title: Exploring the use of Generalized Indirect Covariance to reconstruct pure shift NMR spectra: Current Pros and Cons.
abstract: The current Pros and Cons of a processing protocol to generate pure chemical shift NMR spectra using Generalized Indirect Covariance are presented and discussed. The transformation of any standard 2D homonuclear and heteronuclear spectrum to its pure shift counterpart by using a reference DIAG spectrum is described. Reconstructed pure shift NMR spectra of NOESY, HSQC, HSQC-TOCSY and HSQMBC experiments are reported for the target molecule strychnine.
authors.affiliation: Servei de Ressonància Magnètica Nuclear, Universitat Autònoma de Barcelona, E-08193 Bellaterra, Catalonia, Spain.
authors.forename: André
authors.initials: A
authors.lastname: Fredi
authors.affiliation: Servei de Ressonància Magnètica Nuclear, Universitat Autònoma de Barcelona, E-08193 Bellaterra, Catalonia, Spain.
authors.forename: Pau
authors.initials: P
authors.lastname: Nolis
authors.affiliation: Mestrelab Research, Santiago de Compostela, E-15706 A Coruña, Spain.
authors.forename: Carlos
authors.initials: C
authors.lastname: Cobas
authors.affiliation: NMR Structure Elucidation, Process & Analytical Chemistry, Merck & Co. Inc., 126 E. Lincoln Avenue, Rahway, NJ 07065, United States.
authors.forename: Gary E
authors.initials: GE
authors.lastname: Martin
authors.affiliation: Servei de Ressonància Magnètica Nuclear, Universitat Autònoma de Barcelona, E-08193 Bellaterra, Catalonia, Spain. Electronic address: teodor.parella@uab.cat.
authors.forename: Teodor
authors.initials: T
authors.lastname: Parella
keywords: Covariance NMR; Pure shift HSQC; Pure shift HSQC-TOCSY; Pure shift HSQMBC; Pure shift NMR