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  • 1995-1999  (2)
  • 1975-1979  (6)
  • 1915-1919  (1)
  • Chemistry  (7)
  • Inorganic Chemistry  (4)
  • Computational Chemistry and Molecular Modeling  (2)
  • Human mortality
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  • 1
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Measurements of translational diffusion coefficients by quasielastic laser light scattering, sedimentation coefficients, and intrinsic viscosities at zero shear of proteoglycan subunit fraction A1-D1-D1 isolated from bovine nasal septa are reported. Molecular weights and hydrodynamic dimensions are compared with those expected on the basis of structural models previously proposed. Comparison of the concentration dependence of the diffusion coefficient in the presence of NaCl and GdnHCl leads to the conclusion that significant self-association behaviour of subunit occurs in the absence of GdnHCl. In the absence of added salt, anomalous nonlinear concentration dependence of Dt estimated from wide-angle light-scattering experiments is observed. In addition, Dt apparently becomes angle dependent. These results are interpreted in terms of the perturbation of normal translational diffusion of the monomer by strong repulsive intermolecular interactions due to the combined effects of long-range electrostatic forces and macromolecular congestion at higher concentrations. By carrying out experiments at small scattering angles, it is possible to determine Dt0 for proteoglycan subunit in the absence of supporting electrolyte. Titration of a dilute solution of subunit with hyaluronic acid results in a sigmoidal behaviour of the Stokes radius, indicating the formation of complexes of higher molecular weight results from the noncovalent association of proteoglycan subunits with hyaluronate. Observation of Dt appears to provide a useful method for studying the proteoglycan subunit-hyaluronate interactions.
    Zusätzliches Material: 14 Ill.
    Materialart: Digitale Medien
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  • 2
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 110 (1977), S. 3954-3958 
    ISSN: 0009-2940
    Schlagwort(e): Chemistry ; Inorganic Chemistry
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: 1,2,3-Tricarbonyl Compounds, XII. Elucidation of the Constitution of the Reaction Products of Ninhydrin with 2-Aminophenol and 2-AminothiophenolNinhydrin (1) reacts with 2-aminophenol (2) and 2-aminothiophenol (6) to give products the constitutions of which were elucidated by means of the 1H- and 13C NMR spectra to be 10a-hydroxy-indeno[2,1-b]benz[1,4]oxazine-11(10aH)-one (3) and 10a-hydroxy-indeno[2,1-b]benz-[1,4]thiazine-11(10aH)-one (7), respectively. Structures mentioned in the literature are on the one hand corrected and on the other hand doubtless established.
    Materialart: Digitale Medien
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  • 3
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 109 (1976), S. 3606-3614 
    ISSN: 0009-2940
    Schlagwort(e): Chemistry ; Inorganic Chemistry
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Beschreibung / Inhaltsverzeichnis: Microbiological Transformations of Nonsteroidal Structures, IX Microbiological Hydroxylation of Δ8TetrahydrocannabinolΔ8Tetrahydrocannabinol (5) is hydroxylated at the ring system and the side chain by fermentations with Pellicularia flilamentosa or Streptomyces lavendulae. P. filamentosa yields the compounds 7β,3′- (1) und 7β,4′-dihydroxy-Δ8-tetrahydrocannabinol (3) as well as 8β,9α-dihydroxy-(2a) und 8β,9α,4′-trihydroxy-6a,10a-trans-hexahydrocannabinol (4a), whereas S. lavendulae leads to 7α-hydroxy- (6), 7α,2′- (7), 7α,3′- (8), 7α4′-Dihydroxy-Δ8-tetrahydrocannabinol (9) und 4′-hydroxy-7-oxo-Δ8-tetrahydrocannabinol (10).
    Notizen: Δ8Tetrahydrocannabinol (5) wird durch Fermentationen mit Pellicularia filamentosa oder Streptomyces lavendulae gleichzeitig am Ringsystem und in der Seitenkette hydroxyliert. P. filamentosa ergibt die Produkte 7β,3′- (1) und 7β,4′-Dihydroxy-Δ8-tetrahydrocannabinol (3) sowie 8β,9α-Dihydroxy-(2a) und 8β,9α,4′-Trihydroxy-6A,10a-trans-hexahydrocannabinol (4a), während S. lavendulae zu 7α-Hydroxy-(6), 7α,2′- (7), 7α,3′- (8), 7α4′-Dihydroxy-Δ8-tetrahydrocannabinol (9) und 4′-Hydroxy-7-oxo-Δ8-tetrahydrocannabinol (10) führt.
    Zusätzliches Material: 1 Tab.
    Materialart: Digitale Medien
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  • 4
    ISSN: 0009-2940
    Schlagwort(e): Chemistry ; Inorganic Chemistry
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Beschreibung / Inhaltsverzeichnis: Microbial Transformations of Steroids, XV: Microbial Hydroxylation of 3α-Acetoxy-5β-pregnane-20-carboxylic Acid and of its Methyl Ester by Calonectria decora and Syncephalastrum racemosum3α-Acetoxy-5β-pregnane-20-carboxylic Acid (1) is hydroxylated by fermentation with Calonectria decora in 12β- (3), 7β,11β- (4), and 1β,12β-position (5) with hydrolysis of the 3-acetoxy group. The methyl ester 2 is attacked in 7α,12β- (6), 7β, 11α- (7), and 12β,15α-position (8), Syncephalastrum racemosum forms from 1 the hydroxy products in positions 11β (9), 12β (3), 7β,11β (4), and 11β,15β (10) as well as the further transformation products 3α-hydroxy- (13), 3α,11β-dihydroxy- (14), 3α,12β-dihydroxy-5β,20α-pregnane-20,18-carbolactone (11), and 11,18-epoxy-3α-hydroxy-5β,20α-pregnane-20,18-carbolactone (16), 1 is transformed by Mycobacterium smegmatis into methyl 3-oxo-pregnane- (18) and 3-oxo-1,4-pregnadiene-20-carboxylate (20).
