中文摘要：

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。

英文摘要：

Objective ：To investigate the correlation between soil mineral elements and NIR fingerprint of Angelica sinensis. Meth- ods ：The fingerprint of 130 batches of Angelica sinensis from 12 production regions were determined by near infrared spectra with integra- ting sphere and diffuse device of near infrared spectrometer. The determination of 15 kinds of mineral elements in the corresponding ori- gin of soil mass fraction were determined by atomic absorption spectrometry or inductively coupled plasma mass spectrometry, grey corre- lation analysis and muhivariate nonlinear regression method were used to analyze. Results ：The soil mineral elements and their contribu- tion were Cu 〉 Pb, which were the main influencing factors of Angelica sinensis NIR fingerprint maximum absorbance on peak 7 249 cm - 1 ; the contribution of mineral elements in soil were Cr 〉 Fe 〉 Zn 〉 Cd 〉 Ca on peak 6 996 cm - 1, there were positive correlation between Cr and Cd,and negative correlation between Fe and Ca;on peak 5 900 cm-1 were Cu;on peak 5 000 cm-1 were K 〉 Ca 〉Zn;on peak 4 762 cm-1 were K 〉 Sb;on peak 4 651 cm-1 were Ca 〉 K 〉 As 〉 Cr, there were positive correlation between Ca and K, and the positive correlation or negative correlation between the square of As and Cr;the contribution of mineral elements in soil on peak 4 545 cm-1 were Ni 〉 Cu 〉 As ; on peak 4 347 cm - 1 were Cd 〉 Ca 〉 As 〉 Fe 〉 K 〉 Sb, and there were positive correlation among Cd, K, As and Fe. Conclusion：Angelica sinensis NIR fingerprint spectrum characteristics associate with a variety of soil mineral elements, which show the multiplicity and interactivity.