PMID- 34741365
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20211213
LR  - 20211214
IS  - 1097-0231 (Electronic)
IS  - 0951-4198 (Linking)
VI  - 36
IP  - 2
DP  - 2022 Jan 30
TI  - An overlapping peaks separation algorithm for ion mobility spectrometry based on 
      second-order differentiation and dynamic inertia weight particle swarm 
      optimization algorithm.
PG  - e9220
LID - 10.1002/rcm.9220 [doi]
AB  - RATIONALE: Ion mobility spectrometry (IMS) is a powerful analytical tool 
      extensively applied in numerous domains. However, there still exists the 
      phenomenon of peaks overlapping in the analysis of isomers with similar 
      structures due to the limited resolution of IMS. In this paper, a dynamic inertia 
      weight particle swarm optimization (DIWPSO) algorithm combined with second-order 
      differentiation is proposed to separate the IMS overlapping peaks efficiently and 
      precisely. METHODS: It can identify the component number of overlapping peaks and 
      limit those parameters (ion mobility, intensity, and full-width at half maximum 
      of each single peak) of the peak model in a small range using second-order 
      differentiation. Based on this, DIWPSO that has been set the best operating 
      parameters is capable of accurately separating IMS overlapping peaks to identify 
      the compound within a short time. RESULTS: A comparison between the performance 
      of DIWPSO and the improved particle swarm optimization (IPSO) found that DIWPSO 
      with separation errors less than 2.34% overall outperforms IPSO whose maximum 
      error is up to 5.58%. Moreover, the running time of DIWPSO is 30-80 times less 
      than that of IPSO, and DIWPSO exhibits stronger robustness. CONCLUSIONS: This 
      method can automatically identify the component number of IMS overlapping peaks 
      and resolve them with muticomponents and different overlapped degrees rapidly and 
      accurately, which further improves the structural resolution of IMS.
CI  - (c) 2021 John Wiley & Sons Ltd.
FAU - Gao, Ren
AU  - Gao R
AD  - Faculty of Electrical Engineering and Computer Science, Ningbo University, 
      Ningbo, 315211, China.
AD  - Institute of Mass Spectrometry, Ningbo University, Ningbo, 315211, China.
FAU - Li, Junhui
AU  - Li J
AUID- ORCID: 0000-0001-5470-225X
AD  - Faculty of Electrical Engineering and Computer Science, Ningbo University, 
      Ningbo, 315211, China.
AD  - Institute of Mass Spectrometry, Ningbo University, Ningbo, 315211, China.
FAU - Gao, Wenqing
AU  - Gao W
AD  - Institute of Mass Spectrometry, Ningbo University, Ningbo, 315211, China.
AD  - School of Material Science and Chemical Engineering, Ningbo University, Ningbo, 
      315211, China.
FAU - Li, Lei
AU  - Li L
AD  - Institute of Mass Spectrometry, Ningbo University, Ningbo, 315211, China.
AD  - School of Material Science and Chemical Engineering, Ningbo University, Ningbo, 
      315211, China.
FAU - Wang, Xinkai
AU  - Wang X
AD  - Faculty of Electrical Engineering and Computer Science, Ningbo University, 
      Ningbo, 315211, China.
AD  - Institute of Mass Spectrometry, Ningbo University, Ningbo, 315211, China.
FAU - Wu, Bing
AU  - Wu B
AD  - Faculty of Electrical Engineering and Computer Science, Ningbo University, 
      Ningbo, 315211, China.
AD  - Institute of Mass Spectrometry, Ningbo University, Ningbo, 315211, China.
FAU - Wu, Yong
AU  - Wu Y
AUID- ORCID: 0000-0002-6133-9345
AD  - Institute of Mass Spectrometry, Ningbo University, Ningbo, 315211, China.
AD  - School of Material Science and Chemical Engineering, Ningbo University, Ningbo, 
      315211, China.
FAU - Yu, Jiancheng
AU  - Yu J
AD  - Faculty of Electrical Engineering and Computer Science, Ningbo University, 
      Ningbo, 315211, China.
AD  - Institute of Mass Spectrometry, Ningbo University, Ningbo, 315211, China.
LA  - eng
GR  - 2020C03064/Key Research and Development Program of Zhejiang/
GR  - 2021S130/Ningbo Science and Technology Plan Project/
GR  - xkzwl1507/K.C. Wong Magna Fund in Ningbo University/
GR  - 2018B10075/Science and Technology Major Project of Ningbo/
GR  - 61971248/National Natural Science Foundation of China/
GR  - U20A20121/National Natural Science Foundation of China/
PT  - Journal Article
PL  - England
TA  - Rapid Commun Mass Spectrom
JT  - Rapid communications in mass spectrometry : RCM
JID - 8802365
SB  - IM
EDAT- 2021/11/07 06:00
MHDA- 2021/11/07 06:01
CRDT- 2021/11/06 06:19
PHST- 2021/10/25 00:00 [revised]
PHST- 2021/08/07 00:00 [received]
PHST- 2021/11/03 00:00 [accepted]
PHST- 2021/11/07 06:00 [pubmed]
PHST- 2021/11/07 06:01 [medline]
PHST- 2021/11/06 06:19 [entrez]
AID - 10.1002/rcm.9220 [doi]
PST - ppublish
SO  - Rapid Commun Mass Spectrom. 2022 Jan 30;36(2):e9220. doi: 10.1002/rcm.9220.