol gel science and technology 15 (1999), S. 129-136 
    Details
    ISSN: 1573-4846
    Keywords: simulation ; percolation ; aggregation ; structure ; kinetics
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Three-dimensional (3D) Monte Carlo simulations of diffusion limited cluster aggregation at different concentrations (φ) show a crossover from a flocculation regime at short times to a percolation regime close to the gel time (tg). Contrary to suggestions in the literature tg is independent of the system size (L) for large L. The structural and temporal crossovers between flocculation and percolation take place at characteristic values of the cluster mass (mc) and the time (tc) which depend on φ. After normalisation by these characteristic values the crossovers are independent of φ except for very small clusters and at short times. The concentration dependence of mc and tc indicates that the crossover takes place at a given cumulated volume fraction of the clusters independent of φ. At low concentrations the φ-dependence of tg is determined by the cluster growth in the flocculation regime.
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    URL: http://dx.doi.org/10.1023/A:1008735404991
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    Grafting of Aliphatic and Aromatic Probes on Bovine Serum Albumin: Influence on Its Structural and Physicochemical Characteristics (1999)
    Springer
    The protein journal 18 (1999), S. 325-336 
    Details
    ISSN: 1573-4943
    Keywords: BSA ; acylation ; sulfamidation ; structure ; hydrophobicity
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Bovine serum albumin was chosen as a model protein to study the effect of the functionalization of the ε-NH2 of lysine residues with different carbon chains on the physical properties of proteins. Thus, BSA has been acylated and sulfonylated by means of anhydrides and sulfonyl chlorides, respectively. The secondary structures of modified BSA, studied by far-UV CD, showed very slight changes except after sulfamidation. However, near-UV CD and intrinsic fluorescence spectra revealed important conformational perturbations for proteins bearing long carbon chains. Furthermore, the binding of an apolar probe (ANS) to BSA revealed an improvement of surface hydrophobicity after modification. Meanwhile, Scatchard plot results indicate that only 20% of the hexanoyl carbon chains lie at the surface of the proteins. Solvent conditions should influence the exposure of these chains and consequently the surface hydrophobicity of proteins.
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    URL: http://dx.doi.org/10.1023/A:1021043529923
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    Molecular Properties of a Hemagglutinin Purified from Type A Clostridium botulinum (1999)
    Springer
    The protein journal 18 (1999), S. 29-38 
    Details
    ISSN: 1573-4943
    Keywords: Botulinum ; circular dichroism ; Clostridium ; hemagglutinin ; IR spectroscopy ; mass spectroscopy ; protein ; structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Clostridium botulinum causes the food poisoning disease botulism by producing botulinum neurotoxin, the most potent toxin known. The neurotoxin is produced along with a group of neurotoxin-associated proteins, or NAPs, which protect it from the low pH and proteases of the gastrointestinal tract. Recently, we isolated one of the major components of NAPs, a 33-kDa hemagglutinin (Hn-33) [Fu et al. (1998), J. Protein Chem. 17, 53–60]. In this study, we present molecular properties of Hn-33 derived from several biochemical and biophysical techniques. Hn-33 in pure form requires a 66-fold lower concentration of sugar inhibition of its hemagglutination activity than in its complexed form with the neurotoxin and other NAPs. However, its protease resistance is not affected by sugar binding. Based on FT-IR and circular dichroism (CD) analysis, Hn-33 is a predominantly β-sheet protein (74–77%). Hn-33 analysis by laser desorption mass spectrometry and size exclusion column chromatography reveals that it exists predominantly in a dimeric form in the aqueous solution. Even a very low concentration of SDS (0.05%) irreversibly destroyed the biological activity of Hn-33 by changing its secondary structure as revealed by far-UV CD analysis.
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    Letter to the Editor: Assignment of the 1H, 15N, and 13C resonances of the C-terminal domain of frataxin, the protein responsible for Friedreich ataxia (1999)
    Springer
    Journal of biomolecular NMR 15 (1999), S. 87-88 
    Details
    ISSN: 1573-5001
    Keywords: ataxia ; mitochondrial protein ; neurodegenerative disease ; structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1008398832619
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    Structural definition of arabinomannans from Mycobacterium bovis BCG (1999)
    Springer
    Glycoconjugate journal 16 (1999), S. 257-264 
    Details
    ISSN: 1573-4986
    Keywords: mycobacteria ; BCG ; polysaccharide ; arabinomannan ; structure ; AMs: arabinomannans ; ANDS: aminonaphthalene disulfonate ; APTS: 1-aminopyrene-3,6,8-trisulfonate ; Araf: arabinofuranose ; BCG: Bacille de Calmette et Guérin ; cAMs, cManAMs: cellular AMs, cellular ManAMs ; CZE: capillary electrophoresis ; HMBC: heteronuclear multiple bond correlation ; HMQC: heteronuclear multiple quantum correlation ; LAMs: lipoarabinomannans ; HOHAHA: homonuclear Hartman Hahn correlation ; LMs: lipomannans ; MALDI-TOF: Matrix-assisted laser desorption-ionization - time of flight ; ManAMs: mannose-capped arabinomannans ; ManLAMs: mannose-capped lipoarabinomannans ; Manρ: mannopyranose ; pAMs, pManAMs ; parietal AMs, parietal ManAMs ; PI anchor: phosphatidyl-myo-inositol anchor ; 1D: one-dimensional ; 2D: two-dimensional ; 6-α-Manρ represents →6Manρα1→
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The structures of the hydrophilic parietal and cellular arabinomannans isolated from Mycobacterium bovis BCG cell wall [Nigou et al. (1997) J Biol Chem 272: 23094–103] were investigated. Their molecular mass as determined by MALDI-TOF mass spectrometry was around 16kDa. Concerning cap structure, capillary electrophoresis analysis demonstrated that dimannoside (Manρα1→2Manρ) was the most abundant motif (65–75%). Using two-dimensional 1H-13C NMR spectroscopy, the mannan core was unambiguously demonstrated to be composed of →6Manρα1→ backbone substituted at some O-2 by a single Manρ unit. The branching degree was determined as 84%. Finally, arabinomannans were found to be devoid of the phosphatidyl-myo-inositol anchor and, by aminonaphthalene disulfonate tagging, the mannan core was shown to contain a reducing end. This constitutes the main difference between arabinomannans and lipoarabinomannans from Mycobacterium bovis BCG.
