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Title: Deconvolution of Two-Dimensional NMR Spectra by Fast Maximum Likelihood Reconstruction: Application to Quantitative Metabolomics

Journal Article · · Analytical Chemistry
DOI:https://doi.org/10.1021/ac200536b· OSTI ID:1123354
 [1];  [1];  [1];  [1]
  1. National Magnetic Resonance Facility at Madison and ‡Department of Biochemistry, University of Wisconsin-Madison, 433 Babcock Drive, Madison, Wisconsin 53706, United States
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Sponsoring Organization:
USDOE
OSTI ID:
1123354
Journal Information:
Analytical Chemistry, Journal Name: Analytical Chemistry Vol. 83 Journal Issue: 12; ISSN 0003-2700
Publisher:
American Chemical SocietyCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 69 works
Citation information provided by
Web of Science

References (18)

HMDB: the Human Metabolome Database journal January 2007
Metabolite profiling by one- and two-dimensional NMR analysis of complex mixtures journal January 1996
Practical Model Fitting Approaches to the Direct Extraction of NMR Parameters Simultaneously from All Dimensions of Multidimensional NMR Spectra journal January 1998
Quantification of High-Resolution 1 H NMR Spectra from Rat Brain Extracts journal December 2010
rNMR: open source software for identifying and quantifying metabolites in NMR spectra journal October 2009
The Mutarotation of alpha-d-Glucose in Ethanol—Water Mixtures at 25° 1 journal September 1940
Improved methods for the acquisition and interpretation of NMR metabolomic data journal October 2003
Simultaneous Quantification and Identification of Individual Chemicals in Metabolite Mixtures by Two-Dimensional Extrapolated Time-Zero 1 H− 13 C HSQC (HSQC 0 ) journal February 2011
NMRPipe: A multidimensional spectral processing system based on UNIX pipes journal November 1995
Maximum-Likelihood-Constrained Deconvolution of Two-Dimensional NMR Spectra. Accuracy of Spectral Quantification journal June 1993
Stable Isotope Labeling of Arabidopsis thaliana for an NMR-Based Metabolomics Approach journal August 2004
Metabonomics: Metabolic processes studied by NMR spectroscopy of biofluids journal January 2000
Targeted Profiling:  Quantitative Analysis of 1 H NMR Metabolomics Data journal July 2006
Quantitative metabolomics using NMR journal March 2008
Two-dimensional J -resolved NMR spectroscopy: review of a key methodology in the metabolomics toolbox: J -Resolved NMR Spectroscopy in Metabolomics journal November 2009
Method for Determining Molar Concentrations of Metabolites in Complex Solutions from Two-Dimensional 1 H− 13 C NMR Spectra journal December 2007
Validation of quantitative NMR journal August 2005
Theory and application of the maximum likelihood principle to NMR parameter estimation of multidimensional NMR data journal April 1995

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