Tools and strategies for processing diffusion-ordered 2D NMR spectroscopy (DOSY) of a broad, featureless resonance: an application to methylaluminoxane (MAO)

被引：12

作者：

Eilertsen, JL

Hall, RW

Simeral, LS

Butler, LG ^{[1
]}

机构：

[1] Louisiana State Univ, Dept Chem, Baton Rouge, LA 70808 USA

[2] Norwegian Univ Sci & Technol, Dept Chem, N-7491 Trondheim, Norway

[3] Albemarle Corp, Proc Dev Ctr, Baton Rouge, LA 70821 USA

来源：

ANALYTICAL AND BIOANALYTICAL CHEMISTRY | 2004年 / 378卷 / 06期

基金：

美国国家科学基金会;

关键词：

DOSY; methylaluminoxane; MAO; Levenberg-Marquardt; movie; molecular volume;

D O I：

10.1007/s00216-003-2457-1

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

DOSY has been extremely successful in many studies of molecular weight distributions, especially when the components are separable along the chemical shift axis. However, an unresolved NMR resonance yields the familiar problem of overlapping exponential decays. In a study of methylaluminoxane (MAO), a set of data processing and simulation tools were developed: read Bruker data files (Matlab); preliminary non-linear least-squares fit with f-test (Matlab); movie generation of the fits (Matlab); conversion of diffusion coefficients to molecular masses through molecular volumes (Gaussian-98); and simulation of DOSY data sets for various molecular mass distributions (Mathematica). These tools are presented here and briefly compared with other DOSY analysis methods.

引用

页码：1574 / 1578

页数：5

共 17 条

[1] Generalized rank annihilation method applied to a single multicomponent pulsed gradient spin echo NMR data set [J].