Home

Citation: WANG Li, SHAO Li-Min. Influence of Baseline on Target Factor Analysis Results of Fourier Transform Infrared Spectroscopy[J]. Chinese Journal of Analytical Chemistry, ;2021, 49(3): 474-481. doi: 10.19756/j.issn.0253-3820.201615 shu

Influence of Baseline on Target Factor Analysis Results of Fourier Transform Infrared Spectroscopy

WANG Li ,
SHAO Li-Min ^,

Department of Chemistry, University of Science and Technology of China, Hefei 230026, China

Corresponding author: SHAO Li-Min, lshao@ustc.edu.cn
Received Date: 21 October 2020
Revised Date: 30 December 2020

The successful extraction of target spectra from the experimental data matrix by target factor analysis (TFA) without any preprocessing mainly depends on the concentration variance of the corresponding component. When the variance of ammonia concentrations is low and the baseline drift is serious, TFA may yield false negative results, so baseline correction is applied to improve TFA performance. In this study, six sets of data with different concentration variances and baseline drift were used to compare the baseline removal effects of standard normal variate (SNV), multiplicative scatter correction (MSC), linear fitting, wavelet transform (WT) and adaptive iterative reweighted penalty least squares (airPLS). The results showed that WT could effectively remove the baseline, so that more spectral information of ammonia and methane was allocated in the first eigenvectors of principal component analysis (PCA). The allocated information of ammonia and methane could be successfully extracted by TFA.
- Target factor analysis,
- Principal factor number,
- Baseline correction,
- Wavelet transform
1. [1]
2. [2]
3. [3]
4. [4]
5. [5]
6. [6]
7. [7]
8. [8]
9. [9]
10. [10]
11. [11]
12. [12]
13. [13]
14. [14]
15. [15]
16. [16]
17. [17]
18. [18]
19. [19]
20. [20]
21. [21]
1. [1]
  Wenyan Dan , Weijie Li , Xiaogang Wang . The Technical Analysis of Visual Software ShelXle for Refinement of Small Molecular Crystal Structure. University Chemistry, 2024, 39(3): 63-69. doi: 10.3866/PKU.DXHX202302060
2. [2]
  Cuicui Yang , Bo Shang , Xiaohua Chen , Weiquan Tian . Understanding the Wave-Particle Duality and Quantization of Confined Particles Starting from Classic Mechanics. University Chemistry, 2025, 40(3): 408-414. doi: 10.12461/PKU.DXHX202407066
3. [3]
  Yifeng Xu , Jiquan Liu , Bin Cui , Yan Li , Gang Xie , Ying Yang . “Xiao Li’s School Adventures: The Working Principles and Safety Risks of Lithium-ion Batteries”. University Chemistry, 2024, 39(9): 259-265. doi: 10.12461/PKU.DXHX202404009
4. [4]
  Zhifang SU , Zongjie GUAN , Yu FANG . Process of electrocatalytic synthesis of small molecule substances by porous framework materials. Chinese Journal of Inorganic Chemistry, 2024, 40(12): 2373-2395. doi: 10.11862/CJIC.20240290
5. [5]
  Zheqi Wang , Yawen Lin , Shunliu Deng , Huijun Zhang , Jinmei Zhou . Antiviral Strategies: A Brief Review of the Development History of Small Molecule Antiviral Drugs. University Chemistry, 2024, 39(9): 85-93. doi: 10.12461/PKU.DXHX202403108
6. [6]
  Lijuan Wang , Yuping Ning , Jian Li , Sha Luo , Xiongfei Luo , Ruiwen Wang . Enhancing the Advanced Nature of Natural Product Chemistry Laboratory Courses with New Research Findings: A Case Study of the Application of Berberine Hydrochloride in Photodynamic Antimicrobial Films. University Chemistry, 2024, 39(11): 241-250. doi: 10.12461/PKU.DXHX202403017
7. [7]
  Zhuomin Zhang , Hanbing Huang , Liangqiu Lin , Jingsong Liu , Gongke Li . Course Construction of Instrumental Analysis Experiment: Surface-Enhanced Raman Spectroscopy for Rapid Detection of Edible Pigments. University Chemistry, 2024, 39(2): 133-139. doi: 10.3866/PKU.DXHX202308034