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    URL: http://dx.doi.org/10.1023/A:1007046609341
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    Neutron Diffraction Study of Cement (1999)
    Springer
    Journal of porous materials 6 (1999), S. 95-99 
    Details
    ISSN: 1573-4854
    Keywords: cement ; structure ; water ; phase transition ; diffraction
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Abstract Neutron diffraction studies of the static structure factor S(Q) of water confined in the pore space of cement samples have been carried out for temperatures from 170 to 293 K. At high temperatures, when the water in the pores is liquid, a fraction of the water molecules are strongly bound to specific adsorption sites on the crystalline components of the cement. On cooling, the water in the pore space solidifies at 245 K into a cubic structure different from that of bulk water at similar temperatures.
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    Preparation and Properties of Woodceramic Thin Films (1999)
    Springer
    Journal of porous materials 6 (1999), S. 227-231 
    Details
    ISSN: 1573-4854
    Keywords: woodceramics ; thin film ; resistivity ; transmittance ; structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Abstract Woodceramic thin films were prepared onto alumina sheet and glass slide substrates by conventional radio frequency sputtering in an argon plasma. A woodceramic disk, 100 mm in diameter, sintered at 850°C was used as a target. The deposition rate was about 90 nm/h for 200 W input power. Remarkable differences were observed in the characteristics of films depending on the substrate temperature. Films prepared below 100°C had insulating properties, ρ 〉 106 Ω cm, and had transmission in the visible region (λ 〉 600 nm), and had smooth surfaces. Increasing the substrate temperature causes sharp a decrease in the film resistivity and the growth of grain was 3–5 μm. The film prepared at 300°C had semiconductor characteristics with an energy gap of about 0.05 eV.
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    Three-dimensional structure of scorpion toxins: Towards a new model of interaction with potassium channels (1999)
    Springer
    Perspectives in drug discovery and design 15-16 (1999), S. 41-60 
    Details
    ISSN: 1573-9023
    Keywords: dipole moment ; neurotoxin ; NMR ; potassium channel ; scorpion ; structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Scorpion venom contains various toxins which block ion-channels, responsible for either sodium, potassium, calcium or chloride membrane permeation. This review focuses on the three-dimensional structure of scorpion toxins specific for potassium channels, and on their structure–activity relationships. The overall fold of all these toxins is similar, despite their various specificities towards different types of potassium channels. Fine studies of the influence of punctual mutations of both toxins and channels have converged on a precise description of the scorpion toxins functional maps. From this knowledge, it now becomes possible to predict the specificity of a newly described scorpion toxin. The way is thus now open that leads to the design of new potent synthetic potassium channel blockers which in turn could be used as therapeutic drugs.
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    MaxiK channels: Molecular structure, function, and tissue distribution (1999)
    Springer
    Perspectives in drug discovery and design 15-16 (1999), S. 155-165 
    Details
    ISSN: 1573-9023
    Keywords: α- and β-subunits ; Ca2+-sensitivity ; function ; MaxiK channels ; structure ; tissue distribution
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
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    URL: http://dx.doi.org/10.1023/A:1017099624406
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    Mitochondria Present in Excised Patches From Pancreatic B-cells May Form Microcompartments With ATP-Dependent Potassium Channels (1999)
    Springer
    Bioscience reports 19 (1999), S. 89-98 
    Details
    ISSN: 1573-4935
    Keywords: KATP channels ; pancreatic B-cells ; mitochondria ; patch-clamp technique
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology
    Notes: Abstract Experiments with inside-out patches excised from pancreatic B-cells have yielded evidence that mitochondria are often contained in the cytoplasmic plug protruding into the tip of patch pipette. When intact B-cells were loaded with the fluorescent mitochondrial stain, rhodamine 123, and membrane patches excised from these cells, a green fluorescence could be observed in the lumen at the tip of the patch pipette. The same result was obtained with the mitochondrial stain, MitoTracker Green FM, which is only fluorescent in a membrane-bound state. Furthermore, the open probability of ATP-dependent potassium (KATP) channels in inside-out patches was influenced by mitochondrial fuels and inhibitors. Respiratory substrates like tetramethyl phenylene diamine (2 mM) plus ascorbate (5 mM) or α-ketoisocaproic acid (10 mM) reduced the open probability of KATP channels in inside-out patches significantly (down to 57% or 65% of control, respectively). This effect was antagonized by the inhibitor of cytochrome oxidase, sodium azide (5 mM). Likewise, the inhibitor of succinate dehydrogenase, malonate (5 mM), increased the open probability of KATP channels in the presence of succinate (1 mM). However, oligomycin in combination with antimycin and rotenone did not increase open probability. Although it cannot be excluded that these effects result from a direct interaction with the KATP channels, the presence of mitochondria in the close vicinity permits the hypothesis that changes in mitochondrial metabolism are involved, mitochondria and KATP channels thus forming functional microcompartments.
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    Sensitivity Analysis of Pharmacokinetic and Pharmacodynamic Systems: I. A Structural Approach to Sensitivity Analysis of Physiologically Based Pharmacokinetic Models (1999)
    Springer
    Journal of pharmacokinetics and pharmacodynamics 27 (1999), S. 577-596 
    Details
    ISSN: 1573-8744
    Keywords: sensitivity analysis ; structure ; physiologically based pharmacokinetic model ; transfer function ; frequency response
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Based on a frequency response approach to the sensitivity analysis of pharmacokinetic models, the concept of structural sensitivity is introduced. The core of this concept is the factorization of the system sensitivity into two multipliers. The first one, called structural sensitivity index, has an analytical form, which depends solely on the structure and connectivity of the system and does not depend on the drug administered or the factor perturbed. The second multiplier, the parameter sensitivity index, depends on the drug properties, the tissue of interest and the parameter perturbed, but is largely independent of the structure of the system. The structural and parametric sensitivity indices can be evaluated and analyzed separately. The most important feature of the proposed approach is that the conclusions drawn from the analysis of the structural sensitivity index are valid across all mammalian species, as the latter share a common anatomical and physiological structure. The concept of structural sensitivity is illustrated on the commonly used structure of the whole body physiologically based pharmacokinetic models by showing that the factorization of the sensitivity carried out arises naturally from the mechanism of the distribution of perturbations throughout the organism. The concept of structural sensitivity has interesting practical implications. It enables the formal proof of relationships and facts that have been observed previously. Moreover, the conclusions drawn introduce in fact a ranking of the tissues or subsystems with respect to their impact on the model outputs. From this ranking, direct recommendations regarding the design of experiments for whole-body physiologically based pharmacokinetic models are derived.
