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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    European biophysics journal 21 (1992), S. 313-320 
    ISSN: 1432-1017
    Keywords: Monte Carlo ; Crystal water ; Structure refinement
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Physics
    Notes: Abstract The space in the unit cell of a metmyoglobin crystal not occupied by myoglobin atoms was filled with water using Monte Carlo calculations. Independent calculations with different amounts of water have been performed. Structure factors were calculated using the water coordinates thus obtained and the known coordinates of the myoglobin atoms. A comparison with experimental structure factors showed that both the low and the high resolution regime could be well reproduced with 814 Monte Carlo water molecules per unit cell with a B-value of 50 Å2. The Monte Carlo water molecules yield a smaller standard R-value (0.166) than using a homogeneous electron density for the simulation of the crystal water (R = 0.212). A reciprocal space refinement of the water and the protein coordinates has been performed. Monte Carlo calculations can be used to obtain information for crystallographically invisible parts of the unit cell and yield better coordinates for the visible part in the refinement.
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  • 2
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 96 (1992), S. 4008-4014 
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 71 (1992), S. 4082-4084 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Electrical contact resistivities of both Al and Cu single layer contacts as well as Cu/Au and Al/Au bilayer metal contacts to YBa2Cu3O7−x (YBCO) thin film have been studied. It was found that aluminum and copper make poor electrical contacts to YBCO due to interface reactions. These contacts have large contact resistivity (10−1–1 Ω cm2), orders of magnitude higher than that of a gold/YBCO contact (10−6 Ω cm2). When an ultrathin Au interlayer (10–30 A(ring)) was inserted between an Al or Cu overlayer and a YBCO film, interface reaction was greatly reduced. The contact resistivities of Al/Au and Cu/Au bilayer-metal contacts dropped by five orders of magnitude when Au interlayer thickness was increased from 0 to 10 A(ring). With the gold interlayer thickness of 15 A(ring), the Al/Au and Cu/Au bilayer-metal contacts reached a minimum contact resistivity, approaching that of a thick single-layer Au metal contact.
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  • 4
    Electronic Resource
    Electronic Resource
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 61 (1992), S. 616-616 
    ISSN: 1077-3118
    Source: AIP Digital Archive
    Topics: Physics
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  • 5
    ISSN: 1365-2958
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Biology , Medicine
    Notes: The adherence mechanisms of enteropathogenic Escherichia coli (EPEC) to epithelial cells are still not understood. To study the molecular basis of the diffuse adherence (DA) phenotype exhibited by diarrhoeagenic E. coli expressing classical EPEC serotypes we investigated strain 2787 (O126:H27) isolated from a case of infantile diarrhoea. A 6.0 kb plasmid-derrved DNA fragment mediates the DA phenotype and encodes the 100 kDa adhesin protein AIDA-I (adhesin involved in diffuse adherence). Sequencing of the entire fragment revealed two open reading frames which encoded proteins of 45 kDa and 132 kDa, respectively. The 132 kDa protein has been identified as an AIDA-I precursor protein. After cleavage of the signal sequence further processing at the C-terminus of the 132 kDa precursor leads to the mature ∼100 kDa AIDA-I. While the exact function of the cytopiasmic 45 kDa protein is not known, preliminary evidence indicates that it is necessary for the correct maturation of AIDA-I. The AIDA-l precursor exhibits significant homology with the virG(icsA) protein of Shigella flexneri which seems to be involved in the intercellular spread of invasive Shigella organisms.
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  • 6
    Electronic Resource
    Electronic Resource
    Springer
    Foundations of physics 22 (1992), S. 1217-1265 
    ISSN: 1572-9516
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The realist interpretations of quantum theory, proposed by de Broglie and by Bohm, are re-examined and their differences, especially concerning many-particle systems and the relativistic regime, are explored. The impact of the recently proposed experiments of Vigier et al. and of Ghose et al. on the debate about the interpretation of quantum mechanics is discussed. An indication of how de Broglie and Bohm would account for these experimental results is given.
