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Combining a Deconvolution and a Universal Library Search Algorithm for the Nontarget Analysis of Data-Independent Acquisition Mode Liquid Chromatography−High-Resolution Mass Spectrometry Results

Overview of attention for article published in Environmental Science & Technology, March 2018
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About this Attention Score

  • In the top 25% of all research outputs scored by Altmetric
  • Good Attention Score compared to outputs of the same age (70th percentile)
  • Above-average Attention Score compared to outputs of the same age and source (57th percentile)

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Title
Combining a Deconvolution and a Universal Library Search Algorithm for the Nontarget Analysis of Data-Independent Acquisition Mode Liquid Chromatography−High-Resolution Mass Spectrometry Results
Published in
Environmental Science & Technology, March 2018
DOI 10.1021/acs.est.8b00259
Pubmed ID
Authors

Saer Samanipour, Malcolm J. Reid, Kine Bæk, Kevin V. Thomas

Abstract

Non-target analysis is considered one of the most comprehensive tools for identification of unknown compounds in a complex sample analyzed via liquid chromatography coupled to high resolution mass spectrometry (LC-HRMS). Due to the complexity of the data generated via LC-HRMS, the data dependent acquisition mode, which produces the MS2 spectra of a limited number of the precursor ions, has been one of the most common approaches used during non-target screening. On the other hand, data independent acquisition mode produces highly complex spectra that require proper deconvolution and library search algorithms. We have developed a deconvolution algorithm and a universal library search algorithm (ULSA) for the analysis of complex spectra generated via data independent acquisition. These algorithms were validated and tested using both semi-synthetic and real environmental data. Six thousand randomly selected spectra from MassBank were introduced across the total ion chromatograms of 15 sludge extracts at three levels of background complexity for the validation of the algorithms via semi-synthetic data. The deconvolution algorithm successfully extracted more than 60% of the added ions in the analytical signal for 95% of processed spectra (i.e. 3 complexity levels x 6,000 spectra). The ULSA ranked the correct spectra among the top three for more than 95% of cases. We further tested the algorithms with five wastewater effluent extracts for 59 artificial unknown analytes (i.e. their presence or absence was confirmed via target analysis). These algorithms did not produce any cases of false identifications while correctly identifying ~ 70% of the total inquiries. The implications, capabilities, and the limitations of both algorithms are further discussed.

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Mendeley readers

Mendeley readers

The data shown below were compiled from readership statistics for 70 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Unknown 70 100%

Demographic breakdown

Readers by professional status Count As %
Student > Ph. D. Student 17 24%
Student > Master 10 14%
Researcher 8 11%
Student > Bachelor 5 7%
Professor 3 4%
Other 7 10%
Unknown 20 29%
Readers by discipline Count As %
Chemistry 18 26%
Environmental Science 9 13%
Pharmacology, Toxicology and Pharmaceutical Science 3 4%
Biochemistry, Genetics and Molecular Biology 3 4%
Chemical Engineering 1 1%
Other 4 6%
Unknown 32 46%
Attention Score in Context

Attention Score in Context

This research output has an Altmetric Attention Score of 6. 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 22 June 2021.
All research outputs
#6,352,045
of 25,728,855 outputs
Outputs from Environmental Science & Technology
#7,808
of 21,029 outputs
Outputs of similar age
#102,413
of 348,560 outputs
Outputs of similar age from Environmental Science & Technology
#113
of 265 outputs
Altmetric has tracked 25,728,855 research outputs across all sources so far. Compared to these this one has done well and is in the 75th percentile: it's in the top 25% of all research outputs ever tracked by Altmetric.
So far Altmetric has tracked 21,029 research outputs from this source. They typically receive a lot more attention than average, with a mean Attention Score of 17.9. This one has gotten more attention than average, scoring higher than 62% of its peers.
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 348,560 tracked outputs that were published within six weeks on either side of this one in any source. This one has gotten more attention than average, scoring higher than 70% of its contemporaries.
We're also able to compare this research output to 265 others from the same source and published within six weeks on either side of this one. This one has gotten more attention than average, scoring higher than 57% of its contemporaries.