| 光谱学与光谱分析 |
|
|
|
|
|
| Multidimensional Scaling Linear Regression Applied to FTIR Spectral Quantitative Analysis of Clinical Parameters of Human Blood Serum |
| CHEN Hua-zhou, SONG Qi-qing, SHI Kai, JIA Zhen |
| College of Science, Guilin University of Technology, Guilin 541004, China |
|
|
|
|
Abstract In the present paper it was proposed to establish multidimensional scaling linear regression (MDS-MLR) models by combining multidimensional scaling (MDS) with multiple linear regression (MLR), in which MDS owns the ability of dimensionality reduction on spectral variables. Thus the informative spectral wavelengths can be selected for each of the 4 clinical parameters (i.e. glucose, LDL cholesterol, triglycerides and urea) by MDS-MLR method, and the effect of spectral colinearity can be restrained, so that the calibration models can be optimized. Experiments showed that the MDS-MLR models will allow to produce appreciated modeling results when combined with the preprocessing method of moving average (MA). The optimized models were verified by the samples in validation set, and the validating correlation coefficients for each clinical parameter were all upper than 0.9. These results indicated that FTIR predicted values and the biochemical values of each clinical parameter were highly correlated, which demonstrated that MDS-MLR method has the potential of being applied to the FTIR spectroscopic analysis of human serum. FTIR rapid determination technology combined with the MDS-MLR modeling method is expected to realize the rapid assessment of human health and sub-health level.
|
|
Received: 2014-03-28
Accepted: 2014-07-05
|
|
|
|
Corresponding Authors:
CHEN Hua-zhou
E-mail: huazhouchen@163.com
|
|
[1] Nicolaou N, Xu Y, Goodacre R. Analytical Chemistry, 2011, 83: 5681.
[2] YAO Ge, CAO Ying, FAN Chong-xu, et al(姚 戈, 曹 瑛, 范崇旭, 等). Journal of Chinese Mass Spectrometry Society(质谱学报), 2013, 34(3): 129.
[3] WANG Yong, LI Zhong-feng, CHEN Jian-xin, et al(王 勇, 李中峰, 陈建新, 等). Chinese Journal of Analytical Chemistry(分析化学), 2011, 39(8): 1274.
[4] Mouwen D J M , Hrman A, Korkeala H, et al. Vibrational Spectroscopy, 2011, 56: 193.
[5] Chen Huazhou, Tang Guoqiang, Song Qiqing, et al. Analytical Letters, 2013, 46(13): 2060.
[6] ZHAO Cong, SHEN Ya-zhen, ZHOU Jian-min, et al(赵 聪, 申亚珍, 周健民, 等). Chinese Journal of Analytical Chemistry(分析化学), 2010, 38(8): 1186.
[7] Eikje N S, Aizawa K, Ozaki Y. Biotechnology Annual Review, 2005, 11: 191.
[8] Wartewig S, Neubert R H. Advanced Drug Delivery Reviews, 2005, 57: 1144.
[9] Gunasekaran S, Renuga Devi T S, Sreenivasakumar M, et al. Microbiology, Biotechnology & Environmental Sciences, 2007, 9: 281.
[10] Shaw A, Liu K Z, Man A, et al. Clinical Chemistry, 2002, 48: 499.
[11] Savitzky A, Golay M J E. Analytical Chemistry, 1964, 36(8): 1627.
[12] Glasbey C A, Jones R. Pattern Recognition Letters, 1997, 18: 555.
[13] Wan Junhui, Tian Peiling, Yin Hao, et al. Clinical Biochemistry, 2013, 46(1-2): 128.
[14] HAO Hui-min, QIAO Cong-ming, TANG Xiao-jun, et al(郝惠敏, 乔聪明, 汤晓君, 等). Journal of Infrared and Millimeter Waves(红外与毫米波学报), 2009, 28(2): 115.
[15] Igne B, Reeves III J B, McCarty G, et al. Journal of Near Infrared Spectroscopy, 2010, 18(3): 167.
[16] Chen Huazhou, Ai Wu, Feng Quanxi, et al. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2014, 118: 752.
[17] Kruskal J B. Psychometrika, 1964, 29(1): 1.
