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应用近红外光谱结合偏最小二乘法作为一种快速、无损的替代方法,定量测定乳香中的 KBA。

Application of NIRS coupled with PLS regression as a rapid, non-destructive alternative method for quantification of KBA in Boswellia sacra.

机构信息

UoN Chair of Oman Medicinal Plants and Marine Products, University of Nizwa, Sultanate of Oman.

Department of Biological Sciences & Chemistry, College of Arts and Sciences, University of Nizwa, Sultanate of Oman.

出版信息

Spectrochim Acta A Mol Biomol Spectrosc. 2017 Sep 5;184:277-285. doi: 10.1016/j.saa.2017.05.018. Epub 2017 May 10.

Abstract

In the present study, for the first time, NIR spectroscopy coupled with PLS regression as a rapid and alternative method was developed to quantify the amount of Keto-β-Boswellic Acid (KBA) in different plant parts of Boswellia sacra and the resin exudates of the trunk. NIR spectroscopy was used for the measurement of KBA standards and B. sacra samples in absorption mode in the wavelength range from 700-2500nm. PLS regression model was built from the obtained spectral data using 70% of KBA standards (training set) in the range from 0.1ppm to 100ppm. The PLS regression model obtained was having R-square value of 98% with 0.99 corelationship value and having good prediction with RMSEP value 3.2 and correlation of 0.99. It was then used to quantify the amount of KBA in the samples of B. sacra. The results indicated that the MeOH extract of resin has the highest concentration of KBA (0.6%) followed by essential oil (0.1%). However, no KBA was found in the aqueous extract. The MeOH extract of the resin was subjected to column chromatography to get various sub-fractions at different polarity of organic solvents. The sub-fraction at 4% MeOH/CHCl (4.1% of KBA) was found to contain the highest percentage of KBA followed by another sub-fraction at 2% MeOH/CHCl (2.2% of KBA). The present results also indicated that KBA is only present in the gum-resin of the trunk and not in all parts of the plant. These results were further confirmed through HPLC analysis and therefore it is concluded that NIRS coupled with PLS regression is a rapid and alternate method for quantification of KBA in Boswellia sacra. It is non-destructive, rapid, sensitive and uses simple methods of sample preparation.

摘要

在本研究中,首次开发了近红外光谱(NIR)结合偏最小二乘回归(PLS)作为一种快速替代方法,用于定量测定乳香树不同部位和树干树脂渗出物中酮基-β-乳香酸(KBA)的含量。NIR 光谱用于在 700-2500nm 波长范围内以吸收模式测量 KBA 标准品和乳香树样品。使用来自 0.1ppm 至 100ppm 范围内的 70%的 KBA 标准品(训练集),从获得的光谱数据中建立 PLS 回归模型。获得的 PLS 回归模型的 R-square 值为 98%,相关系数值为 0.99,具有良好的预测能力,RMSEP 值为 3.2,相关系数为 0.99。然后,它被用于定量测定乳香树样品中 KBA 的含量。结果表明,树脂的甲醇提取物中 KBA 的浓度最高(0.6%),其次是精油(0.1%)。然而,在水提取物中未发现 KBA。对树脂的甲醇提取物进行柱层析,以不同极性的有机溶剂得到不同的亚馏分。在 4%甲醇/氯仿(4.1%的 KBA)的亚馏分中发现含有最高百分比的 KBA,其次是另一个在 2%甲醇/氯仿(2.2%的 KBA)的亚馏分。本研究结果还表明,KBA 仅存在于树干的胶树脂中,而不是植物的所有部位。通过 HPLC 分析进一步证实了这些结果,因此可以得出结论,NIR 结合 PLS 回归是一种快速替代方法,用于定量测定乳香树中的 KBA。它是非破坏性的、快速的、敏感的,并且使用简单的样品制备方法。

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