...Nuclear Magnetic Resonance (NMR) is the most important technique for structure elucidation. Except from some rare cases it is not possible to interpret complex molecular structures with GC-MS, LC-MS, FTIR (Fourier Transform Infrared) or UV alone. All these techniques can give promising hints, but still NMR is the magic gatekeeper.

Additional Links:
NMRShiftDB - Open Source NMR DB (I have an open bet when it will become a requirement to deposit NMR spectra in NMRShiftDB with every NMR related publication)
ACD Structure Elucidator - the currently most powerful program for automated 2D-NMR interpretation

Title Using pulsed gradient spin echo NMR for chemical mixture analysis: how to obtain optimum results
Source Concepts in magnetic resonance [1043-7347],yr: 2002 vol: 14 iss: 4 pg: 225;
Brian Antalek
DOI dx.doi.org/10.1002/cmr.10026
Short Review

This article shows the concept of PGSE NMR for mixture analysis, which is still crucial in NMR. The separation of sucrose and glucose is examplified. As NMR is no good separation technique - structure elucidation from multicomponent mixtures is still a problem for NMR (whereas a fast structure elucidation from single components is only possible with NMR!). Stronger magnets, new probes and new data evaluation methods may help to solve the multicomponent problem of NMR.

Title Entropy minimization and spectral dissimilarity curve resolution technique applied to nuclear magnetic resonance data sets
Source Journal of Magnetic Resonance, Volume 173, Issue 1 , March 2005, Pages 175-182; Effendi Widjaja and Marc Garland
DOI doi:10.1016/j.jmr.2004.11.028
Short Review

With the help of a combination of entropy minimization and spectral dissimilarity calulations together, a better resolving of pure component spectra from multicomponent mixtures may be obtained. Examples for 1H PGSE-NMR mixture spectra show that the suggested entropy minimization approache gives slightly better results compared to direct exponential curve resolution (DECRA) and positive matrix factorization (PMF) See also dx.doi.org/10.1002/jcc.10080

Title Fast 1H-13C correlation data for use in automatic structure confirmation of small organic compounds
Source Magn. Reson. Chem. 2005; 43: 124-131;
Adrian J. Dunn and Philip J. Sidebottom
DOI doi:10.1002/mrc.1517
Short Review

Multi-dimensional NMR experiments like HMQC (Heteronuclear Multiple Quantum Correlation) and HSQC (Heteronuclear Single Quantum Correlation) require a longer sampling time (minute range) if only small amounts (µg..mg range) of the compound under investigation are available. Reducing the spectral widths and number of increments may speed up the data aquisition time by a factor of three. Examples for sucrose and a substituted ethyl alpha-cyanocinnamate are given.

Title SENECA: A Platform-Independent, Distributed, and Parallel System for
Computer-Assisted Structure Elucidation in Organic Chemistry
Source J. Chem. Inf. Comput. Sci. 2001, 41, 1500-1507
DOI dx.doi.org/10.1021/ci000407n
Short Review Coupling the results of NMR experiments (subtructures obtained from HOSE codes) with stochastic molecular generators (using simulated annealing for optimization) can lead together with the correct sum formula to a successful and automated structure elucidation.

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