[18] Galvo R K H, Araujo M C U, José G E, et al. Talanta, 2005, 67: 736. |
| [1] |
HU Bin1, 2, WANG Pei-fang1, 2*, ZHANG Nan-nan3, SHI Yue4, BAO Tian-li1, 2, JIN Qiu-tong1, 2. Effect of pH on Interaction Between Dissolved Organic Matter and Copper: Based on Spectral Features[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(05): 1628-1635. |
| [2] |
LI Huan-tong1, 2, ZHU Zhi-rong1, 2, QIAO Jun-wei1, 2, LI Ning3, YAO Zheng3, HAN Wei1, 2. Molecular Representations of Jurassic-Aged Vitrinite-Rich and
Inertinite-Rich Coals in Northern Shannxi Province by
FTIR, XPS and 13C NMR[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(08): 2624-2630. |
| [3] |
XUE Xin-xin, WANG Wen-bin, LUO Xue-hua, ZHANG Yong-fa, ZHAO Chun-mei. FTIR Spectroscopic Characterization of Material Composition in Leaf of Hevea Brasiliensis Seedlings Under Potassium and Magnesium Deficiency[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(01): 74-79. |
| [4] |
REN Shuang-zan1, WANG Jing-wei2, GAO Liang-liang2, ZHU Hong-mei1, WU Hao1, LIU Jing1, TANG Xiao-jun2*, WANG Bin2. A Novel Compensation Method of Gas Absorption Spectrum Based on Time-Sharing Scanning Spectra and Double Gas Cell Switching[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2021, 41(11): 3438-3443. |
| [5] |
ZHOU Jing1,2, ZHANG Qing-qing1,2, JIANG Jin-guo2, NIE Qian2, BAI Zhong-chen1, 2*. Study on the Rapid Identification of Flavonoids in Chestnut Rose (Rosa Roxburghii Tratt) by FTIR[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2021, 41(10): 3045-3050. |
| [6] |
CHEN Nan1, 2, WANG Yue1, 4, WANG Bo-yu1, 3, XIA Yang1, 2, 4, LIU Tao1, 4*. Research on Numerical Model of Nano-FTIR System Based on COMSOL[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2021, 41(04): 1125-1130. |
| [7] |
SUN Hai-yan1, 2, JIA Ru1, 2, WU Yan-hua2, ZHOU Liang3, LIU Sheng-quan3, WANG Yu-rong1, 2*. Rapid Detection of Microstructural Characteristics of Heartwood and Sapwood of Chinese Fir Clones[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2020, 40(01): 184-188. |
| [8] |
WANG Li-qin, YOU Rui, ZHAO Xing. Study of the Influence of Common Gas Pollutants on the Silk Fabric Structures Based on Infrared Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2019, 39(12): 3681-3685. |
| [9] |
YUE Kong1, CHENG Xiu-cai2, JIA Chong3, LIU Wei-qing1, LU Wei-dong1. The Influence of Elevated Temperatures on Wood-Adhesive Joints by Fourier Infrared Spectrum Analysis[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2019, 39(10): 3179-3183. |
| [10] |
WANG Xin1, 2, Lü Shi-long2, CHEN Xia3. Automatic Algorithm for Water Vapor Compensation of Gas Spectra Through Iterative Least Square Method[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2019, 39(01): 20-25. |
| [11] |
SUN Ning-jie1, CAI Xiao-li1, ZHANG Yue-fei1, CHI Ru-an1*, Yunjie Xu2*. The Conformation of Sophocarpidin by Vibrational Circular Dichroism and DFT Calculations[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2018, 38(09): 2806-2813. |
| [12] |
WANG Shuai1,2, XU Jun-ping1, CHEN Dian-yuan1*, JIANG Shuai1, LI Xing-ji1, SHENG Bing-han1, Schaeffer Sean2. Structure Characteristics of Mineral-Microbial Residues Formed by Microbial Utilization of Lignin Based on the Participations of Different Clay Mineral Types[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2018, 38(09): 2903-2909. |
| [13] |
WANG Shuai1, XU Jun-ping1, WANG Nan1, LEI Wan-ying1, FAN Xi-yan1, DOU Sen2, 3*. Structural Characteristics of Mineral-Microbial Residues Formed by Microbial Utilization of Lignin Joined with Fe, Al, Mn-Oxides Based on FT-IR and SEM Techniques[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2018, 38(07): 2086-2093. |
| [14] |
LIU Cang-wei1, SU Ming-lei1, 2，ZHOU Xian-wu1, ZHAO Rong-jun1, LU Jian-xiong1, WANG Yu-rong1, 2*. Analysis of Content and Distribution of Lignin in Cell Wall of Transgenic Poplar with Fourier Infrared Spectrun (FTIR) and Confocal Laser Scanning Microscopy (CLSM)[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2017, 37(11): 3404-3408. |
| [15] |
SHANG Jian-li, ZONG Zhi-fang*, SONG Dong-yi, TIAN Ye. Study on Preparation Mechanism of Ce-La/TiO2 Composites and Photocatalytic-Mositure-Heat Properties Based on FTIR and UV-Vis Spectra[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2017, 37(06): 1728-1732. |
|
|
|
|