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    Reconstitution of the Mitochondrial ATP-Dependent Potassium Channel into Bilayer Lipid Membrane1 (1999)
    Springer
    Journal of bioenergetics and biomembranes 31 (1999), S. 159-163 
    Details
    ISSN: 1573-6881
    Keywords: KATP-channel ; solubilization ; mitochondria ; bilayer lipid membrane ; reconstruction
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Physics
    Notes: Abstract Electrical properties and regulation of the mitochondrialATP-dependent potassium channel were studied. The channel protein wassolubilized from the mitochondrial membrane using an ethanol/water mixture.Reconstituted into a bilayer lipid membrane BLM), the protein formed aslightly voltage-dependent channel with a conductance of 10 pS in 100 mM KCl.Often, several channels worked simultaneously (clusters) when many channelswere incorporated into the BLM. The elementary channel and the clusters wereboth highly potassium selective. At concentrations of 1 to 10 μM, ATPfavors channel opening, while channels become closed at 1–3 mM ATP. GDP(0.5 mM) reactivated the ATP-closed channels without affecting the untreatedchannels. The sulfhydryl-reducing agent ditiothreitol increased the openprobability at concentrations of 1 to 3 mM, but damaged the selectivity ofthe channel.
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    A History of the First Uncoupling Protein, UCP1 (1999)
    Springer
    Journal of bioenergetics and biomembranes 31 (1999), S. 399-406 
    Details
    ISSN: 1573-6881
    Keywords: Brown adipose tissue ; mitochondria ; uncoupling protein ; UCP1 ; transport ; nucleotide ; fatty acid
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Physics
    Notes: Abstract The lack of energy conservation in brown adipose tissue mitochondria when prepared byconventional methods was established in the 1960s and was correlated with the thermogenicfunction of the tissue. In order to observe energy conservation, two requirements had to bemet: the removal of the endogenous fatty acids and the addition of a purine nucleotide. Thesetwo factors have been the essential tools that led to the discovery of the energy dissipationpathway, the uncoupling protein UCP1. The activity is regulated by these two ligands. Purinenucleotides bind from the cytosolic side of the protein and inhibit transport. Fatty acids actas seconds messengers of noradrenaline and increase the proton conductance. This reviewpresents a historical perspective of the steps that led to the discovery of UCP1, its regulation,and our current view on its mechanism of transport.
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    The Mechanisms of Fatty Acid-Induced Proton Permeability of the Inner Mitochondrial Membrane (1999)
    Springer
    Journal of bioenergetics and biomembranes 31 (1999), S. 447-455 
    Details
    ISSN: 1573-6881
    Keywords: Fatty acid ; uncoupling ; proton permeability ; adenine nucleotide translocase ; dicarboxylate carrier, glutamate/aspartate carrier ; permeability transition pore ; mitochondria
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Physics
    Notes: Abstract Nonesterified long-chain fatty acids have long been known as uncouplers of oxidativephosphorylation. They are efficient protonophores in the inner mitochondrial membrane but not so inartificial phospholipid membranes. In the un-ionized form, they undergo a rapid spontaneoustransbilayer movement (flip-flop). However, the transbilayer passage of the dissociated(anionic) form is hindered by the negatively charged hydrophilic carboxylic group. In theinner mitochondrial membrane, the transfer of fatty acid anions is mediated by the adeninenucleotide translocase, the dicarboxylate carrier, and the glutamate/aspartate carrier. As a result,the passage of protons and electric charges is a concerted effect of the spontaneous flip-flopof the undissociated (protonated) form in one direction and carrier-facilitated transfer of theionized (deprotonated) form in the other direction. In addition, fatty acids also promote openingof the mitochondrial permeability transition pore, presumably due to their interaction with oneof its constituents, the adenine nucleotide translocase, thus forming an additional route fordissipation of the proton gradient. Structural prerequisites for these proton-conductingmechanisms are (1) a weakly ionized carboxylic group and (2) a hydrocarbon chain of appropriatelength without substituents limiting its mobility and hydrophobicity.
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    Mitochondrial Redox Signaling during Apoptosis (1999)
    Springer
    Journal of bioenergetics and biomembranes 31 (1999), S. 327-334 
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    ISSN: 1573-6881
    Keywords: Apoptosis ; redox ; mitochondria ; E h ; ROS ; ASK-1 ; thioredoxin
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Physics
    Notes: Abstract The regulatory role of cellular redox state during apoptosis is still controversial. Early redoxsignaling can transduce divergent upstream signals to mitochondria and initiate apoptosis. Onthe other hand, release of mitochondrial cytochrome c triggers generation of reactive oxygenspecies (ROS) and renders apoptotic cells much more oxidized. Although the sequential caspaseactivation does not have apparent redox-sensitive components, redox signaling provides aseparate pathway that is parallel with the caspase cascade. The function of theapoptosis-associated redox change is uncertain. It could provide positive feedback mechanisms, such asactivating mitochondrial permeability transition and apoptosis signaling kinase (ASK-1). Sinceapoptotic cells are designated to be quickly eliminated, the dramatic cellular oxidation couldbe involved in the final degradation of apoptotic bodies and even the termination of theproteolytic activity after phagocytosis.
