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  • 1
    Digitale Medien
    Digitale Medien
    Comment on: Is multiple quantum nuclear magnetic resonance spectroscopy of liquid water real? (1992)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 96 (1992), S. 1657-1658 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: Recently, two-dimensional NMR experiments have been performed, which were likely to show that a coupling between otherwise uncoupled or equivalent spins was observable, yielding signals originating from multiple-spin multiple-quantum operators in the density matrix. According to the authors, such surprising results could be interpreted as a consequence of the radiation damping phenomenon. For this purpose, a fully quantum-mechanical frame was used, thus treating the radiation field in a quantized manner. Our analysis, based on the same theoretical grounds, as well as on new experimental arguments, lead us to diverging conclusions.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.462155
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  • 2
    Digitale Medien
    Digitale Medien
    Use of the Cadzow procedure in 2D NMR for the reduction of t1 noise (1995)
    Springer
    Journal of biomolecular NMR 6 (1995), S. 361-365 
    Details
    ISSN: 1573-5001
    Schlagwort(e): t1 Noise ; 2D NMR spectroscopy ; Cadzow procedure ; Singular value decompositin ; Gradient
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Biologie , Chemie und Pharmazie
    Notizen: Summary A data processing approach is proposed for reducing the t1 noise observed in multidimensional NMR spectra. This method is based on the use of the Cadzow procedure [Cadzow, J.A. (1988) IEEE Trans. Acous. Speech Signal Proc., 36, 49–62], and is demonstrated to be efficient for simulated cases as well as real experiments.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF00197635
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  • 3
    Digitale Medien
    Digitale Medien
    Gifa V. 4: A complete package for NMR data set processing (1996)
    Springer
    Journal of biomolecular NMR 8 (1996), S. 445-452 
    Details
    ISSN: 1573-5001
    Schlagwort(e): Linear prediction ; FFT ; Maximum entropy ; Signal processing ; MaxEnt ; Software ; Command language ; Graphic user interface
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Biologie , Chemie und Pharmazie
    Notizen: Summary The Gifa program is designed for processing, displaying and analysing 1D, 2D and 3D NMR data sets. It has been constructed in a modular fashion, based on three independent modules: a set of commands that perform all the basic processing operations such as apodisation functions, a complete set of Fourier Transforms, phasing and baseline correction, peak-picking and line fitting, linear prediction and maximum entropy processing; a set of command language primitives that permit the execution of complex macro commands; and a set of graphic commands that permit to build a complete graphic user interface, allowing the user to interact easily with the program. We have tried to create a versatile program that can be easily extended according to the user's requirements and that is adapted to a novice as well as an experienced user. The program runs on any UNIX computer, with or without graphic display, in interactive or batch mode.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF00228146
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  • 4
    Digitale Medien
    Digitale Medien
    Computation of relaxation matrix elements from incomplete NOESY data sets (1992)
    Springer
    Journal of biomolecular NMR 2 (1992), S. 349-360 
    Details
    ISSN: 1573-5001
    Schlagwort(e): NMR ; NOESY ; Relaxation matrix refinement ; Build-up curves ; Linear prediction ; R-factor
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Biologie , Chemie und Pharmazie
    Notizen: Summary The structural determination of biological molecules in solution by NMR relies on the determination of a set of interatomic distances obtained by measurement of intramolecular nuclear Overhauser effects (NOE). It is shown in this paper that it is possible to obtain the accurate relaxation rate (and hence the interatomic distance) from the direct measurement of a single NOE signal. The precise analysis of a NOESY peak evolution with respect to the mixing time allows the evaluation of the relaxation parameters for the pair of spins under consideration. This is done without any assumption on the relaxation of unmeasured spins, or on the movement of the molecule. The theoretical basis of this method is presented. In order to evaluate the proposed method, a simulated case on the protein BPTI is studied, which shows that the method performs very well even in the case of noisy data sets.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01874813
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  • 5
    Digitale Medien
    Digitale Medien
    An estimate of spin diffusion in a spin subset: Application to iterative distance calculation from 3D 15N NOESY-HMQC (1995)
    Springer
    Journal of biomolecular NMR 5 (1995), S. 193-201 
    Details
    ISSN: 1573-5001
    Schlagwort(e): 15N-labelled protein ; Heteronuclear spectroscopy ; 3D NOESY-HMQC ; Spin-lattice relaxation time ; Relaxation matrix ; Iterative distance calculation ; Bacteriorhodopsin
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Biologie , Chemie und Pharmazie
    Notizen: Summary A method for quantification of distances between amide hydrogens using only the 3D NOESY-HMQC experiment recorded on a 15N-labelled protein is presented. This method is based on an approximate expression of the NOE intensities between amide hydrogens obtained from continuum modelling of the non-amide spins; this expression is used in a distance calculation algorithm. The algorithm has been named CROWD, standing for Continuum approximation of Relaxati On path Ways between Dilute spins. This approximation as well as the CROWD algorithm are tested on a simulated case; the CROWD algorithm is then applied to experimental data, measured on a fragment of bacteriorhodopsin.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF00208810
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