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目的:探讨当归产地土壤中的矿质元素与当归NIR指纹图谱光谱特征的相关性。方法:通过载有积分球漫反射装置的近红外光谱仪测定12个产地共130批当归药材的近红外光谱,以原子吸收光谱或电感耦合等离子体质谱法测定相应的产地土壤中15种矿质元素的质量分数,采用灰色关联度分析及多元非线性回归进行分析。结果:影响当归NIR指纹图谱7 249 cm~(- 1)处最大吸光度的主要土壤矿质元素及其贡献为Cu>Pb;影响6 996 cm~(- 1)处的主要为Cr>Fe>Zn>Cd>Ca,且Cr与Cd存在正交互作用,Fe与Ca存在负交互作用;影响5 900 cm~(- 1)处的主要为Cu;影响5 000 cm~(- 1)处的主要为K>Ca>Zn;影响4 762 cm~(- 1)处的主要为K>Sb;影响4 651 cm~(- 1)处的主要为Ca>K>As>Cr,且Ca与K存在正交互作用,As的平方与Cr存在正交互作用或负交互作用;影响4 545 cm~(- 1)处的主要为Ni>Cu>As;影响4 347 cm~(- 1)处的主要为Cd>Ca>As>Fe>K>Sb,且Cd与K、As与Fe均存在正交互作用。结论:土壤中多种矿质元素与当归NIR指纹图谱的关联表现出多重性及交互性。
Objective: To investigate the correlation between the mineral elements in Angelica sinensis soil and the spectral characteristics of Angelica NIR fingerprints. Methods: Near-infrared spectra of 130 Chinese angelica herbs from 12 producing areas were measured by near-infrared spectrometer with diffuse reflectance integrating sphere. The contents of 15 mineral elements in the corresponding producing soils were determined by atomic absorption spectrometry or inductively coupled plasma mass spectrometry Mass fraction, using gray correlation analysis and multivariate nonlinear regression analysis. Results: The main soil mineral elements affecting the maximum absorbance at 7249 cm -1 in the NIR fingerprints of Angelica sinensis and its contribution were Cu> Pb. The main influencing factors at 6 996 cm -1 were Cr> Fe> Zn> Cd> Ca, and there is an orthogonal interaction between Cr and Cd, and there is a negative interaction between Fe and Ca. Cu mainly affecting Cu at 5 900 cm ~ (-1) and Cu mainly affecting K at 5000 cm ~ (-1) > Ca> Zn. The main effect is K> Sb at 4 762 cm ~ (-1), Ca> K> As> Cr at 4 651 cm ~ (-1) and Ca As, the square of As has an orthogonal or negative interaction with Cr; the main one is Ni> Cu> As at 4 545 cm ~ (-1); the main one at 4 347 cm ~ (-1) is Cd> Ca> As> Fe> K> Sb, and there exists an orthogonal interaction between Cd and K, As and Fe. CONCLUSION: The correlation between mineral elements in soil and NIR fingerprints of Angelica sinensis shows multiplicity and interactivity.