Citation: Qing Xiangdong, Wu Hailong, Gu Huiwen, Yin Xiaoli, Wen Jin, Shen Xiangzhong, Yu Ruqin. Removal of Background Drift Nonlinear Interference in 3-D Spectral Arrays for Multi-Way Calibration Using Trilinear Decomposition Methods[J]. Acta Chimica Sinica, ;2016, 74(3): 277-284. doi: 10.6023/A15110704 shu

Removal of Background Drift Nonlinear Interference in 3-D Spectral Arrays for Multi-Way Calibration Using Trilinear Decomposition Methods

Qing Xiangdong ^a,b ,
Wu Hailong ^b,*,, ,
Gu Huiwen ^b ,
Yin Xiaoli ^b ,
Wen Jin ^a ,
Shen Xiangzhong ^a ,
Yu Ruqin ^b

a.
Department of Chemistry and Materials Science, Hunan University of Humanities, Science and Technology, Loudi 417000
b.
State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082

Corresponding author: Wu Hailong, hlwu@hnu.edu.cn
Received Date: 9 November 2015

Fund Project: the High-level Scientific Research Foundation for the Introduction of Talent of Hunan University of Humanities, Science and Technology 8250139the National Natural Science Foundation of China 21221003, 21575039

Figures(8)

Fluorescent and phosphorescent techniques have been widely used in the fields of food, biology, environment, chemistry, medicine, life science and so on. However, the spectral background drift often occurs in the spectral excitation dimension, creating the need for new methods to process this phenomenon. There are many different factors which may lead to this common phenomenon, such as the changes in background noise of instrument or temperature. In the work, a new technique for removal of background drift in three-dimensional spectral arrays is proposed. The basic idea is to perform trilinear decomposition based on the alternating trilinear decomposition (ATLD) algorithm on the instrumental response data. In model building, the background drift is modeled as an additional component or factor as well as the analytes of interest and the interferents. As the optimum number of factors (N) is provided by the core consistency diagnostic (CORCONDIA), the ATLD algorithm is applied to decompose the raw data (X_raw) with the factor number of N, then three profile matrices A, B and C can be obtained. Vectors a_n, b_n and c_n that representing the signal of the background drift can be extracted from these matrices to construct a 3-D background drift data array (X_drift ). After subtracting the X_drift from the X_raw, the background drift is removed, leaving the new data on a flat baseline. Two simulated data sets were firstly employed to demonstrate the reasonability of the new method. The same and different levels of background drifts along the excitation dimension are added into the two simulated data sets, respectively. Then, it is successfully used to analyze two experimental data sets in which significant background drift are present. These results highlight the fact that this technique yields a good removal of background drift. In addition, the good result is obtained by secondary removal for serious background drift. The proposed method can be viewed as a good spectral pretreatment technique.
- chemometrics,
- alternating trilinear decomposition,
- three-dimensional spectral array,
- background drift,
- spectral pretreatment
1. [1]
  Wu, H. L.; Nie, J. F.; Yu, Y. J.; Yu, R. Q. Anal. Chim. Acta 2009, 650, 131.
2. [2]
3. [3]
  Ni, Y. N.; Zhong, X. Z. Chin. Chem. Lett. 2007, 18, 569.
4. [4]
5. [5]
6. [6]
7. [7]
8. [8]
9. [9]
  Harshman, R. A. UCLA Working Papers in Phonetics 1970, 16, 1.
10. [10]
  Wu, H. L.; Shibukawa, M.; Oguma, K. J. Chemom. 1998, 12, 1.
11. [11]
  Chen, Z. P.; Wu, H. L.; Jiang, J. H.; Li, Y.; Yu, R. Q. Chemom. Intell. Lab. Syst. 2000, 52, 75.
