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  • Analytical Chemistry and Spectroscopy  (4)
  • 1990-1994  (4)
  • 1
    ISSN: 0749-1581
    Keywords: Vasopressins ; Peptide dynamics in solution ; NMR relaxation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The dynamic behaviour of [Lys8]-vasopressin derivatives, especially of N-Gly-Gly-Gly-[Lys8]-vasopressin in solution, was investigated by NMR relaxation studies. One can derive a set of dynamics data which describe the molecular tumbling in solution from 13C spin-lattice relaxation times, T1, spin-spin relaxation times, T2, and heteronuclear nuclear Overhauser enhancements (NOE). Two different approaches, the scheme proposed by Jardetzky and co-workers and the ‘model-free’ approximation of Lipari and Szabo, are used to analyse the dynamics and a comparison of the corresponding data is given. In addition to a mobility of 108-109 s-1, we observe a faster mobility of the order of 109-1010 s-1 in addition to slow dynamic contributions. The latter can be associated by means of T1, measurements with a motion involving the S—S linkage in the vasopressin. Some additional motion is described as the overall mobility of an associate. The results from 13C relaxation were corroborated by 15N T1 measurements, performed at the 15N natural abundance level by an INEPT-reverse INEPT method, and by 15N NOE investigations.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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  • 2
    ISSN: 0749-1581
    Keywords: 1H NMR ; Structure determination ; MD calculation ; Vasopressin ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The conformation of N-(Gly-Gly-Gly)-Lys-vasopressin (TGVP) in aqueous solution was determined by 1H NMR spectroscopy. The structural data were compared with those obtained in DMSO. Refinement of the structure derived from NMR data and a description of the conformational dynamics were accomplished by molecular dynamics simulations in aqueous solution.
    Additional Material: 6 Ill.
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  • 3
    ISSN: 0749-1581
    Keywords: [Lys8]-vasopressin homologues ; NMR assignments in peptides ; Conformational analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The assignment of proton NMR signals and the conformational analysis of N-(Gly)-[Lys8]-vasopressin and N-(Gly—Gly—Gly)—[Lys8]-vasopressin in dimethyl sulfoxide solution by means of one- and two-dimensional NMR techniques are presented. Dihedral angles obtained from 3J (HN—C—α-H) vicinal couplings, intramolecular distances estimated from nuclear Overhauser enhancements (NOEs) and two-dimensional experiments in the rotating frame (ROESY), as well as temperature dependences of the amide protons, suggest a more or less rigid ring conformation with an inverse γ-turn for both cyclic peptides.
    Additional Material: 3 Ill.
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  • 4
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 30 (1992), S. S3 
    ISSN: 0749-1581
    Keywords: Transient NOE experiments ; Synchronous nutation experiments ; NAD stack interactions ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Cross-relaxation interactions between the nicotinamide moiety and the adenine moiety of NAD in D2O solution were unambiguously revealed by steady-state NOE experiments, transient NOE experiments and synchronous nutation experiments. The experimental results, which allow a concise description in terms of auto-relaxation and cross-relaxation, are interpreted as the result of a stacking interaction. Studies of 13C relaxation and investigations on ternary mixtures with 6-methylpurine give evidence for an inter- rather than intra-molecular stack interaction, at least in the NMR concentration range.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
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