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    Mitochondrial Oxygen Radical Generation and Leak: Sites of Production in States 4 and 3, Organ Specificity, and Relation to Aging and Longevity (1999)
    Springer
    Journal of bioenergetics and biomembranes 31 (1999), S. 347-366 
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    ISSN: 1573-6881
    Keywords: Free radicals ; H2O2 ; complex I ; heart ; brain ; free-radical leak ; complex III ; mitochondria ; aging ; longevity
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Physics
    Notes: Abstract Studies in heart and nonsynaptic brain mitochondria from two mammals and three birds showthat complex I generates oxygen radicals in heart and nonsynaptic brain mitochondria in States4 and 3, whereas complex III does it only in heart mitochondria and only in State 4. Theincrease in oxygen consumption during the State 4 to 3 transition is not accompanied by aproportional increase in oxygen radical generation. This will protect mitochondria and tissuesduring bursts of activity. Comparisons between young and old rodents do not show a consistentpattern of variation in mitochondrial oxygen radical production during aging. However, allthe interspecies comparisons performed to date between different mammals, and betweenmammals and birds, agree that animals with high maximum longevities have low rates ofmitochondrial oxygen radical production, irrespective of the value of their basal specificmetabolic rate. The sites and mechanisms allowing this, the recently described low degree ofmembrane fatty acid unsaturation of longevous animals, and their relation to longevity andaging are discussed.
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    Anion Carriers in Fatty Acid-Mediated Physiological Uncoupling (1999)
    Springer
    Journal of bioenergetics and biomembranes 31 (1999), S. 431-445 
    Details
    ISSN: 1573-6881
    Keywords: Uncoupling ; thermoregulation ; mitochondria ; ATP/ADP antiporter ; aspartate/glutamate antiporter ; uncoupling proteins 1, 2, 3 ; plant uncoupling protein
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Physics
    Notes: Abstract Physiological aspects of uncoupling of oxidation and phosphorylation are reviewed in thecontext of involvement of mitochondrial anion carriers. It is assumed that the carriers facilitateelectrophoretic translation of fatty acid anion, RCOO-, from the inner to the outer leaflet ofthe mitochondrial membrane, whereas back movement of the protonated fatty acid, RCOOH,from the outer to the inner leaflet represents flip-flop of RCOOH via the phospholipid bilayerof the membrane. The RCOO- transport seems to be catalyzed by the ATP/ADP and aspartate/glutamate antiporters, dicarboxylate carrier, and uncoupling proteins (UCP1, UCP2, UCP3L,UCP3s, and plant UCP). The fatty acid uncoupling is shown to be involved in thethermoregulatory heat production in animals and plants exposed to cold, as well as in performance ofrespiratory functions other than ATP synthesis, i.e., formation of useful substances,decomposition of unwanted substances, and antioxidant defense. Moreover, partial uncoupling might takepart in optimization of the rate of ATP synthesis in aerobic cells.
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    Mitochondrial Proton Leak and the Uncoupling Proteins (1999)
    Springer
    Journal of bioenergetics and biomembranes 31 (1999), S. 517-524 
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    ISSN: 1573-6881
    Keywords: Proton leak ; uncoupling proteins ; UCP1 ; UCP2 ; UCP3 ; BMCP1 ; thermogenesis ; sequence homology ; mitochondria ; respiration
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Physics
    Notes: Abstract An energetically significant leak of protons occurs across the mitochondrial inner membranesof eukaryotic cells. This seemingly wasteful proton leak accounts for at least 20% of thestandard metabolic rate of a rat. There is evidence that it makes a similar contribution tostandard metabolic rate in a lizard. Proton conductance of the mitochondrial inner membranecan be considered as having two components: a basal component present in all mitochondria,and an augmentative component, which may occur in tissues of mammals and perhaps ofsome other animals. The uncoupling protein of brown adipose tissue, UCP1, is a clear exampleof such an augmentative component. The newly discovered UCP1 homologs, UCP2, UCP3,and brain mitochondrial carrier protein 1 (BMCP1) may participate in the augmentativecomponent of proton leak. However, they do not appear to catalyze the basal leak, as this isobserved in mitochondria from cells which apparently lack these proteins. Whereas UCP1plays an important role in thermogenesis, the evidence that UCP2 and UCP3 do likewiseremains equivocal.
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    Inactivation of the Reconstituted Oxoglutarate Carrier from Bovine Heart Mitochondria by Pyridoxal 5′-Phosphate (1999)
    Springer
    Journal of bioenergetics and biomembranes 31 (1999), S. 535-541 
    Details
    ISSN: 1573-6881
    Keywords: Oxoglutarate carrier ; pyridoxal 5′-phosphate ; transport ; proteoliposomes ; mitochondria
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Physics
    Notes: Abstract The effect of pyridoxal 5′-phosphate and some other lysine reagents on the purified,reconstituted mitochondrial oxoglutarate transport protein has been investigated. The inhibition ofoxoglutarate/oxoglutarate exchange by pyridoxal 5′-phosphate can be reversed by passing theproteoliposomes through a Sephadex column but the reduction of the Schiff's base by sodiumborohydride yielded an irreversible inactivation of the oxoglutarate carrier protein. Pyridoxal5′-phosphate, which caused a time- and concentration-dependent inactivation of oxoglutaratetransport with an IC50 of 0.5 mM, competed with the substrate for binding to the oxoglutaratecarrier (K i = 0.4 mM). Kinetic analysis of oxoglutarate transport inhibition by pyridoxal5′-phosphate indicated that modification of a single amino acid residue/carrier molecule wassufficient for complete inhibition of oxoglutarate transport. After reduction with sodiumborohydride [3H]pyridoxal 5′-phosphate bound covalently to the oxoglutarate carrier. Incubation ofthe proteoliposomes with oxoglutarate or L-malate protected the carrier against inactivationand no radioactivity was found associated with the carrier protein. In contrast, glutarate andsubstrates of other mitochondrial carrier proteins were unable to protect the carrier. Mersalyl,which is a known sulfhydryl reagent, also failed to protect the oxoglutarate carrier againstinhibition by pyridoxal 5′-phosphate. These results indicate that pyridoxal 5′-phosphateinteracts with the oxoglutarate carrier at a site(s) (i.e., a lysine residue(s) and/or the amino-terminalglycine residue) which is essential for substrate translocation and may be localized at or nearthe substrate-binding site.
