title: Processing DOSY spectra using the regularized resolvent transform.
abstract: A new method for processing diffusion ordered spectroscopy (DOSY) data is presented. This method, the regularized resolvent transform (iRRT-the i denoting the adaptation of the method to evaluate the inverse Laplace transform), is better than conventional processing techniques for generating 2D DOSY spectra using data that has poor chemical shift resolution. From the same data, it is possible to use the iRRT to generate 1D subspectra corresponding to different components of the sample mixture; these subspectra compare favorably to 1D spectra of the pure substances. Both the 2D spectra and the 1D subspectra offer a vast improvement over results generated using a conventional processing technique (non-linear least-squares fitting). Consequently, we present the iRRT as a stable and reliable tool for solving the inverse Laplace transform problem present in experiments such as DOSY.
authors.affiliation: Chemistry Department, University of California, Irvine, CA 92697-2025, USA.
authors.forename: Geoffrey S
authors.initials: GS
authors.lastname: Armstrong
authors.forename: Nikolaus M
authors.initials: NM
authors.lastname: Loening
authors.forename: Joseph E
authors.initials: JE
authors.lastname: Curtis
authors.forename: A J
authors.initials: AJ
authors.lastname: Shaka
authors.forename: Vladimir A
authors.initials: VA
authors.lastname: Mandelshtam
mesh_terms: D000080462:Acyclic Monoterpenes; D000465:Algorithms; D000081008:Bicyclic Monoterpenes; D003198:Computer Simulation; D038524:Diffusion Magnetic Resonance Imaging / Q000379:methods*; D005240:Feasibility Studies; D007089:Image Enhancement / Q000379:methods*; D008956:Models, Chemical; D008958:Models, Molecular; D011803:Quinine / Q000737:chemistry; D012815:Signal Processing, Computer-Assisted; D012996:Solutions / Q000737:chemistry*; D013113:Spin Labels; D013729:Terpenes / Q000737:chemistry
chemical_list: D000080462:Acyclic Monoterpenes; D000081008:Bicyclic Monoterpenes; D012996:Solutions; D013113:Spin Labels; D013729:Terpenes; D011803:Quinine; C019286:camphene; C007836:geraniol