The rapid determination of polysaccharides in oral liquid based on near infrared reflectance spectroscopy technique
-
摘要: 本文建立了一种基于近红外光谱技术快速测定中药提取物中多糖的方法。通过采集102组中药提取物口服液样品的近红外光谱,结合多糖化学检测结果应用偏最小二乘法,通过考察不同光谱预处理方法,包括一阶导数移动窗口宽度、平滑处理移动窗口宽度、波段选择、变量选择方法对模型预测能力的影响,建立并优化得到近红外光谱技术快速测定口服液中多糖的最佳模型。此模型光谱预处理方法为一阶导数结合平滑,一阶导数移动窗口宽度为5,平滑处理移动窗口宽度为9,所选波段为5079.585152.86、6159.526232.80、6545.216695.63、7470.887544.16以及8705.098778.38 cm-1,共120个变量,模型的交叉验证均方根误差为15.4823,预测均方根误差为16.2807。研究结果表明,通过近红外光谱技术结合化学计量学方法建立口服液中多糖快速测定方法具有一定可行性。Abstract: Near infrared reflectance spectroscopy technique was employed to measure the polysaccharides of Chinese herb extracts rapidly.The experiment had measured the content of polysaccharides in the 102 groups of the oral liquid of Chinese herb extracts, adopts the partial least squares method combined with the polysaccharides chemical reference values, and establishes the optimal model of measuring the polysaccharides of the oral liquid by the near infrared reflectance spectroscopy technique, which was obtained by comparing method and derivative of different preprocessing and the size, waveband and variable selection way of the smooth window on the predictive ability of the above model: the pre-processing method of spectrum wasthe combination of the first derivative and smooth process, and their moving window widths were 5 and 9respectively.The chosen wavebands contained 5079.58 ~ 5152.86, 6159.52 ~ 6232.80, 6545.21 ~ 6695.63, 7470.88 ~ 7544.16 and8705.09 8778.38 cm-1 in the sum of 120 variables.The root-mean-square error of the model cross validation was 15.4823, and the root-mean-square error of the model prediction was 16.2807.The results showed that the method for rapidly measuring the polysaccharides in oral liquid based on the combination of the near infrared reflectance spectroscopy technique and chemometrics method was of certain feasibility.
-
Keywords:
- NIR /
- pretreatment /
- moving window /
- feature bands selection /
- variable selection
-
[1] 褚小立, 袁洪福, 陆婉珍.近年来我国近红外光谱分析技术的研究与发展[J].分析仪器, 2006 (2) :1-10. [2] 邓亮, 冷红琼, 段沅杏, 等.FT-NIR光谱测定烟草中烟碱、总氮、总糖含量的模型研究[J].云南农业大学学报, 2013, 28 (6) :814-818. [3] 王加华, 王军, 王一方, 等.基于近红外光谱技术的腐竹脂肪定量分析[J].食品科学, 2014, 35 (18) :136-140. [4] 李连.硫酸软骨素关键质量环节近红外光谱分析技术的应用研究[D].济南:山东大学, 2012:1-92. [5] 黄艳萍, 袁萍, 黄勇红.减肥保健品中西布曲明的近红外光谱法快速测定[J].海峡医学, 2015, 27 (11) :42-44. [6] 王远, 秦民坚, 戚近, 等.近红外漫反射光谱法测定麦冬的多糖含量[J].光谱学与光谱分析, 2009, 29 (10) :2677-2680. [7] Geladi P, Mac Dougall D, Martens H.Linearization and scatter-correction for near-infrared Reflectance spectra of meat[J].Applied Spectroscopy:1985, 39:491-500.
[8] RJ Barnes, MS Dhanoa, SJ Lister.Standard normal variate transformation and de-trending of near-infrared diffuse reflectance spectra[J].Applied Spectroscopy, 1989, 43 (5) :772-777.
[9] 许良, 闫亮亮, 塞击拉呼, 等.近红外光谱结合可移动窗口偏最小二乘法对克霉唑粉末药品的定量分析[J].计算机与应用化学, 2016, 33 (4) :415-418. [10] 侯培国, 李宁, 常江, 等.SG平滑和IBPLS联合优化水中油分析方法的研究[J].光谱学与光谱分析, 2015, 35 (6) :1529-1533. [11] A Oussama, F Elabadi, S Platikanov, et al.Detection of olive oil adulterationusing FT-IR spectroscopy and PLS with variable importance of projection (VIP) scores[J].Journal of the American Oil Chemists’Society, 2012, 89 (10) :1807-1812.
