Tools and strategies for processing diffusion-ordered 2D NMR spectroscopy (DOSY) of a broad, featureless resonance: an application to methylaluminoxane (MAO)
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- 作者：Jan Lasse Eilertsen ; Randall W. Hall ; Larry S. Simeral and Leslie G. Butler
- 关键词：DOSY ; Methylaluminoxane ; MAO ; Levenberg– ; Marquardt ; Movie ; Molecular volume
- 刊名：Analytical and Bioanalytical Chemistry
- 出版年：2004
- 出版时间：March 2004
- 年：2004
- 卷：378
- 期：6
- 页码：1574-1578
- 全文大小：346 KB
文摘
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.