Implementing multiplicity editing in selective HSQMBC experiments

Josep Saurí; Eduard Sistaré; R Thomas Williamson; Gary E Martin; Teodor Parella

doi:10.1016/j.jmr.2015.01.006

Implementing multiplicity editing in selective HSQMBC experiments

J Magn Reson. 2015 Mar:252:170-5. doi: 10.1016/j.jmr.2015.01.006. Epub 2015 Jan 27.

Authors

Josep Saurí¹, Eduard Sistaré², R Thomas Williamson³, Gary E Martin³, Teodor Parella⁴

Affiliations

¹ Servei de Ressonància Magnètica Nuclear, Universitat Autònoma de Barcelona, Facultat de Ciències, E-08193 Bellaterra (Barcelona), Catalonia, Spain; NMR Structure Elucidation, Process and Analytical Chemistry, Merck & Co. Inc., 126 E. Lincoln Avenue, Rahway, NJ 07065, USA.
² Servei de Ressonància Magnètica Nuclear, Universitat Autònoma de Barcelona, Facultat de Ciències, E-08193 Bellaterra (Barcelona), Catalonia, Spain.
³ NMR Structure Elucidation, Process and Analytical Chemistry, Merck & Co. Inc., 126 E. Lincoln Avenue, Rahway, NJ 07065, USA.
⁴ Servei de Ressonància Magnètica Nuclear, Universitat Autònoma de Barcelona, Facultat de Ciències, E-08193 Bellaterra (Barcelona), Catalonia, Spain. Electronic address: [email protected].

PMID: 25702573
DOI: 10.1016/j.jmr.2015.01.006

Abstract

Even C/CH(2) and odd CH/CH(3) carbon-multiplicity information can be directly distinguished from the relative positive/negative phase of cross-peaks in a novel ME (Multiplicity-Edited)-selHSQMBC experiment. The method can be extended by a TOCSY propagation step, and it is fully compatible for the simultaneous and precise determination of long-range heteronuclear coupling constants. Broadband homonuclear decoupling techniques can also be incorporated to enhance sensitivity and signal resolution by effective collapse of J(HH) multiplets.

Keywords: HOBS; HSQMBC; Heteronuclear coupling constants; IPAP; Multiplicity-editing.

Publication types

Research Support, Non-U.S. Gov't