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    Subunit f of the Yeast Mitochondrial ATP Synthase: Topological and Functional Studies (1999)
    Springer
    Journal of bioenergetics and biomembranes 31 (1999), S. 85-94 
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    ISSN: 1573-6881
    Keywords: yeast ; mitochondria ; ATP synthase ; ATP17 gene ; subunit f ; orientation ; cross-linking
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Physics
    Notes: Abstract Modified versions of subunit f were produced by mutagenesis of theATP17 gene of Saccharomyces cerevisiae. A version of subunit f devoid of thelast 28 amino acid residues including the unique transmembranous domaincomplemented the oxidative phosphorylation of the null mutant. However, atwo-fold decrease in the specific ATP synthase activity was measured andattributed to a decrease in the stability of the mutant ATP synthase complexas shown by the low oligomycin-sensitive ATPase activity at alkaline pH. Themodification or not by non-permeant maleimide reagents of cysteine residuesintroduced at the N and C termini of subunit f indicated aNin-Cout orientation. From the C terminus of subunit fit was possible to cross-link subunit 4 (also called subunit b), which isanother component of the F0 sector and which also displays a shorthydrophilic segment exposed to the intermembrane space.
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    The Role of the Amino-Terminal β-Barrel Domain of the α and β Subunits in the Yeast F1-ATPase (1999)
    Springer
    Journal of bioenergetics and biomembranes 31 (1999), S. 95-104 
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    ISSN: 1573-6881
    Keywords: F1-ATPase ; β-barrel domain ; mitochondria ; assembly ; yeast ; Saccharomyces cerevisiae
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Physics
    Notes: Abstract The crystal structure of mitochondrial F1-ATPase indicatesthat the α and β subunits fold into a structure defined by threedomains: the top β-barrel domain, the middle nucleotide-binding domain,and the C-terminal α-helix bundle domain (Abraham et al.1994); Bianchet et al., 1998). The β-barrel domains of theα and β subunits form a crown structure at the top ofF1, which was suggested to stabilize it (Abraham et al.1994). In this study. the role of the β-barrel domain in the α andβ subunits of the yeast Saccharomyces cerevisiae F1,with regard to its folding and assembly, was investigated. The β-barreldomains of yeast F1 α and β subunits were expressedindividually and together in Escherichia coli. When expressedseperately, the β-barrel domain of the β subunit formed a largeaggregate structure, while the domain of the α subunit waspredominately a monomer or dimer. However, coexpression of the β-barreldomain of α subunit domain. Furthermore, the two domains copurified incomplexes with the major portion of the complex found in a small molecularweight form. These results indicate that the β-barrel domain of theα and β subunits interact specifically with each other and thatthese interactions prevent the aggregation of the β-barrel domain of theβ subunit. These results mimic in vivo results and suggest thatthe interactions of the β-barrel domains may be critical during thefolding and assembly of F1.
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    On the Role of the General Transcription Factor Sp1 in the Activation and Repression of Diverse Mammalian Oxidative Phosphorylation Genes* (1999)
    Springer
    Journal of bioenergetics and biomembranes 31 (1999), S. 129-135 
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    ISSN: 1573-6881
    Keywords: mitochondria ; promoter ; transcription regulation ; Sp1 ; repressor
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Physics
    Notes: Abstract To gain insight into the role of the general transcription factor,Sp1, in the expression of nuclear genes involved in mitochondrial biogenesis,we investigated Sp1 activation of the adenine nucleotide translocator 2,cytochrome c1, F1-ATPase β subunit, and themitochondria transcription factor (mtTFA) promoters transfected intoDrosophila cell lines. The numbers and organization of GC elementsvary in the four promoters, but the magnitude of activation by coexpressedhuman Sp1 was similar. A feature common to the four promoters is the presenceof multiple, proximal Sp1-activating elements that account for 50% ormore of the transcription activation by Sp1. The distribution and function ofindividual distal Sp1 elements is less defined and appear to be morepromoter-specific. Finally, data from transfected Drosophila cellsprovide the first direct proof for the involvement of Sp1 in the negativeregulation of the ANT2 promoter and as a possible participant in repressionof the β-subunit promoter. The role of Sp1 in both the positive andnegative regulation of OXPHOS promoters is unique.
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    Activation and Deactivation of F0F1-ATPase in Yeast Mitochrondia (1999)
    Springer
    Journal of bioenergetics and biomembranes 31 (1999), S. 105-117 
    Details
    ISSN: 1573-6881
    Keywords: mitochondria ; F0F1 ATPase ; ATP synthase ; ATP hydrolysis ; IF1 ; yeast ; regulation ; inactivation ; proton gradient ; detergent
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Physics
    Notes: Abstract The regulation of membrane-bound proton F0F1ATPase by the protonmotive force and nucleotides was studied in yeastmitochondria. Activation occurred in whole mitochondria and the ATPaseactivity was measured just after disrupting the membranes with Triton X-100.Deactivation occurred either in whole mitochondria uncoupled with FCCP, or indisrupted membranes. No effect of Triton X-100 on the ATPase was observed,except a slow reactivation observed only in the absence of MgADP. BothAMPPNP and ATP increased the ATPase deactivation rate, thus indicating thatoccupancy of nucleotidic sites by ATP is more decisive than catalyticturnover for this process. ADP was found to stimulate the energy-dependentATPase activation. ATPase deactivated at the same rate in uncoupled anddisrupted mitochondria. This suggests that deactivation is not controlled byrebinding of some soluble factor, like IF1, but rather by the conversion ofthe F1.IF1 complex into an inactive form.
