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Identification of metabolites from 2D 1H-13C HSQC NMR using peak correlation plots

Overview of attention for article published in BMC Bioinformatics, December 2014
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Title
Identification of metabolites from 2D 1H-13C HSQC NMR using peak correlation plots
Published in
BMC Bioinformatics, December 2014
DOI 10.1186/s12859-014-0413-z
Pubmed ID
Authors

Tommy Öman, May-Britt Tessem, Tone F Bathen, Helena Bertilsson, Anders Angelsen, Mattias Hedenström, Trygve Andreassen

Abstract

BackgroundIdentification of individual components in complex mixtures is an important and sometimes daunting task in several research areas like metabolomics and natural product studies. NMR spectroscopy is an excellent technique for analysis of mixtures of organic compounds and gives a detailed chemical fingerprint of most individual components above the detection limit. For the identification of individual metabolites in metabolomics, correlation or covariance between peaks in 1H NMR spectra has previously been successfully employed. Similar correlation of 2D 1H-13C Heteronuclear Single Quantum Correlation spectra was recently applied to investigate the structure of heparine. In this paper, we demonstrate how a similar approach can be used to identify metabolites in human biofluids (post-prostatic palpation urine).ResultsFrom 50 1H-13C Heteronuclear Single Quantum Correlation spectra, 23 correlation plots resembling pure metabolites were constructed. The identities of these metabolites were confirmed by comparing the correlation plots with reported NMR data, mostly from the Human Metabolome Database.ConclusionsCorrelation plots prepared by statistically correlating 1H-13C Heteronuclear Single Quantum Correlation spectra from human biofluids provide unambiguous identification of metabolites. The correlation plots highlight cross-peaks belonging to each individual compound, not limited by long-range magnetization transfer as conventional NMR experiments.

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Mendeley readers

Mendeley readers

The data shown below were compiled from readership statistics for 102 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
France 1 <1%
Australia 1 <1%
Unknown 100 98%

Demographic breakdown

Readers by professional status Count As %
Researcher 20 20%
Student > Ph. D. Student 19 19%
Student > Master 13 13%
Student > Bachelor 12 12%
Student > Doctoral Student 6 6%
Other 9 9%
Unknown 23 23%
Readers by discipline Count As %
Chemistry 23 23%
Biochemistry, Genetics and Molecular Biology 17 17%
Agricultural and Biological Sciences 15 15%
Pharmacology, Toxicology and Pharmaceutical Science 6 6%
Computer Science 4 4%
Other 12 12%
Unknown 25 25%
Attention Score in Context

Attention Score in Context

This research output has an Altmetric Attention Score of 1. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 17 December 2014.
All research outputs
#17,734,890
of 22,774,233 outputs
Outputs from BMC Bioinformatics
#5,927
of 7,276 outputs
Outputs of similar age
#242,683
of 354,373 outputs
Outputs of similar age from BMC Bioinformatics
#120
of 150 outputs
Altmetric has tracked 22,774,233 research outputs across all sources so far. This one is in the 19th percentile – i.e., 19% of other outputs scored the same or lower than it.
So far Altmetric has tracked 7,276 research outputs from this source. They typically receive a little more attention than average, with a mean Attention Score of 5.4. This one is in the 13th percentile – i.e., 13% of its peers scored the same or lower than it.
Older research outputs will score higher simply because they've had more time to accumulate mentions. To account for age we can compare this Altmetric Attention Score to the 354,373 tracked outputs that were published within six weeks on either side of this one in any source. This one is in the 27th percentile – i.e., 27% of its contemporaries scored the same or lower than it.
We're also able to compare this research output to 150 others from the same source and published within six weeks on either side of this one. This one is in the 8th percentile – i.e., 8% of its contemporaries scored the same or lower than it.