12. [12]
  Xia, A. L.; Wu, H. L.; Fang, D. M.; Ding, Y. J.; Hu, L. Q.; Yu, R. Q. J. Chemom. 2005, 19, 65.
13. [13]
  Jiang, J. H.; Wu, H. L.; Chen, Z. P.; Yu, R. Q. Anal. Chem. 1999, 71, 4254.
14. [14]
  Jiang, J. H.; Wu, H. L.; Li, Y.; Yu, R. Q. J. Chemom. 1999, 13, 557.
15. [15]
  Escandar, G. M.; Faber, N. M.; Goicoechea, H. C.; Muñoz, de la Peña, A.; Olivieri, A. C.; Poppi, R. J. Trends Anal. Chem. 2007, 26, 752.
16. [16]
  Moore, A. W.; Jorgenson, J. W. Anal. Chem. 1993, 65, 188.
17. [17]
  Andrew, K. N.; Rutan, S. C.; Worsfold, P. J. Anal. Chim. Acta 1999, 388, 315.
18. [18]
  Boelens, H. F. M.; Dijkstra, R. J.; Eilers, P. H. C.; Fitzpatrick, F.; Westerhuis, J. J. Chromatogr. A 2004, 1057, 21.
19. [19]
  Zhang, Y.; Wu, H. L.; Xia, A. L.; Hu, L. H.; Zou, H. F.; Yu, R. Q. J. Chromatogr. A 2007, 1167, 178.
20. [20]
  Vogt, F.; Rebstock, K.; Tacke, M. Chemom. Intell. Lab. Syst. 2000, 50, 175.
21. [21]
  Hermans, A.; Keithley, R. B.; Kita, J. M.; Sombers, L. A.; Wightman, R. M. Anal. Chem. 2008, 80, 4040.
22. [22]
  Furusjö, E.; Danielsson, L. G. Chemom. Intell. Lab. Syst. 2000, 50, 63.
23. [23]
  Zhang, Z. M.; Chen, S.; Liang, Y. Z.; Liu, Z. X.; Zhang, Q. M.; Ding, L. X. J. Raman Spectrosc. 2010, 4, 659.
24. [24]
  Bro, R.; Kiers, H. A. L. J. Chemom. 2003, 17, 274.
1. [1]
  Mi Wen , Baoshuo Jia , Yongqi Chai , Tong Wang , Jianbo Liu , Hailong Wu . Improvement of Fluorescence Quantitative Analysis Experiment: Simultaneous Determination of Rhodamine 6G and Rhodamine 123 in Food Using Chemometrics-Assisted Three-Dimensional Fluorescence Method. University Chemistry, 2025, 40(4): 390-398. doi: 10.12461/PKU.DXHX202405147
2. [2]
  Yao Chen , Bing Peng , Yuchi Zhao , Xiang Xiao , Tong Wang . Professional Synthesis and Innovation Experiment: Rapid Identification Experiment of Tea Grades Based on Colorimetric Sensor Array and Chemometrics. University Chemistry, 2026, 41(2): 366-374. doi: 10.12461/PKU.DXHX202503043
3. [3]
  Cuijuan Xuan , Jie Wang , Li Yin , Xiuling Xu , Fengyu Du , Lubin Xu , Liangyu Gong . Construction and practice of a “dual-perspective three-dimensional” experimental teaching model enabled by AI-quantum chemistry synergy in the context of new agricultural science. University Chemistry, 2026, 41(7): 67-75. doi: 10.12461/PKU.DXHX202506031
4. [4]
  Ruiqing LIU , Wenxiu LIU , Kun XIE , Yiran LIU , Hui CHENG , Xiaoyu WANG , Chenxu TIAN , Xiujing LIN , Xiaomiao FENG . Three-dimensional porous titanium nitride as a highly efficient sulfur host. Chinese Journal of Inorganic Chemistry, 2024, 40(5): 867-876. doi: 10.11862/CJIC.20230441
5. [5]
  Zhuo WANG , Xiaotong LI , Zhipeng HU , Junqiao PAN . Three-dimensional porous carbon decorated with nano bismuth particles: Preparation and sodium storage properties. Chinese Journal of Inorganic Chemistry, 2025, 41(2): 267-274. doi: 10.11862/CJIC.20240223
6. [6]
  Dawei Zhang , Lei Zhang , Yibo Zhou , Yajie Li , YuPeng Guo . Developing a “One Core, Three Dimensions, Five Integrations” Chemistry Curriculum System for Non-Chemistry Majors at Jilin University. University Chemistry, 2025, 40(12): 147-156. doi: 10.12461/PKU.DXHX202510089
7. [7]
  Ruiying WANG , Hui WANG , Fenglan CHAI , Zhinan ZUO , Benlai WU . Three-dimensional homochiral Eu(Ⅲ) coordination polymer and its amino acid configuration recognition. Chinese Journal of Inorganic Chemistry, 2025, 41(5): 877-884. doi: 10.11862/CJIC.20250052
8. [8]
  Xichen YAO , Shuxian WANG , Yun WANG , Cheng WANG , Chuang ZHANG . Oxygen reduction performance of self?supported Fe/N/C three-dimensional aerogel catalyst layers. Chinese Journal of Inorganic Chemistry, 2025, 41(7): 1387-1396. doi: 10.11862/CJIC.20240384