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    Mutation of K234 and K236 in the Voltage-Dependent Anion Channel 1 Impairs Its Insertion into the Mitochondrial Outer Membrane (1999)
    Springer
    Journal of bioenergetics and biomembranes 31 (1999), S. 137-142 
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    ISSN: 1573-6881
    Keywords: VDAC1 ; mitochondria
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Physics
    Notes: Abstract Previous in vitro studies indicated that mutation of bothK234 and K236 to arginine, glutamine, or glutamic acid impaired the abilityof the voltage-dependent anion channel (VDAC1) to insert into the outermembrane of the mitochondria (Smith et al. 1995). These same mutantswere expressed in a strain of Saccharomyces cerevisiae with adisruption in the VDAC1 gene. The mutant VDAC1 forms were found in themitochondria suggesting that they were correctly sorted to the outermembrane. However, only very small amounts of the mutants were inserted intothe mitochondrial membranes. Mitochondria isolated from the strains expressingthe mutants were capable of catalyzing the translocation of both wild-typeVDAC1 and pre-alcohol dehydrogenase III indicating that the translocationapparatus was functional. These results confirm the previously drawnconclusion that K234 and K236 are part of a membrane insertion motif. Thefailure of the mutant VDAC1 forms to insert did not cause VDAC1 precursors toaccumulate in the soluble cell cytoplasm or in the microsomal fraction. Theapparent lack of a “precursor pool” suggested that apost-transcriptional control mechanism might limit the amounts of VDAC1precursors in the cell. Such a control mechanism is consistent with theobservation that the amount of VDAC1 was very similar after epichromosomal(gene in a 2u plasmid controlled by a Gal1 promoter) and chromosomalexpression (endogenous gene controlled by the endogenous promoter).
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    Mutations in the Voltage-Dependent Anion Channel of the Mitochondrial Outer Membrane Cause a Dominant Nonlethal Growth Impairment (1999)
    Springer
    Journal of bioenergetics and biomembranes 31 (1999), S. 143-151 
    Details
    ISSN: 1573-6881
    Keywords: VDAC1 ; mitochondria
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Physics
    Notes: Abstract Point mutations at K234 and K236 in the yeast voltage-dependent anionchannel 1 (VDAC1) of the mitochondrial outer membrane have been shown tomarkedly impair the membrane insertion of this protein (Smith etal., 1995; Angeles et al., 1998). Mutants of this type wereexpressed in vivo in a strain of yeast with a disruption in theVDAC1 gene. Expression of the various VDAC1 forms was under the control of aGal1 promoter. Wild-type VDAC1 expression fully complemented the slow growthphenotype caused by the disruption. VDAC1 mutants in which K234 and K236 werereplaced by arginine, glutamate, or glutamine caused a more severe negativeeffect on growth. This effect appeared to be dominant since the mutant VDAC1forms suppressed growth in a yeast strain that retained its VDAC1 gene. Thisapparent dominant negative effect on growth did not seem to be specific forany stage of the cell cycle. However, the growth defect was not lethal as theaffected cells still could accumulate the vital stain, FUN1. Expression of amutant in which K234 had been replaced by glutamate had more serious negativegrowth effects than did a similar mutation at K236. Expression ofΔ71-116 VDAC1 complemented the VDAC1 disruption; however, expression ofthe same deletion mutant in which the lysines corresponding to K234 and K236were mutated to glutamate severely impaired growth. These results have shownthat a deficiency of lysine at positions 234 and 236 in VDAC1 causes anonlethal growth defect that is more severe than deletion of 45 amino acidsfrom VDAC1 or disruption of the VDAC1 gene. They also indicate that there is ahierarchy in the importance of these lysines with mutations at K234 being themore serious.
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    Mitochondrial Events in the Life and Death of Animal Cells: A Brief Overview (1999)
    Springer
    Journal of bioenergetics and biomembranes 31 (1999), S. 291-304 
    Details
    ISSN: 1573-6881
    Keywords: Cell death ; aging ; necrosis ; apoptosis ; mitochondria ; oxidative phosphorylation ; electron transport chain ; ATP synthase ; cytochrome c ; mitochondrial DNA ; reactive oxygen species (ROS)
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Physics
    Notes: Abstract Traditionally, mitochondria have been viewed as the “powerhouse” of the cell, i.e., the site of theoxidative phosphorylation machinery involved in ATP production. Consequently, much of theresearch conducted on mitochondria over the past 4 decades has focused on elucidating both thosemolecular events involved in ATP synthesis by oxidative phosphorylation and those involved inthe biogenesis of the oxidative phosphorylation machinery. While monumental achievements havebeen made, and continue to be made, in the study of these remarkable but extremely complexprocesses essential for the life of most animal cells, it has been only in recent years that a largebody of biological and biomedical scientists have come to recognize that mitochondria participatein other important processes. Two of these are cell death and aging which, not surprisingly, are relatedprocesses both involving, in part, the oxidative phosphorylation machinery. This new awareness hassparked a new and growing area of mitochondrial research, that has become of great interest to awide variety of scientists ranging from those involved in elucidating the role of mitochondria incell death and aging to those interested in either suppressing or facilitating these processes as itrelates to identifying new therapies or drugs for human disease. It is the purpose of this briefintroductory review to provide an overview of those mitochondrial events involved in the life anddeath of animal cells and to indicate how these events might relate to the human aging process.Much more is known, much remains controversial, and even more remains to be learned as indicatedin the excellent set of minireviews that follow.
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    Inhibitory Properties of Ruthenium Amine Complexes on Mitochondrial Calcium Uptake (1999)
    Springer
    Journal of bioenergetics and biomembranes 31 (1999), S. 551-557 
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    ISSN: 1573-6881
    Keywords: Calcium uniporter inhibitors ; mitochondria
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Physics
    Notes: Abstract The recent finding that the inhibition of Ca2+-stimulated respiration by ruthenium red is mainlydue to a binuclear ruthenium complex (Ru360) present in the commercial samples of the classicalinhibitor ruthenium red (Ying et. al., 1991), showed that this complex is the more potent andspecific inhibitor of the mitochondrial calcium uniporter. This work was aimed to provideinsights into the mechanism by which Ru360 and other ruthenium-related compounds inhibitscalcium uptake. Ruthenium red and a synthesized analog (Rrphen) were compared with Ru360.The inhibition by this binuclear complex was noncompetitive, with a K i of 9.89 nM. Thenumber of specific binding sites for Ru360 was 6.2 pmol/mg protein. Ruthenium red and Ru360were mutually exclusive inhibitors. Bound La3+ was not displaced by Ru360. Rrphen was theleast effective for inhibiting calcium uptake. The results support the notion of a specific bindingsite in the uniporter for the polycationic complexes and a negative charged region from thephospholipids in the membrane, closely associated with the uniporter inhibitor-binding site.
