近红外光谱技术定量分析连作滁菊土壤中的阿魏酸含量

Quantitative Determination of Ferulic Acid Content in Chrysanthemum Morifolium cv.( Chuju) Continuous Cropping Soil Using Near Infrared Spectroscopy

应用近红外光谱(NIRS)技术定量分析连作滁菊土壤样品中阿魏酸的含量。通过标准杠杆值、学生残差和马氏距离判断异常光谱,经二阶导数和Norris平滑滤噪预处理后,在6000~4000 cm^(-1)范围,最佳因子数为7,采用偏最小二乘法(PLS)构建数学模型。结果表明,模型校正集和验证集与高效液相色谱仪(HPLC)测定的参考值之间均呈现良好相关关系,校正相关系数R_c为0.9914,交叉验证相关系数R_(cv)为0.9935,校正集误差均方根(RMSEC)为0.484,预测误差均方根(RMSEP)为0.539,交叉验证误差均方根(RMSECV)为0.615。研究结果表明,NIRS分析技术能够实现连作土壤中阿魏酸的快速检测,结果准确可靠。

A near infrared spectroscopy （NIRS） method was used for rapid quality evaluation of ferulic acid content in chrysanthemum morifolium cv. （Chuju） continuous cropping soil. Standard leverage, studentized residual and Mahalanobis distance were calculated to eliminate abnormal samples. After the initial near infrared spectrum was treated by two second derivative and Norris smoothing filter noise, 6000-4000 cm-1 wave number range and 7 factors were chosen for partial least squares （PLS） calibration model. The results showed that good correlation was presented between the calibration set/validation set and the values determined by high performance liquid chromatography, and the calibration correlation coefficient （Rc） and validation correlation coefficient （Roy） were 0. 9914 and 0. 9935, respectively. Root mean square error of calibration （RMSEC） , root mean square error of validation （RMSEP） and root mean square error of cross-validation （RMSECV） were 0. 484, 0.539 and 0. 615, respectively. This method was accurate, reliable, simple, rapid and nondestructive, and could be applied to the fast analysis for ferulic acid in continuous cropping soil.