9. [9]
  Xiaoying ZHENG , Shan FAN , Qinjin DAI , Wei DONG , Mengxue WANG , Yicheng REN , Yong ZHANG . Preparation of three-dimensional flower-like δ-MnO₂ cathode materials and its aqueous zinc-ion battery performance. Chinese Journal of Inorganic Chemistry, 2026, 42(5): 925-932. doi: 10.11862/CJIC.20250352
10. [10]
  Dandan Wang , Xiaowan Liu , Fangxin Liu , Xiao Bai , Lihua Guo , Peng Liu , Yuanyuan Feng , Peiwei Gong . Comprehensive experiment design based on science-education integration: synthesis and performance study of three-dimensional graphene hydrogel/aerogel. University Chemistry, 2026, 41(7): 334-341. doi: 10.12461/PKU.DXHX202506029
11. [11]
  Linghua Chen . 基于双联动“三学”模式的食品专业分析化学教学改革. University Chemistry, 2025, 40(8): 78-91. doi: 10.12461/PKU.DXHX202409095
12. [12]
  Hongxiao Yang , Zhilian Liu , Weimin Zhang , Jitao Liu . Integratingscenario, knowledge, and problem lines in a problem-driven framework: teaching thermodynamics and kinetics in general chemistry. University Chemistry, 2026, 41(6): 100-107. doi: 10.12461/PKU.DXHX202511184
13. [13]
  Lili Wen , Fangfang Pan , Fahui Song , Shenglong Chen , Dan Zhang , Yan Zeng . “四融三度四维”高质量“普通化学原理”课程构建探索. University Chemistry, 2026, 41(9): 116-125. doi: 10.12461/PKU.DXHX202509069
14. [14]
  Jing Li , Liang Wang , Yuxin Luan , Chan Cao , Chuanzheng Zhou . Teaching Reform and Reflections on Chemical Biology in the Context of “New Medical Science” Education. University Chemistry, 2026, 41(2): 140-145. doi: 10.12461/PKU.DXHX202502041
15. [15]
  Xiaohui Huang , Weina Song , Yanhong Zhao , Yinan Yuan , Yang Bai , Zilong Dong . Reform and Practice of the “Two-Line, Three-Integration, Four-in-One” Teaching Model for Cultivating Applied Innovative Mineral Processing Talents in the Context of New Engineering Education: A Case Study of Physical Chemistry. University Chemistry, 2026, 41(4): 112-120. doi: 10.12461/PKU.DXHX202502012
16. [16]
  Zhiwen HUANG , Qi LIU , Jianping LANG . W/Cu/S cluster-based supramolecular macrocycles and their third-order nonlinear optical responses. Chinese Journal of Inorganic Chemistry, 2025, 41(1): 79-87. doi: 10.11862/CJIC.20240184
17. [17]
  Zengyong Chu , Tianjiao Hu , Zhenhua Jiang , Xiaojie Wang , Ye Zhang , Xiaodong Li . Trinity and four-dimensional synergy: construction and practice of a model ideological-political course in “chemical principles of military high technology”. University Chemistry, 2026, 41(7): 76-84. doi: 10.12461/PKU.DXHX202506091
18. [18]
  Zhangshu Wang , Xin Zhang , Jixin Han , Xuebing Fang , Xiufeng Zhao , Zeyu Gu , Jinjun Deng . Exploration and Design of Experimental Teaching on Ultrasonic-Enhanced Synergistic Treatment of Ternary Composite Flooding Produced Water. University Chemistry, 2024, 39(5): 116-124. doi: 10.3866/PKU.DXHX202310056
19. [19]
  Xiaohang JIN , Qi LIU , Jianping LANG . Room‑temperature solid‑state synthesis, structure, and third‑order nonlinear optical properties of phosphine‑ligand‑protected silver thiolate clusters. Chinese Journal of Inorganic Chemistry, 2025, 41(8): 1505-1512. doi: 10.11862/CJIC.20250125
20. [20]
  Yujie WANG , Laobang WANG , Zheng ZHANG , Qi LIU , Jianping LANG . Construction of W/Cu/S cluster-based supramolecular compounds via alkynyl/sulfur cycloaddition and their third-order nonlinear optical properties. Chinese Journal of Inorganic Chemistry, 2025, 41(10): 2069-2077. doi: 10.11862/CJIC.20250129

Get Citation

PDF

XML

Metrics

PDF Downloads(0)
Abstract views(3616)
HTML views(800)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142