基于近红外光谱技术的牙膏中十二烷基硫酸钠快速定量分析

doi:10.3969/j.issn.2097-2806.2026.06.013

Abstract

Abstract:

A rapid quantitative analysis model for sodium dodecyl sulfate in toothpaste was established by combining near-infrared spectroscopy with a partial least squares regression algorithm, using a second derivative combined with standard normal variate transformation as the preprocessing method. To address the difference in transparency, a reflector was introduced to assist in spectral collection, and independent quantitative models for opaque and translucent toothpaste were constructed respectively. The coefficients of determination （R²） for the two models are 0.989 2 and 0.995 4, respectively, with the root mean square errors of cross-validation （RMSECV） of 0.033 8 and 0.031 9, respectively. The relative standard deviations （RSDs, n=6） are both less than 2%. This method is simple, rapid, accurate, non-destructive, and environmentally friendly, making it suitable for rapid quality monitoring of sodium lauryl sulfate in toothpaste.

Key words: near-infrared spectroscopy, toothpaste, sodium dodecyl sulfate, quantitative analysis

CLC Number:

TQ658

Lei Zhou, Dongxia Cao, Jingjing He, Jinling Chen, Gang Li, Nafeng Su. Rapid quantitative analysis of sodium dodecyl sulfate in toothpaste based on near-infrared spectroscopy[J].China Surfactant Detergent & Cosmetics, 2026, 56(6): 804-810.

Figures/Tables 9

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References 11

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预处理方法	R²	RMSECV	Factors
未预处理	0.369 1	0.226 8	3
SG （7, 3）	0.972 5	0.090 6	4
SNV	0.966 8	0.053 7	6
MSC	0.967 1	0.053 5	6
FD	0.971 0	0.053 3	6
SD	0.988 2	0.036 3	7
SD+SNV	0.989 2	0.033 8	7

预处理方法	R²	RMSECV	Factors
未预处理	0.974 7	0.064 0	5
SG （7, 3）	0.997 7	0.101 2	7
SNV	0.995 5	0.036 5	8
MSC	0.995 0	0.037 1	8
FD	0.993 1	0.037 8	6
SD	0.995 8	0.032 1	6
SD+SNV	0.995 4	0.031 9	5

样品	预测值1/%	预测值2/%	预测值3/%	预测值4/%	预测值5/%	预测值6/%	RSD/%
1	2.108 9	2.176 7	2.207 8	2.169 1	2.206 1	2.169 7	1.51
2	1.942 1	1.933 0	1.973 4	1.994 4	1.965 4	1.936 5	1.13
3	1.959 0	1.993 8	1.980 0	1.957 1	1.991 1	1.969 2	0.73
4	1.914 4	1.945 0	1.876 2	1.932 0	1.923 5	1.918 6	1.11
5	1.902 2	1.909 6	1.940 7	1.928 8	1.928 1	1.901 1	0.78
6	1.989 8	1.918 1	1.940 1	1.950 6	1.919 3	1.928 6	1.27

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Rapid quantitative analysis of sodium dodecyl sulfate in toothpaste based on near-infrared spectroscopy

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