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  • 7
    ISSN: 0941-1216
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Liquid Crystals with Aliphatic Groups between Cyclohexane Rings - Synthesis of 1,4-Bis(4-n-alkylcyclohexyl)butanes and Esters of 4-[4-(4-n-Alkylcyclohexyl)-butyl]cyclohexanolsThe synthesis of 1,4-bis-(4-n-alkylcyclohexyl) butanes (1), esters of 4-[-(4-n-alkylcyclohexyl)butyl]cyclohexanols (2) and some analogous aromatic compounds are described. The thermal stability of mesophases of these compounds are in the order of the analogous ethylene-bridged liquid crystals. The reason for this result seems to be the combination of molecular rigidity and conformational flexibility.
    Additional Material: 3 Tab.
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  • 8
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 608 (1992), S. 33-42 
    ISSN: 0044-2313
    Keywords: Diacylphosphines ; Di-cyclohexoylposphine ; Diadamant-1-oylphosphine ; keto-enol tautomerism ; NMR-parameters, thermodynamic data ; X-ray structure determination ; very short O‥H‥O bridge ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Acyl- and Alkylidenephosphines. XXXII. Di-cyclohexoyl- and Diadamant-1-oylphosphine - Keto-Enol Tautomerism and StructureLithium dihydrogenphosphide · DME (1) [12] and cyclo-hexoyl or adamant-1-oyl chloride react in a molar ratio of 3:2 to give lithium di-cyclo-hexoylphosphide · DME and the corresponding diadamant-1-oylphosphide.2THF (1) resp. Treatment of these two compounds with 85% tetrafluoroboric acid. diethylether adduct yields di-cyclo-hexoyl- (1b) and diadamant-1-oylphosphine (1c). In nmr spectroscopic studies 1b over a range of 203 to 343 K, a strong temperature dependence of the keto-enol equilibrium is found; thermodynamic data characteristic for the formation of the enol tautomer (ΔH0 = -4.3 kJ. mol-1; ΔS0 = -9.2 J. mol-1. K (-1) are compared of 1,3-diketones.The enol tautomer of diadamant-1-oylphosphine (E-1c) as obtained from a benzene solution in thin colourless plates, crystallizes in the monoclinic space group P21/c {a = 722.2(2); b = 1085.5(4); c = 2434.8(5) pm; ß = 96.43(2)° at -100 ± 3°C; Z = 4}. An X- ray structure analysis (Rw = 0.033) shows bond lengths and angles to be almost identical within the enolic system (P—C 179/180; C—O 130/129; C—C(adamant-1-yl) 152/153 pm; C—P—C 99°; P—C—O 124°/124°; P—C—C 120°/120°; C—C—O 116°/116°. The geometry of the very strong, but probably asymmetric O‥H‥O bridge is discussed (O—H 120/130, O‥O 245 pm).
    Notes: Aus Lithium-dihydrogenphosphid · DME (1) [12] und cyclo-Hexoyl- bzw. Adamant-1-oyl-chlorid im Molverhältnis 3:2 zugängliches Lithium-di-cyclo-hexoylphosphid · DME und -diadamant-1-oylphosphid · 2THF 1) reagieren mit 85proz. Tetrafluoroborsäure · Diethylether-Addukt zu Di-cyclo-hexoyl- 1b) und Diadamant-1-oylphosphan (1 c). Die Lage des Keto-Enol-Gleichgewichts zwischen 203 und 343 K sowie thermodynamische Daten zur Bildung des Enol-Isomers ΔH0= -4,3kJ.Mol-1; ΔS0;=-9,2 J · mol-1 · K-1 () wurden NMR-spektroskopisch an einer 2 M Lösung des bei +20°C flüssigen Di-cyclo-Hexoyl-Derivates 1b in d8-Toluol ermittelt und mit Werten von 1,3-Diketonen verglichen.Das farblose, sich aus Benzol in dünnen Plättchen abscheidende Enol-Tautomer des Diadamant-1-oylphosphans (E-1 c) kristallisiert monoklin in der Raumgruppe P21/c {a = 722,2(2) b = 1085,5(4); c = 2434,8(5) pm; ß = 96,43(2)° bei - 100 ± 3°C; Z = 4}. Nach den Ergebnissen der Röntgenstrukturanalyse (Rw=0,033) weist das Molekül in beiden des Hälften des Enolrings nahezu identische Bindungslängen und -winkel auf P—C 179/180; C—O 130/129; C—C(Adamant-1-yl) 152/153 pm; C—P—C 99°; P—C—O 124°/124°; P—C—C 120°/120°; C—C—O 116°/116°. Die Geometrie der sehr starken, aber vermutlich asymmetrischen O‥H‥O-Brücke wird diskutiert (O—H 120/130; O‥O 245 pm).
