Deutsch
 
Benutzerhandbuch Datenschutzhinweis Impressum Kontakt
  DetailsucheBrowse

Datensatz

DATENSATZ AKTIONENEXPORT

Freigegeben

Zeitschriftenartikel

Rotational-resonance distance measurements in multi-spin systems

MPG-Autoren
/persons/resource/persons128263

Zimmermann,  Herbert
Emeritus Group Biophysics, Max Planck Institute for Medical Research, Max Planck Society;

Volltexte (frei zugänglich)
Es sind keine frei zugänglichen Volltexte verfügbar
Ergänzendes Material (frei zugänglich)
Es sind keine frei zugänglichen Ergänzenden Materialien verfügbar
Zitation

Verhoeven, A., Williamson, P. T. F., Zimmermann, H., Ernst, M., & Meier, B. H. (2004). Rotational-resonance distance measurements in multi-spin systems. Journal of Magnetic Resonance, 168(2), 314-326. doi:10.1016/j.jmr.2004.03.009.


Zitierlink: http://hdl.handle.net/11858/00-001M-0000-002A-5ED6-8
Zusammenfassung
It is demonstrated that internuclear distances can be evaluated from rotational-resonance (RR) experiments in uniformly (13)C-labelled compounds. The errors in the obtained distances are less than 10% without the need to know any parameters of the spin system except the isotropic chemical shifts of all spins. We describe the multi-spin system with a simple fictitious spin-1/2 model. The influence of the couplings to the passive spins (J and dipolar coupling) is described by an empirical constant offset from the rotational-resonance condition. Using simulated data for a three-spin system, we show that the two-spin model describes the rotational-resonance transfer curves well as long as none of the passive spins is close to a rotational-resonance condition with one of the active spins. The usability of the two-spin model is demonstrated experimentally using a sample of acetylcholine perchlorate with labelling schemes of various levels of complexity. Doubly-, triply-, and fully labelled compounds lead to strongly varying RR polarization-transfer curves but the evaluated distances using the two-spin model are identical within the expected error limits and coincide with the distance from the X-ray structure. Rotational-resonance distance measurements in fully labelled compounds allow, in particular, the measurement of weak couplings in the presence of strong couplings.