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    Cooperation of a “Reactive Oxygen Cycle” with The Q Cycle and The Proton Cycle in the Respiratory Chain—Superoxide Generating and Cycling Mechanisms in Mitochondria (1999)
    Springer
    Journal of bioenergetics and biomembranes 31 (1999), S. 367-376 
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    ISSN: 1573-6881
    Keywords: Superoxide generation ; protonmotive force dependent ; protonophore ; proton leak ; heat production ; ROS cycle ; mitochondria
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Physics
    Notes: Abstract Based on our recent findings concerning the generating, partitioning, targeting, and functioningof superoxide in mitochondria, a hypothetical model involving a “reactive oxygen cycle” inthe respiratory chain has been proposed (Liu and Huang, 1991, 1996; Liu et al., 1996; Liu,1997, 1998) This model emphasizes that during State 4 respiration, an interaction between anelectron leak (a branch of electron transfer directly from the respiratory chain to form O•- 2,but not H2O) and a proton leak (a branch pathway which utilizes $$\Delta \mu _{{\text{H}}^{\text{ + }} } $$ to produce heat, butnot ATP) may take place in cooperation with the Q and proton cycles in mitochondria throughthe consumption of H+ by O•- 2 anions to form a protonated perhydroxyl radical, HO2, whichis directly permeable across the inner mitochondrial membrane and induces proton leakageand a decrease of $$\Delta \mu _{{\text{H}}^{\text{ + }} } $$ . O•- 2 generation in the mitochondrial respiratory chain and its cyclingacross the inner membrane may have the role of an endogenous protonophore in regulating andpartitioning energy transduction and heat production, as well as in pathogenesis of mitochondrialdiseases, aging, and apoptosis. The present article summarizes the supporting experimentalevidence obtained in this laboratory and presents a brief description of the theoretical basisof this model
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    Characterisation and Simulation of the Multiscaling Properties of the Energy-Containing Scales of Horizontal Surface-Layer Winds (1999)
    Springer
    Boundary layer meteorology 90 (1999), S. 21-46 
    Details
    ISSN: 1573-1472
    Keywords: Atmospheric surface layer ; Longitudinal velocity fluctuations ; Multifractals ; Spectra ; Statistical analysis ; Turbulence
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The multiscaling statistics of atmospheric surface-layer winds at low wavenumbers above farmland and in the lee of a mountain range were examined using a hot-wire and lightweight cup anemometer. It was found that the horizontal velocity spectra could be broken into high and low-wavenumber regimes according to the parameters given by this analysis. The low-wavenumber end of the spectrum possessed a spectral slope parameter that varied between values of 0.8 and 1.35 at the farmland site during the period of the experiment, and the high-wavenumber end – corresponding to the inertial range – possessed a spectral slope slightly greater than -5/3. The larger values for this parameter for the low-wavenumber end appeared to coincide with unstable conditions. In the lee of the mountain range, the low-wavenumber spectral slope parameter was larger still, at 1.45. The low-wavenumber signals over farmland were much less intermittent than inertial-range signals, but in the lee of the mountain range the intermittency increased. From this analysis, it was shown that the statistical properties of the recorded wind signal could be reproduced using a bounded random multiplicative cascade. The model was successfully used to simulate the wind velocity field directly, rather than simulating the energy dissipation field. Since the spectral slope parameter for low wavenumbers appeared to be a function of atmospheric stability, the method presented is a simple way of generating wind signals characteristic of a variety of atmospheric conditions.
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    Observed Wind Profiles and Turbulence Fluxes over an ice Surface with Changing Surface Roughness (1999)
    Springer
    Boundary layer meteorology 92 (1999), S. 99-121 
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    ISSN: 1573-1472
    Keywords: Displacement height ; Ice surface roughness ; Katabatic flow ; Stable boundary layer ; Turbulence
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Wind profile and eddy-correlation data obtained at two sites on a melting glacier surface in Iceland during the summer of 1996 are presented. Throughout the experiment the surface roughness increased rapidly from smooth to very rough, with the largest roughness element height obtained being about 1.7 m. In a layer close to the rough surface we find that the wind speed profiles were disturbed showing horizontal inhomogeneities as in a roughness sublayer. Its height was approximately two times the height of the main roughness elements (h) at both sites throughout the experiment. From the wind profiles and eddy-correlation data we calculated corrections for the displaced zero plane as a function of time and compared these with results obtained from a drag partitioning model. In general, the agreement was reasonable considering the ranges of uncertainty but the results indicate that the increasing horizontal anisotropy of the surface probably limits the use of the model. The values obtained for the roughness lengths are in good agreement with those calculated from a simple linear model, i.e., z0/h = 0.5λ with λ the frontal area index. Above the roughness sublayer the wind profiles, normalised standard deviations of wind speed, and the balance of the turbulence kinetic energy budget behaved as over an ideal homogeneous surface thereby confirming similarity of the flow.
