Nuit Blanche: Accelerated NMR spectroscopy with low-rank reconstruction

Friday, November 14, 2014

Accelerated NMR spectroscopy with low-rank reconstruction

Before reading the following, let me make a statement that except for today, I will probably never, ever, feature a paper that is a RoMEO white journal such as Angewandte Chemie International Edition . Look at the restrictions.

If I do feature another of those journals by accident, please do let me know. We have to start somewhere.

Xiaobo Qu just me the following:

Dear Igor,

   Thanks for maintaining your blog to share the progress on sparse and low rank signal processing and related applications.

   Recently, we did one one work on low rank model in the time domain to accelerate the NMR spectroscopy, which has very important applicatoins in Chemistry and Biology Analysis. We found the new model is a viable alternative to the current state-of-the-art technique compressed sensing. In particular, the low-rank approach is good in preserving of low-intensity broad peaks, and thus increases the effective sensitivity in the reconstructed spectra. This paper was recently published on Angewandte Chemie International Edition.

     Thanks for sharing.

Best regards,
Xiaobo
Xiaobo Qu, Ph.D.
Department of Electronic Science, Xiamen University.

After some back and forth discussion on the ability to read this paper on some preprint server, Xiaobo

mentioned that if you email him ( at quxiaobo@xmu.edu.cn ) a request, he will send you the paper directly.

Thanks Xiaobo !

Xiaobo Qu*, Maxim Mayzel, Jian-Feng Cai, Zhong Chen, and Vladislav Orekhov*, Accelerated NMR spectroscopy with low-rank reconstruction, Angewandte Chemie International Edition, DOI:10.1002/anie.201409291, 2014.

Prof. Xiaobo Qu1,*, Dr. Maxim Mayzel2, Prof. Jian-Feng Cai3, Prof. Zhong Chen1 andProf. Vladislav Orekhov2,*

1 Department of Electronic Science, Fujian Provincial Key Laboratory of Plasma and Magnetic Resonance, State Key Laboratory of Physical Chemistry of Solid Surfaces, Xiamen University, P.O. Box 979, Xiamen 361005 (China)
2 Swedish NMR Centre, University of Gothenburg, P.O. Box 465, Gothenburg 40530 (Sweden)
3 Department of Mathematics, University of Iowa, Iowa City, IA 52242 (USA)
Email: Prof. Xiaobo Qu (quxiaobo@xmu.edu.cn), Prof. Vladislav Orekhov (vladislav.orekhov@nmr.gu.se)

* Xiaobo Qu, Department of Electronic Science, Fujian Provincial Key Laboratory of Plasma and Magnetic Resonance, State Key Laboratory of Physical Chemistry of Solid Surfaces, Xiamen University, P.O. Box 979, Xiamen 361005 (China)

* Vladislav Orekhov, Swedish NMR Centre, University of Gothenburg, P.O. Box 465, Gothenburg 40530 (Sweden)

Article first published online: 11 NOV 2014
DOI: 10.1002/anie.201409291

Keywords: low-rank approximation;NMR spectroscopy;real-time measurements;structure elucidation

Abstract: Accelerated multi-dimensional NMR spectroscopy is a prerequisite for high-throughput applications, studying short-lived molecular systems and monitoring chemical reactions in real time. Non-uniform sampling is a common approach to reduce the measurement time. Here, a new method for high-quality spectra reconstruction from non-uniformly sampled data is introduced, which is based on recent developments in the field of signal processing theory and uses the so far unexploited general property of the NMR signal, its low rank. Using experimental and simulated data, we demonstrate that the low-rank reconstruction is a viable alternative to the current state-of-the-art technique compressed sensing. In particular, the low-rank approach is good in preserving of low-intensity broad peaks, and thus increases the effective sensitivity in the reconstructed spectra.

http://dx.doi.org/10.1002/anie.201409291
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