| Title |
Chemometric Data Analysis for Deconvolution of Overlapped Ion Mobility Profiles
|
|---|---|
| Published in |
Journal of the American Society for Mass Spectrometry, September 2012
|
| DOI | 10.1007/s13361-012-0471-2 |
| Pubmed ID | |
| Authors |
Behrooz Zekavat, Touradj Solouki |
| Abstract |
We present the details of a data analysis approach for deconvolution of the ion mobility (IM) overlapped or unresolved species. This approach takes advantage of the ion fragmentation variations as a function of the IM arrival time. The data analysis involves the use of an in-house developed data preprocessing platform for the conversion of the original post-IM/collision-induced dissociation mass spectrometry (post-IM/CID MS) data to a Matlab compatible format for chemometric analysis. We show that principle component analysis (PCA) can be used to examine the post-IM/CID MS profiles for the presence of mobility-overlapped species. Subsequently, using an interactive self-modeling mixture analysis technique, we show how to calculate the total IM spectrum (TIMS) and CID mass spectrum for each component of the IM overlapped mixtures. Moreover, we show that PCA and IM deconvolution techniques provide complementary results to evaluate the validity of the calculated TIMS profiles. We use two binary mixtures with overlapping IM profiles, including (1) a mixture of two non-isobaric peptides (neurotensin (RRPYIL) and a hexapeptide (WHWLQL)), and (2) an isobaric sugar isomer mixture of raffinose and maltotriose, to demonstrate the applicability of the IM deconvolution. |
X Demographics
The data shown below were collected from the profile of 1 X user who shared this research output. Click here to find out more about how the information was compiled.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| United States | 1 | 100% |
Demographic breakdown
| Type | Count | As % |
|---|---|---|
| Scientists | 1 | 100% |
Mendeley readers
The data shown below were compiled from readership statistics for 41 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| France | 1 | 2% |
| United Kingdom | 1 | 2% |
| Canada | 1 | 2% |
| Singapore | 1 | 2% |
| Spain | 1 | 2% |
| Unknown | 36 | 88% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Student > Ph. D. Student | 19 | 46% |
| Researcher | 5 | 12% |
| Student > Doctoral Student | 3 | 7% |
| Student > Bachelor | 3 | 7% |
| Other | 2 | 5% |
| Other | 7 | 17% |
| Unknown | 2 | 5% |
| Readers by discipline | Count | As % |
|---|---|---|
| Chemistry | 27 | 66% |
| Computer Science | 2 | 5% |
| Biochemistry, Genetics and Molecular Biology | 2 | 5% |
| Physics and Astronomy | 2 | 5% |
| Psychology | 1 | 2% |
| Other | 3 | 7% |
| Unknown | 4 | 10% |
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 08 September 2012.
All research outputs
#17,286,379
of 25,374,917 outputs
Outputs from Journal of the American Society for Mass Spectrometry
#2,723
of 3,834 outputs
Outputs of similar age
#123,811
of 187,001 outputs
Outputs of similar age from Journal of the American Society for Mass Spectrometry
#26
of 65 outputs
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