Baseline correction combined partial least squares algorithm and its application in on-line Fourier transform infrared quantitative analysis
文献类型：期刊论文
| 作者 | Peng, Jiangtao1; Peng, Silong ; Xie, Qiong; Wei, Jiping2
|
| 刊名 | ANALYTICA CHIMICA ACTA
 |
| 出版日期 | 2011-04-01 |
| 卷号 | 690期号:2页码:162-168 |
| 关键词 | Attenuated total reflectance Fourier transform infrared Baseline correction Partial Least Squares Weight selection |
| 英文摘要 | In order to eliminate the lower order polynomial interferences, a new quantitative calibration algorithm "Baseline Correction Combined Partial Least Squares (BCC-PLS)", which combines baseline correction and conventional PLS, is proposed. By embedding baseline correction constraints into PLS weights selection, the proposed calibration algorithm overcomes the uncertainty in baseline correction and can meet the requirement of on-line attenuated total reflectance Fourier transform infrared (ATR-FTIR) quantitative analysis. The effectiveness of the algorithm is evaluated by the analysis of glucose and marzipan ATR-FTIR spectra. BCC-PLS algorithm shows improved prediction performance over PLS. The root mean square error of cross-validation (RMSECV) on marzipan spectra for the prediction of the moisture is found to be 0.53%, w/w (range 7-19%). The sugar content is predicted with a RMSECV of 2.04%, w/w (range 33-68%). (C) 2011 Elsevier B.V. All rights reserved. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Chemistry, Analytical |
| 研究领域[WOS] | Chemistry |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000289453600003 |
| 源URL | [http://ir.ia.ac.cn/handle/173211/2897]  |
| 专题 | 自动化研究所_智能制造技术与系统研究中心_多维数据分析团队 |
| 作者单位 | 1.Chinese Acad Sci, Inst Automat, Natl Engn & Technol Res Ctr ASIC Design, Beijing 100190, Peoples R China 2.Food Res Inst Tianshili Grp, Tianjin 300410, Peoples R China |
| 推荐引用方式 GB/T 7714 | Peng, Jiangtao,Peng, Silong,Xie, Qiong,et al. Baseline correction combined partial least squares algorithm and its application in on-line Fourier transform infrared quantitative analysis[J]. ANALYTICA CHIMICA ACTA,2011,690(2):162-168. |
| APA | Peng, Jiangtao,Peng, Silong,Xie, Qiong,&Wei, Jiping.(2011).Baseline correction combined partial least squares algorithm and its application in on-line Fourier transform infrared quantitative analysis.ANALYTICA CHIMICA ACTA,690(2),162-168. |
| MLA | Peng, Jiangtao,et al."Baseline correction combined partial least squares algorithm and its application in on-line Fourier transform infrared quantitative analysis".ANALYTICA CHIMICA ACTA 690.2(2011):162-168. |
入库方式： OAI收割
来源：自动化研究所
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