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  • 1
    Electronic Resource
    Electronic Resource
    DipoCoup: A versatile program for 3D-structure homology comparison based on residual dipolar couplings and pseudocontact shifts (2000)
    Springer
    Journal of biomolecular NMR 17 (2000), S. 283-294 
    Details
    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
    URL: http://dx.doi.org/10.1023/A:1008362931964
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    A new method for the simultaneous measurement of magnitude and sign of 1DCH and 1DHH dipolar couplings in methylene groups (2000)
    Springer
    Journal of biomolecular NMR 17 (2000), S. 99-109 
    Details
    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
    URL: http://dx.doi.org/10.1023/A:1008346902500
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Adiabatic TOCSY for C,C and H,H J-transfer (2000)
    Springer
    Journal of biomolecular NMR 18 (2000), S. 199-205 
    Details
    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
    URL: http://dx.doi.org/10.1023/A:1026785725363
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    Paper (German National Licenses)
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  • 4
    Electronic Resource
    Electronic Resource
    Synthesis of Tumor-Inhibiting Complex Salts Containing the Anion trans-Tetrachlorobis(indazole)ruthenate(III) and Crystal Structure of the Tetraphenylphosphonium Salt (1999)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 1999 (1999), S. 1551-1555 
    Details
    ISSN: 1434-1948
    Keywords: Ruthenium ; Coordination chemistry ; Paramagnetic complexes ; Magnetic properties ; Ion exchange ; Antitumor agents ; Colon tumors ; Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Indazolium trans-tetrachlorobis(indazole)ruthenate(III) exhibits excellent results against different tumor models in vitro and in vivo. To improve the water solubility necessary for the introduction of this tumor-inhibiting compound into clinical trials, we synthesized the corresponding sodium salt in a two-step ion exchange via the tetramethylammonium salt. The sodium salt shows a 35-fold higher solubility in water relative to the indazolium salt. We also synthesized the n-butylammonium, n-octylammonium, and tetraphenylphosphonium salts, all of which showed improved solubility in organic solvents. The X-ray crystal structure of the latter could be solved, proving the trans configuration of the complex anion. In spite of the paramagnetic RuIII center an assignement of the coordinated indazole protons could be made with the help of a COSY experiment.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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    Paper (German National Licenses)
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