8. [8]
  Zhenli Sun , Ning Wang , Kexin Lin , Qin Dai , Yufei Zhou , Dandan Cao , Yanfeng Dang . Visual Analysis of Hotspots and Development Trends in Analytical Chemistry Education Reform. University Chemistry, 2024, 39(11): 57-64. doi: 10.12461/PKU.DXHX202403095
9. [9]
  Zhaoyang Li , Haiyan Zhao , Yali Zhang , Yuan Zhang , Shiqiang Cui . Integration of Nobel Prize Achievements in Analytical Technology with College Instrumental Analysis Course. University Chemistry, 2025, 40(3): 269-276. doi: 10.12461/PKU.DXHX202405131
10. [10]
  Zhening Lou , Quanxing Mao , Xiaogeng Feng , Lei Zhang , Xu Xu , Yuyang Zhang , Xueyan Liu , Hongling Kang , Dongyang Feng , Yongku Li . Practice of Implementing Blended Teaching in Shared Analytical Chemistry Course. University Chemistry, 2024, 39(2): 263-269. doi: 10.3866/PKU.DXHX202308089
11. [11]
  Yan Zhang , Ping Wang , Tiebo Xiao , Futing Zi , Yunlong Chen . Measures for Ideological and Political Construction in Analytical Chemistry Curriculum. University Chemistry, 2024, 39(4): 255-260. doi: 10.3866/PKU.DXHX202401017
12. [12]
  Xiaofei Zhou , Yu-Qing Cao , Feng Zhu , Li Qi , Linhai Liu , Ni Yan , Zhiqiang Zhu . Missions and Challenges of Instrumental Analysis Course in the New Era. University Chemistry, 2024, 39(6): 174-180. doi: 10.3866/PKU.DXHX202310058
13. [13]
  . . Chinese Journal of Inorganic Chemistry, 2024, 40(12): 0-0.
14. [14]
  Zunxiang Zeng , Yuling Hu , Yufei Hu , Hua Xiao . Analysis of Plant Essential Oils by Supercritical CO₂Extraction with Gas Chromatography-Mass Spectrometry: An Instrumental Analysis Comprehensive Experiment Teaching Reform. University Chemistry, 2024, 39(3): 274-282. doi: 10.3866/PKU.DXHX202309069
15. [15]
  Lijun Dong , Pengcheng Du , Guangnong Lu , Wei Wang . Exploration and Practice of Independent Design Experiments in Inorganic and Analytical Chemistry: A Case Study of “Preparation and Composition Analysis of Tetraammine Copper(II) Sulfate”. University Chemistry, 2024, 39(4): 361-366. doi: 10.3866/PKU.DXHX202310041
16. [16]
  Jingyi Chen , Fu Liu , Tiejun Zhu , Kui Cheng . Practice of Integrating Ideological and Political Education into Raman Spectroscopy Analysis Experiment Course. University Chemistry, 2024, 39(2): 140-146. doi: 10.3866/PKU.DXHX202310111
17. [17]
  Wei Shao , Wanqun Zhang , Pingping Zhu , Wanqun Hu , Qiang Zhou , Weiwei Li , Kaiping Yang , Xisheng Wang . Design and Practice of Ideological and Political Cases in the Course of Instrument Analysis Experiment: Taking the GC-MS Experiment as an Example. University Chemistry, 2024, 39(2): 147-154. doi: 10.3866/PKU.DXHX202309048
18. [18]
  Liuchuang Zhao , Wenbo Chen , Leqian Hu . Discussion on Improvement of Teaching Contents about Common Evaluation Parameters in Analytical Chemistry. University Chemistry, 2024, 39(2): 379-391. doi: 10.3866/PKU.DXHX202308079
19. [19]
  Guangming Yang , Yunhui Long . Design and Implementation of Analytical Chemistry Curriculum Based on the Learning Community of Teachers and Students. University Chemistry, 2024, 39(3): 132-137. doi: 10.3866/PKU.DXHX202309089
20. [20]
  Yifan Xie , Liyun Yao , Ruolin Yang , Yuxing Cai , Yujie Jin , Ning Li . Application of Comparative Pedagogy in Instrumental Analysis Experiment Teaching. University Chemistry, 2024, 39(3): 266-273. doi: 10.3866/PKU.DXHX202309068

Get Citation

PDF

XML

Metrics

PDF Downloads(11)
Abstract views(1054)
HTML views(176)

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

Address：Zhongguancun North First Street 2,100190 Beijing, PR China Tel: +86-010-82449177-888

DownLoad: Full-Size Img PowerPoint

Return