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  • dipolar couplings  (2)
  • Analytical methods  (1)
  • HCCH-TOCSY  (1)
  • 1
    ISSN: 1573-5001
    Keywords: dipolar couplings ; methylene groups ; spin state selective transfer ; structure determination ; SPITZE-HSQC ; ubiquitin
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology
    Notes: Abstract Heteronuclear dipolar couplings of the protein backbone have proven to have a big impact on the accuracy of protein NMR structures. H,H dipolar couplings might have the same impact on side chains. Here we present a method that combines both heteronuclear and homonuclear dipolar couplings to investigate the local conformation of methylene groups. A new pulse sequence (SPITZE-HSQC) is presented, that allows to measure the two C,H and the H,H dipolar couplings at the same time, using spin state selective transfers. The new method has been applied to the methylene groups of glycines in the protein ubiquitin. The C,H and the H,H dipolar couplings might have a key role in fast stereospecific assignment of protons in CH2 groups.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Journal of biomolecular NMR 18 (2000), S. 199-205 
    ISSN: 1573-5001
    Keywords: adiabatic pulses ; HCCH-TOCSY ; supercycles ; TOCSY ; ubiquitin
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology
    Notes: Abstract Adiabatic pulses have been widely used for broadband decoupling and spin inversion at high magnetic fields. In this paper we propose adiabatic pulses and supercycles that can be used at high magnetic fields like 800 or 900 MHz to obtain broadband TOCSY sequences with C,C or H,H J-transfer. The new mixing sequences are equal or even superior to the well known DIPSI-2,3 experiments with respect to bandwidth. They prove robust against pulse miscalibration and B1 inhomogeneity and are therefore attractive for fully automated spectrometer environments. These adiabatic mixing sequences have been incorporated in a novel z-filter HCCH-TOCSY experiment.
    Type of Medium: Electronic Resource
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  • 3
    ISSN: 1573-5001
    Keywords: bioinformatics ; dipolar couplings ; postgenomic research ; protein data base ; structure elucidation ; three dimensional homology search
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology
    Notes: Abstract A program, DipoCoup, is presented that allows to search the protein data bank for proteins which have a three dimensional fold that is at least partially homologous to a protein under investigation. The three dimensional homology search uses secondary structure alignment based on chemical shifts and dipolar couplings or pseudocontact shifts for the three dimensional orientation of secondary structure elements. Moreover, the program offers additional tools for handling and analyzing dipolar couplings.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Angewandte Chemie International Edition in English 27 (1988), S. 490-536 
    ISSN: 0570-0833
    Keywords: NMR spectroscopy ; Analytical methods ; Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An exact knowledge of the structure, dynamics, and reactions of molecules provides the key to understand their functions and properties. NMR spectroscopy has developed, through the introduction of two-dimensional methods, into the most important method for the investigation of these questions in solution. A great variety of different techniques is available. However, for their successful application not only the appropriate equipment is required, but also the right choice of experiments and optimum measurement parameters, as well as a careful evaluation of the spectra. This contribution describes the necessary background for modern NMR spectroscopy. With the aid of the so-called product operator formalism it is possible to understand pulsed Fourier transform NMR spectroscopy both qualitatively and quantitatively. Very few, readily understandable assumptions are sufficient for confident application of these methods. This article attempts to introduce in a simple manner this formalism as well as phase cycles necessary for the understanding of pulse sequences, and to train the reader through the discussion of several 2D NMR techniques. An overview of the most important techniques is given in the second part of this article.
    Additional Material: 40 Ill.
    Type of Medium: Electronic Resource
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