    Notizen: 3α-Acetoxy-5β-pregnan-20-carbonsäure (1) wird durch Fermentation mit Calonectria decora unter Verseifung der 3-Acetylgruppe in 12β- (3), 7β,11β- (4) und 1β,12β-Stellung (5) hydroxyliert. Der Methylester 2 wird analog in 7α,12β- (6), 7β,11α- (7) und 12β, 15α-Position (8) angegriffen. Syncephalastrum racemosum bildet aus 1 die Hydroxylierungsprodukte in den Positionen 11β (9), 12β (3), 7β,11β (4) und 11β,15β (10) sowie die weiteren Umwandlungsprodukte 3α-Hydroxy- (13), 3α,11β-Dihydroxy- (14), 3α,12β-Dihydroxy-5β,20α-pregnan-20,18-carbolacton (11) sowie 11,18-Expoxy-3α-hydroxy-5β,20α-pregnan-20,18-carbolacton (16). Durch Mycobacterium smegmatis wird 1 zu 3-Oxo-4-pregnen- (18) und 3-Oxo-1,4-pregnadien-20-carbonsäure-methylester (20) umgewandelt.
    Materialart: Digitale Medien
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  • 5
    ISSN: 0075-4617
    Schlagwort(e): Chemistry ; Organic Chemistry
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Beschreibung / Inhaltsverzeichnis: Chemotherapeutic Nitroheterocycles, XXVI.  -  5-Nitro-2-thiazolylpyrazoles and 5-Nitro-2-thiazolylisoxazoles from 1,3-Dicarbonyl Compounds of the Nitrothiazole Series5-Nitrothiazole-2-carboxylic acid chloride (1) and copper salts of 1.3-dicarbonyl compounds 4 are used as starting materials for the synthesis of 1,3-dicarbonyl compounds 6 with a 5-nitro-2-thiazolyl moiety. Reaction of compounds 6 with substituted hydrazines or hydroxylamine affords the title compounds, some of which are mixtures of isomers.
    Notizen: Aus dem 5-Nitrothiazol-2-carbonsäurechlorid (1) und Kupfersalzen von 1,3-Dicarbonylverbindungen 4 werden 1,3-Dicarbonylverbindungen 6 mit einem 5-Nitro-2-thiazolylrest hergestellt. Durch Umsetzung der Verbindungen 6 mit verschieden substituierten Hydrazinen oder Hydroxylamin werden die im Titel genannten Verbindungen synthetisiert, die zum Teil als Isomerengemisch vorliegen.
    Zusätzliches Material: 3 Tab.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 6
    Digitale Medien
    Digitale Medien
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 8 (1976), S. 117-119 
    ISSN: 0030-4921
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: 15N chemical shifts of twenty-four substituted indoles have been determined in natural abundance (in organic solvents) using Fourier transform NMR. The overall chemical shift range is 27 ppm, with groups in the 2-, 3- and 5-ring positions showing the largest substituent effects. Substituents capable of resonance interaction with the indole nitrogen give shifts in the expected directions but they cannot be correlated with known substituent parameters. Compounds measured in DMSO give 0·2 to 10·2 ppm downfield shifts with respect to the same compound measured in CDCl3. 13C NMR data for previously unreported compounds are also reported.
    Zusätzliches Material: 2 Tab.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 7
    Digitale Medien
    Digitale Medien
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 16 (1995), S. 1339-1350 
    ISSN: 0192-8651
    Schlagwort(e): Computational Chemistry and Molecular Modeling ; Biochemistry
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Informatik
    Notizen: The recently formulated weighted histogram analysis method (WHAM)1 is an extension of Ferrenberg and Swendsen's multiple histogram technique for free-energy and potential of mean force calculations. As an illustration of the method, we have calculated the two-dimensional potential of mean force surface of the dihedrals gamma and chi in deoxyadenosine with Monte Carlo simulations using the all-atom and united-atom representation of the AMBER force fields. This also demonstrates one of the major advantages of WHAM over umbrella sampling techniques. The method also provides an analysis of the statistical accuracy of the potential of mean force as well as a guide to the most efficient use of additional simulations to minimize errors. © 1995 John Wiley & Sons, Inc.
    Zusätzliches Material: 11 Ill.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 8
    Digitale Medien
    Digitale Medien
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 16 (1995), S. 1351-1356 
    ISSN: 0192-8651
    Schlagwort(e): Computational Chemistry and Molecular Modeling ; Biochemistry
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Informatik
    Notizen: Current macromolecular energy minimization algorithms become inefficient and prone to failure when bond length constraints are imposed. They are required to relieve steric stresses in biomolecules prior to a molecular dynamics simulation. Unfortunately, the latter often require constraints, leading to difficulties in initiating trajectories from unconstrained energy minima. This difficulty was overcome by requiring that the components of the energy gradient vanish along the constrained bonds. The modified energy minimization algorithm converges to a lower energy in a fewer number of iterations and is more robust than current implementations. The method has been successfully applied to the Dickerson DNA dodecamer, CGCGAATTCGCG. © 1995 John Wiley & Sons, Inc.
    Zusätzliches Material: 5 Ill.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 9
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 51 (1918), S. 130-136 
    ISSN: 0365-9496
    Schlagwort(e): Chemistry ; Inorganic Chemistry
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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