银镜增强的近红外漫反射光谱法测定血清尿素

doi:10.7503/cjcu20170313

高等学校化学学报 ›› 2017, Vol. 38 ›› Issue (11): 1947.doi: 10.7503/cjcu20170313

银镜增强的近红外漫反射光谱法测定血清尿素

王翠翠¹, 于晓明², 蔡文生¹, 邵学广^1,³()

1. 南开大学化学学院分析科学研究中心, 天津市生物传感与分子识别重点实验室,天津化学化工协同创新中心, 南开大学药物化学生物学国家重点实验室, 天津 300071
2. 高密市人民医院检验科, 高密 261500
3. 喀什大学化学与环境科学学院, 喀什 844006

收稿日期:2017-05-18 出版日期:2017-11-10 发布日期:2017-10-16
作者简介:联系人简介: 邵学广, 男, 博士, 教授, 博士生导师, 主要从事复杂体系分析与化学计量学方法方面的研究. E-mail: xshao@nankai.edu.cn
基金资助:
国家自然科学基金(批准号: 21475068 )资助

Determination of Serum Urea by Near-infrared Diffuse Reflectance Spectroscopy Using Silver Mirror for Enhancing the Detectability^†

WANG Cuicui¹, YU Xiaoming², CAI Wensheng¹, SHAO Xueguang^1,^3,^*()

1.Research Center for Analytical Sciences, College of Chemistry, Nankai University, Tianjin Key Laboratory of Biosensing and Molecular Recognition, Collaborative Innovation Center of Chemical Science and Engineering(Tianjin),State Key Laboratory of Medicinal Chemical Biology(Nankai University), Tianjin 300071, China
2. Laboratory of Clinic, People’s Hospital of Gaomi City, Gaomi 261500, China
3. College of Chemistry and Environmental Science, Kashgar University, Kashgar 844006, China

Received:2017-05-18 Online:2017-11-10 Published:2017-10-16
Contact: SHAO Xueguang E-mail:xshao@nankai.edu.cn
Supported by:
† Supported by the National Natural Science Foundation of China(No.21475068)

摘要/Abstract

摘要：

针对近红外漫反射光谱(NIRDRS)技术灵敏度低或检出限高的缺点, 采用银镜作为吸附基底以改善其灵敏度. 银镜的强反射能力不仅能够降低光谱的背景干扰, 还能增强光谱的响应信号. 研究了NIRDRS技术结合银镜基质用于快速定量分析血清尿素含量的可行性. 直接采集富集了血清的银镜基质的NIRDRS光谱, 结合光谱预处理和变量选择方法, 采用偏最小二乘回归建立了定量校正模型并进行快速预测. 结果表明, 采用银镜基质结合NIRDRS技术可以准确地测定含量为2.8~26.1 mmol/L的血清尿素, 预测值与参考值的相关系数( $R p 2$ )为0.9823, 样品回收率为86.0%~117.0%, 且预测得到的最大误差值低至1.45 mmol/L.

关键词: 近红外漫反射光谱, 血清尿素, 定量测定, 银镜, 化学计量学

Abstract:

Owing to the low sensitivity or the high detection limit of near-infrared diffuse reflectance spectroscopy(NIRDRS) technique, silver mirror was used as the adsorption substrate to improve the sensitivity. The high reflection ability of silver mirror can not only reduce the background interference, but also enhance the spectral responses. In this study, coupling NIRDRS technique and the silver substrate, the feasibility for rapid and direct analysis of the urea concentration in human serum was studied. Near-infrared diffuse reflectance spectra of silver substrate with sera were directly measured, and then combined with spectral preprocessing and variable selection methods, partial least squares(PLS) regression models were established for fast quantitative prediction. The results demonstrate that the concentrations of serum urea in the range of 2.8—26.1 mmol/L can be accurately determined using NIRDRS technique with the silver mirror as the adsorption substrate. The determination coefficient( $R p 2$ ) between the predicted and reference concentrations is as high as 0.9823, and the recoveries are in a range of 86.0%—117.0%. Moreover, the maximum deviation of the prediction results from the reference values is as low as 1.45 mmol/L. Therefore, the proposed method may be an alternative for routine analysis of serum urea in clinical applications.

Key words: Near-infrared diffuse reflectance spectroscopy, Serum urea, Quantitative determination, Silver mirror, Chemometrics

中图分类号:

O657

TrendMD:

王翠翠, 于晓明, 蔡文生, 邵学广. 银镜增强的近红外漫反射光谱法测定血清尿素. 高等学校化学学报, 2017, 38(11): 1947.

WANG Cuicui, YU Xiaoming, CAI Wensheng, SHAO Xueguang. Determination of Serum Urea by Near-infrared Diffuse Reflectance Spectroscopy Using Silver Mirror for Enhancing the Detectability^†. Chem. J. Chinese Universities, 2017, 38(11): 1947.

图/表 5

Fig.1 NIRDRS spectra of silver mirror and serum samples

Fig.2 CWT-preprocessed spectra of silver mirror and serum samplesThe vertical bars represent the selected variables by MC-UVE method.

Table 1 PLS models with different preprocessing methods

Preprocessing	$n Var a$	$n LV b$	$R c 2$	RMSECV	RPD
None	1556	11	0.9783	0.94	6.8
CWT	1556	8	0.9811	0.96	6.7
CWT + informative range	229	5	0.9843	0.80	8.1
CWT + MC-UVE	129	4	0.9872	0.72	9.0

Table 1 PLS models with different preprocessing methods

Preprocessing	$n Var a$	$n LV b$	$R c 2$	RMSECV	RPD
None	1556	11	0.9783	0.94	6.8
CWT	1556	8	0.9811	0.96	6.7
CWT + informative range	229	5	0.9843	0.80	8.1
CWT + MC-UVE	129	4	0.9872	0.72	9.0

Fig.3 Results of the optimal model(A) Relationship between the predicted concentration and the reference value; (B) distribution of the deviations.

Table 2 Predicted results of validation samples

Sample	Reference value/ (mmol·L^-1)	Predicted value/ (mmol·L^-1)	Maximum deviation/ (mmol·L^-1)	Recovery (%)	Sample	Reference value/ (mmol·L^-1)	Predicted value/ (mmol·L^-1)	Maximum deviation/ (mmol·L^-1)	Recovery (%)
1	2.8	2.98	0.18	106.3	7	9.4	8.72	-0.68	92.8
2	4.2	4.92	0.72	117.0	8	10.4	8.94	-1.45	86.0
3	5.4	5.97	0.57	110.5	9	12.2	11.30	-0.90	92.6
4	6.7	6.60	-0.10	98.5	10	15.3	16.33	1.03	106.7
5	7.3	7.90	0.60	108.2	11	19.2	17.81	-1.39	92.8
6	8.3	8.30	0.00	99.9	12	26.1	27.30	1.20	104.6

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银镜增强的近红外漫反射光谱法测定血清尿素

Determination of Serum Urea by Near-infrared Diffuse Reflectance Spectroscopy Using Silver Mirror for Enhancing the Detectability^†

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银镜增强的近红外漫反射光谱法测定血清尿素

Determination of Serum Urea by Near-infrared Diffuse Reflectance Spectroscopy Using Silver Mirror for Enhancing the Detectability†

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Determination of Serum Urea by Near-infrared Diffuse Reflectance Spectroscopy Using Silver Mirror for Enhancing the Detectability^†