    Additional Material: 4 Ill.
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  • 9
    ISSN: 0044-2313
    Keywords: Lithium bis(2,2-dimethylpropionl)arsenide · DME ; tetrakis(2,2-dimethylpropionyl)diarsine ; X-ray structure determination ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Acyl- and Alkylidenearsines VII Synthesis and Structure of Tetrakis(2,2-dimethylpropionyl)diarsineLithium dihydrogenarsenide and 2,2-dimethylpropionyl chloride in a molar ratio of 3:2 react at -40 to -50°C in tetrahydrofuran or 1,2-dimethoxyethane to give the corresponding etherate of lithium bis(2,2-dimethylpropionyl)arsenide (2a). Treatment of these solutions with stoichiometric amounts of 85% tetrafluoroboric acid · diethylether adduct yields yelloworange tetrakis(2,2-dimethylpropionyl)diarsine (5) in 64 or 62% yield resp., but not the expected bis (2,2-dimethylpropionyl)arsine (4a). The very air-sensitive compound crystallizes in the monoclinic space group P21/n {-100 ± 3° C; a = 1224.6(3); b = 1419.7(3); c = 1333.1(3) pm; β = 96.22(2)°; Z = 4}. According to the X-ray structure analysis (Rw = 0.036) the molecule shows synclinal conformation; the two diacylarsyl-subunits are twisted against one another by an angle of 86°. As in another acylarsine [1] the As—C distances (203 to 205 pm) were found to be significantly longer then the standard value of 196 pm. Further characteristic bond lengths and angles are: As- 242; C—O 120 to 121 pm; As—As—C 88 to 107°; As—C—O 118 to 122°
    Notes: Wird das jeweilige, aus Lithiumdihydrogenarsenid und 2,2-Dimethylpropionylchlorid im Molverhältnis 3:2 bei -40 bis -50°C in TetrahydrofuranTetrahydrofuran (THF); 1,2-Dimethoxyethan (DME); Bis( 1,2-dimethylamino)ethan (TMEDA); Tetramethylsilan (TMS). oder 1,2-Dimethoxyethan gebildete, aber nicht isolierte Etherat des Lithium-bis(2,2-dimethypropionyl)arsenids (2a) mit 85proz. Tetrafluorborsäure · Diethylether-Addukt weiter umgesetzt, so erhält man nach der üblichen Aufarbeitung des Ansatzes nicht Bis(2,2-dimethylpropionyl)arsan (4a), sondern mit 64- bzw. 62proz.Ausbeute Tetrakis(2,2-dimethylpropionyl)diarsan (5). Die äußerst oxydationsempfindliche gelborange Verbindung kristallisiert monoklin in der Raumgruppe P21/n {-100 ± 3° C; a = 1224,6(3); b = 1419,7(3); c = 1333,1(3)pm; β = 96,22(2)°; Z = 4}. Nach den Ergebnissen der Röntgenstrukturanalyse (Rw = 0,036) weist das Molekül mit zwei um 86° gegeneinander verdrehten Hälften die synclinale Konformation auf; die As—C-Abstände liegen mit 203 bis 205 pm wie in einem anderen Acylarsan [1] deutlich über dem Standard von 196 pm. Weitere Charakteristische Bindungslängen und -winkel sind: As—As242; C—O 120 bis 121 pm; As—As—C 88 bis 107°; As—C—O 118 bis 122°.
    Additional Material: 2 Ill.
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  • 10
    Publication Date: 1992-06-01
    Print ISSN: 0027-8424
    Electronic ISSN: 1091-6490
    Topics: Biology , Medicine , Natural Sciences in General
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