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    Steps, Waves and Turbulence in the Stably Stratified Planetary Boundary Layer (1999)
    Springer
    Boundary layer meteorology 90 (1999), S. 397-421 
    Details
    ISSN: 1573-1472
    Keywords: Gravity waves ; Planetary boundary layer ; Turbulence ; Wind structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The stably-stratified planetary boundary layer contains small-vertical-scale, step-like structures, waves on a multitude of scales, large horizontal eddies and small-scale turbulence, all of which constantly interact with, and modify, one another. Current knowledge of how the various components act in the vicinity of the step-like structures is surveyed. It is concluded that packets of internal waves are the main conduit for interaction within and across the boundary layer, and low-intensity critical-level absorption at the fringes of their spectrum probably maintains the step-like structures. Further investigation of the processes requires intensive observations of the four-dimensional structure of the region, but such an investigation will need a new generation of high-resolution sensing systems.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1001709029773
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    Nonlocal Turbulent Mixing Based on Convective Adjustment Concepts (Ntac) (1999)
    Springer
    Boundary layer meteorology 92 (1999), S. 263-291 
    Details
    ISSN: 1573-1472
    Keywords: Convective adjustment ; Turbulence ; Mixing ; Nonlocal mixing ; Parameterization ; Numerical weather prediction
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A nonlocal turbulent mixing parameterization is introduced in this study and denoted by the acronym NTAC, which stands for Nonlocal parameterization of Turbulent mixing using convective Adjustment Concepts. NTAC uses the average value of quantities in the turbulent domain in much the same way that local convective adjustment schemes use the average potential temperature. Averages are determined in the region with non-convective turbulence using information from the two end layers (denoted by TLA, Two Layer Average), while all layers contribute to the average in regions with convective turbulence (denoted by CLA, Convective Layer Average). The NTAC parameterization estimates the mixing percentage and uses this percentage as a mixing coefficient. These percentages are determined from a simplified turbulent kinetic energy equation. The scheme is versatile, conservative, and when programmed efficiently the proposed parameterization is a computationally acceptable nonlocal procedure that can be used in many existing numerical weather prediction forecast models. Numerical weather forecast model simulations using the NTAC parameterization and traditional K-theory are compared against radiosonde data. The accuracy of the proposed NTAC parameterization is found to be competitive with K theory. The greatest improvement of the NTAC over K-theory occurs during the daytime and early nighttime hours when (dry) convective activity is high. Also, areal cloud coverage is increased by the NTAC parameterization. Our findings show that the greatest nonlocal vertical mixing occurs between the layer nearest the earth's surface and the remaining layers making up the planetary boundary layer.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1002029909587
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    Effect of Dimboa, a Hydroxamic Acid from Cereals, on Peroxisomal and Mitochondrial Enzymes from Aphids: Evidence for the Presence of Peroxisomes in Aphids (1999)
    Springer
    Journal of chemical ecology 25 (1999), S. 2465-2475 
    Details
    ISSN: 1573-1561
    Keywords: Sitobion avenae ; Aphididae ; aphids ; hydroxamic acids ; DIMBOA ; catalase ; cytochrome c oxidase ; peroxisomes ; mitochondria ; xenobiotics
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology
    Notes: Abstract 2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one (DIMBOA), a hydroxamic acid involved in the resistance of cereals to aphids, was administered to adult individuals of the aphid Sitobion avenae in artificial diets. Effects on the cellular metabolism were inferred from the evaluation of several organelle marker enzymes. Catalase from peroxisomes and cytochrome c oxidase from mitochondria increased their activities about twofold when aphids were fed with 2 mM DIMBOA. The role of these enzymes in the metabolizing of xenobiotics by aphids is discussed. Biochemical and cytochemical evidences for the presence of peroxisomes in aphids are reported here for the first time.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1020870023736
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  • 76
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    Inclusion Compounds Formed by Triphenylmethanol: Structure, Guest Dynamics and Thermal Stability (1999)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 35 (1999), S. 431-449 
    Details
    ISSN: 1573-1111
    Keywords: Triphenylmethanol ; inclusion ; structure ; 2H NMR ; dynamics ; thermal stability
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The crystal structure of an inclusion compound formed by triphenylmethanol with di-methylformamide was determined (space group P1 with a = 898.8(3) pm, b = 1022.3 pm, c = 1177.3pm, α =104.57(1)°, β = 110.32(1)°, γ = 96.76(1)°, Z = 2 at T = 300 K). The structure of compounds formed with acetone and dimethylsulfoxide were rerefined. A new assignment for the acetone compound in space group P21/n allowed a better ordered description of the molecule. The structure of the dimethylsulfoxide compound at 100 K did not indicate a phase transition and reproduced basically the room temperature structure. The results were compared with the known structures of clathrates formed by triphenylmethanol with methanol and 1,4-dioxane. All triphenylmethanol inclusion compounds are unstable, and therefore their decomposition during heating was analysed by both thermalanalysis and X-ray powder diffraction. Vapor pressure measurements of the inclusion compounds were performed from 283 to 376 K. For the pure host no marked vapor pressure was detected in this temperature range with the setup used. From the logarithmic plots of vapor pressures versus temperature the heats of vaporization were determined. The dynamics of the deuterated guest molecules were studied by measurement of the temperature dependence of the 2H NMR signals derived from powder spectra in the range 120–335 K.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1008016520974
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  • 77
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    Synthesis and Characterization of a Polycrystalline Ionic Thin Film by Large-Scale Molecular-Dynamics Simulation (1999)
    Springer
    Interface science 7 (1999), S. 15-31 
    Details
    ISSN: 1573-2746
    Keywords: polycrystal ; ionic ; oxide ; molecular-dynamics ; simulation ; growth ; thin film ; structure ; characterization ; grain boundary
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract A simulation methodology for the synthesis of polycrystalline, ionic thin films is developed. The method involves the preparation of a polycrystalline substrate onto which a thin film is subsequently grown by crystallization from the melt. A detailed structural analysis of a textured sixteen-grain FeO film, with a grain size of approximately 4.7 nm, shows that the interiors of the grains are almost perfect single crystals with only a very few vacancies and no interstitials. The grains are delineated by 〈001〉 tilt grain boundaries; as expected, the low-angle grain boundaries in the film consist of arrays of dislocations, while the high-angle grain boundaries are relatively narrow and well ordered.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1008782230777
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    The Geometric and Thermodynamic Properties of Grain Boundary Junctions (1999)
    Springer
    Interface science 7 (1999), S. 251-271 
    Details
    ISSN: 1573-2746
    Keywords: triple junctions ; taxonomy ; dimensionality ; structure ; energy ; segregation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract We provide an overview of the properties of triple junctions and quadruple points. It is shown that these junctions may exhibit distinct behaviors that imply that they have and thermodynamically distinct properties in the same way that grain boundaries can be considered as thermodynamically distinct phases, separate from the material that they inhabit. It is shown that the treatment of triple junctions as thermodynamically distinct defects is a natural extension of the treatment of grain boundaries, and that it can be further extended to other junctions such as quadruple nodes. Equilibrium dihedral angles under conditions of anisotropic interfacial energy are explored, and it is found that the dihedral angles may be variable under a range of different conditions.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1008769209265
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