title: Resolving overlaps in diffusion encoded spectra using band-selective pulses in a 3D BEST-DOSY experiment.
abstract: A novel diffusion-edited 3D NMR experiment that incorporates a BEST-HMQC pulse sequence in its implementation is presented. Heteronuclear 3D DOSY NMR experiments are useful in elucidating the diffusion coefficients of individual constituents of a mixture, especially in cases where the proton NMR 2D DOSY spectra show considerable overlap. The present 3D BEST-DOSY pulse sequence provides a more sensitive and less time-consuming alternative to standard 3D HMQC-DOSY experiments. Cleanly separated subspectra of individual mixture components are obtained, leading to the determination of diffusion coefficients with better accuracy. The feasibility of the technique is demonstrated on a mixture of amino acids, on a mixture of small molecules with similar diffusion coefficients, and on a complex mixture with large dynamic range (commercial gasoline). The implications of using adiabatic decoupling schemes and band-selective shaped pulses for selective BEST-DOSY experiments on proteins are also discussed.
authors.affiliation: Department of Physics, Indian Institute of Science Education & Research (IISER) Mohali, Chandigarh 160 019, India. matsyendranath@iisermohali.ac.in
authors.forename: Matsyendranath
authors.initials: M
authors.lastname: Shukla
authors.forename: Kavita
authors.initials: K
authors.lastname: Dorai
mesh_terms: D000080462:Acyclic Monoterpenes; D000465:Algorithms; D000596:Amino Acids / Q000737:chemistry; D000081008:Bicyclic Monoterpenes; D002247:Carbon Isotopes; D017666:Deuterium Oxide / Q000737:chemistry; D004058:Diffusion; D004574:Electromagnetic Fields; D005742:Gasoline / Q000032:analysis; D008956:Models, Chemical; D009113:Muramidase / Q000737:chemistry; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods*; D011506:Proteins / Q000737:chemistry; D011803:Quinine / Q000737:chemistry; D015203:Reproducibility of Results; D059629:Signal-To-Noise Ratio; D013729:Terpenes / Q000737:chemistry; D014867:Water / Q000737:chemistry
chemical_list: D000080462:Acyclic Monoterpenes; D000596:Amino Acids; D000081008:Bicyclic Monoterpenes; D002247:Carbon Isotopes; D005742:Gasoline; D011506:Proteins; D013729:Terpenes; D014867:Water; D011803:Quinine; D009113:Muramidase; C019286:camphene; D017666:Deuterium Oxide; C007836:geraniol