Citation: ZHANG Jing-Shun, ZHANG Guan-Nan, ZHAO Liu-Yang, WANG Xin, ZHU Jun, JIANG Hong, LIU Zhan-Fang. Feature Selection of Diesel Fuel Using Pixel and Peak Table-based Analysis by Comprehensive Two-Dimensional Gas Chromatography-Mass Spectrometry[J]. Chinese Journal of Analytical Chemistry, ;2021, 49(8): 1318-1326. doi: 10.19756/j.issn.0253-3820.201624 shu

Feature Selection of Diesel Fuel Using Pixel and Peak Table-based Analysis by Comprehensive Two-Dimensional Gas Chromatography-Mass Spectrometry

1.
School of Investigate, People's Public Security University of China, Beijing 100038, China;
2.
Institute of Forensic Science, Ministry of Public Security, Beijing 100038, China;
3.
School of Information Network Security, People's Public Security University of China, Beijing 100038, China

Corresponding author: JIANG Hong, LIU Zhan-Fang,
Received Date: 25 October 2020
Revised Date: 30 March 2021

Fund Project: Supported by the National Key Research and Development Program of China (No.2017YFC0803804) and the Technical Research Plan of the Ministry of Public Security of China (No.2016JSYJB09).

Diesel fuel is one of ignitable liquid with complex components. Different crude oil source and production process would cause differences in its components and content. To select feature components of diesel fuel based on the regional information, 36 samples of 0# diesel fuel, collected from different refineries in China, were taken as the research objects in this work. Comprehensive two-dimensional gas chromatography-mass spectrometry (GC×GC-MS) was used to test diesel fuel, which could greatly reduce the co-elution of diesel fuel components. Additionally, under the experimental conditions such as direct injection and using polar-nonpolar column system, the peak capacity was calculated. The contour plots that were suitable for fingerprinting analysis were obtained, and the family distribution of diesel fuel was qualitatively analyzed. The preprocessing and chemometric methods of pixel-based F-ratio and peak table-based partial least squares-discrimination analysis (PLS-DA) were used to select the comprehensive two-dimensional gas chromatography data of diesel fuel. Finally, the results showed that C16-C20 alkanes and C7-C12 monocyclic aromatic hydrocarbons differed greatly among diesel fuel samples in different regions. By comparing the process and the results of two methods, the characteristics of the pixel-based method for processing comprehensive two-dimensional gas chromatography data matrix was introduced. The feature selection methods could be taken as a reference for processing experimental data of GC×GC-MS.
- Comprehensive two-dimensional gas chromatography-mass spectrometry,
- Diesel fuel,
- Pixel-based,
- F-ratio,
- Peak table-based,
- Partial least squares-discrimination analysis
1. [1]
2. [2]
3. [3]
  ASTM E1618-19.Standard Test Method for Ignitable Liquid Residues in Extracts from Fire Debris Samples by Gas Chromatography-Mass Spectrometry. American Society for Testing and Materials.
4. [4]
  TAYLOR C M, ROSENHAN A K, RAINES J M, RODRIGUEZ J M. J. Forensic Res., 2012, 3(9): 169-179.
5. [5]
  SAMPAT A A S, VAN DAELEN B, LOPATKA M, MOL H, VAN DER WEG G, VIVÒ-TRUYOLS G, SJERPS M, SCHOENMAKERS P J, VAN ASTEN A C. Separations, 2018, 5(3): 43.
6. [6]
  SAMPAT A A S, LOPATKA M, SJERPS M, VIVO-TRUYOLS, G, SCHOENMAKERS P J, VAN ASTEN A C. TrAC-Trends Anal. Chem., 2016, 80: 345-363.
7. [7]
  GRUBER B, WEGGLER B A, JARAMILLO R, MURRELL K A, PIOTROWSKI P K, DORMAN F L. TrAC-Trends Anal. Chem., 2018, 105: 292-301.
8. [8]
  JENNERWEIN M, ESCHNER M, WILHARM T, GRÖGER T, ZIMMERMANN R. Fuel, 2019, 235: 336-338.
9. [9]
  NIZIO K D, COCHRAN J W, FORBES S L. Separations, 2016, 3(3): 26.
10. [10]
  STAUFFER E, DOLANJ A, NEWMAN R. Fire Debris Analysis. London: Academic Press, 2008: 507.
11. [11]
  FREYE C E, BOWDEN P R, GREENFIELD M T, TAPPAN B C. Talanta, 2020, 211: 120668.
12. [12]
  GRÖGER T, SCHÄFFER M, PÜTZ M, AHRENS B, DREW K, ESCHNER M, ZIMMERMANN R. J. Chromatogr. A, 2008, 1200(1): 8-16.
13. [13]
  GROGER T, WELTHAGEN W, MITSCHKE S, SCHAFFER M, ZIMMERMANN R. J. Sep. Sci., 2008, 31(19): 3366-3374.
14. [14]
  FURBO S, HANSEN A B, SKOV T, CHRISTENSEN J H. Anal. Chem., 2014, 86(15): 7160-7170.
15. [15]
  ABRAHAMSSON V, RISTIC N, FRANZ K, VAN GEEM K. J. Chromatogr. A, 2017, 1501: 89-98.
16. [16]
  PARSONS B A, MARNEY L C, SIEGLER W C, HOGGARD J C, WRIGHT B W, SYNOVEC R E. Anal. Chem., 2015, 87(7): 3812-3819.
17. [17]
  SUDOL P E, GOUGH D V, PREBIHALO S E, SYNOVEC R E. Talanta, 2020, 206: 120239.
18. [18]
  MURRAY J A. J. Chromatogr. A, 2012, 1261: 58-68.
19. [19]
  JOHNSON K J, SYNOVEC R E. Chemom. Intell. Lab. Syst., 2002, 60(1-2): 225-237.
20. [20]
  ALIAKBARZADEH G, PARASTAR H, SERESHTI H. Chemom. Intell. Lab. Syst., 2016, 158: 165-173.
21. [21]
  SCHÖNEICH S, TRINKLEIN T J, WARREN C G, SYNOVEC R E. Anal. Chim. Acta, 2020, 1134: 115-124.
22. [22]
  KLEE M S, COCHRAN J, MERRICK M, BLUMBERG L M. J. Chromatogr. A, 2015: 1383: 151-159.
23. [23]
  QUIROZ-MORENO C, FURLAN M F, BELINATO J R, AUGUSTOB F, ALEXANDRINOC G L, MOGOLLÓN N G S. Microchem. J., 2020: 104830.
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沈阳化工大学材料科学与工程学院沈阳 110142