Simplified Multiplet Pattern HSQC-TOCSY Experiment for Accurate Determination of Long-Range Heteronuclear Coupling Constants

• Published in: Journal of magnetic resonance (1997) Vol. 137; no. 2; pp. 408 - 412
• Main Author: Koźmiński, Wiktor
• Format: Journal Article
• Language: English
• Published: United States Elsevier Inc 01.04.1999
• Subjects: Arginine Vasopressin - analogs & derivatives; Arginine Vasopressin - chemistry; Data Interpretation, Statistical; HSQC; Hydrogen Bonding; isotropic mixing; Jcouplings; Magnetic Resonance Spectroscopy - methods; Models, Theoretical; Sensitivity and Specificity; Spin Labels; spin-state-selective excitation; Sucrose - chemistry; isotropic mixing; Jcouplings; spin-state-selective excitation; HSQC
• ISSN: 1090-7807; 1096-0856
• DOI: 10.1006/jmre.1998.1700

A new two-dimensional pulse sequence for accurately determining heteronuclear coupling constants is presented. It is derived from HSQC and HECADE techniques withB0gradient coherence selection. The main feature of the proposed method is spectra with only one component of the IS doublet; i.e., the final result is equivalent to a selective broadband excitation of either Sαor Sβspin states and a preservation of these states during the entire experiment. The effect is obtained by an appropriate combination of in- and antiphase coherences. It is demonstrated that heteronuclear single-bond as well as long-range coupling constants and their relative signs are readily evaluated. The proposed sequence is equally or less sensitive to a variation of heteronuclear one-bond couplings than previously published, closely related sequences. The new method is applied to a peptide sample for determination of3JN,Hβ.