[12] B Lu, I Castillo, L Chiang, et al.Industrial PLS model variable selection using moving window variable importance in projection[J].Chemometrics and Intelligent Laboratory Systems, 2014, 135 (15) :90-109.
[13] W Cai, Y Li, X Shao.A variable Selection method based on uninformative variable elimination for multivariate calibration of near-infrared spectra[J].Chemometrics and Intelligent Laboratory Systems, 2008, 90 (2) :188-194.
[14] H Y Ding, Y Jin, XS Liu, et al.On-line Monitoring of Traditional Chinese Medicinal Powder Blending Process by Using Near-Infrared Spectroscopy[J].Chinese Pharmaceutical Journal, 2013, 48 (14) :1151-1156.
[15] 曹楠宁, 王加华, 李鹏飞, 等.基于GA和SCMWPLS算法的NIR光谱信息变量提取研究[J].光谱学与光谱分析, 2010, 30 (4) :915-919. [16] 王加华, 潘璐, 孙谦, 等.遗传算法结合偏最小二乘法无损评价西洋梨糖度[J].光谱学与光谱分析, 2009, 29 (3) :678-681. [17] HD Li, QS Xu, YZ Liang.Random frog:an efficient reversible jump Markov chain Monte Carlo-like approach for variable selection with applications to gene selection and disease classification[J].Analyticachimica Acta, 2012, 740:20-26.
[18] 周昭露, 李杰, 黄生权, 等.近红外光谱技术在中药质量控制应用中的化学计量学建模:综述和展望[J].化工进展, 2016, 35 (6) :1627-1645. [19] 后其军, 鞠兴荣, 袁建, 等.不同产地稻谷近红外技术建模效果的比较[J].食品工业科技, 2016, 37 (8) :125-134. -
期刊类型引用(10)
1. 靳羽慧,刘晓媛,李飞,肖会双,李建芳. 酒酿绿茶馒头的护色剂筛选及配方优化. 食品科技. 2025(01): 172-178 . 百度学术
2. 高林林,骆勇,陈紫麟,魏永真,王周利,赵子丹. 响应面法优化榆黄菇/秀珍菇面包配方及品质分析. 山西农业大学学报(自然科学版). 2024(03): 89-98 . 百度学术
3. 董梦飞,郭兴凤,朱婷伟,赵树超. 不同种类大豆蛋白对冷冻发酵面团馒头品质的影响机制. 中国油脂. 2023(12): 58-64 . 百度学术
4. 黄璟,梁丽婷,OMEDI Jacob Ojobi,陈诚,郭睿珺,黄卫宁,曾永青,李宁,高铁成,周立源. 戊糖片球菌发酵猕猴桃对面包香气与烘焙特性的影响. 食品与机械. 2022(01): 3-14 . 百度学术
5. 朱雯,梁建芬. 猴头菇粉在面包中的应用研究. 食品科技. 2022(08): 110-116 . 百度学术
6. 罗昆,曹伟超,马子琳,武盟,Omedi Jacob OJOBI,郑建仙,黄卫宁,李宁,Filip ARNAUT. 高产植酸酶乳酸菌发酵对黑豆面包蛋白质品质及烘焙特性的影响. 食品科学. 2021(06): 111-117 . 百度学术
7. 孙玉清,田文静,刘小飞. 天然酸面团发酵剂对面包品质的影响. 食品工业. 2021(06): 97-101 . 百度学术
8. 许可,王宏伟,苏东民,谢晓筱,王雅茹,唐洒洒,张艳艳,刘兴丽,张华. 发酵时间对面团加工特性及馕饼品质的影响. 中国粮油学报. 2021(10): 8-15 . 百度学术
9. 王婷,余浩闻,王晓闻,陈振家. 酒酿发酵面包的研究. 食品科技. 2020(08): 162-168 . 百度学术
10. 徐伟,马婷婷,李佳美,马智宇,柴丽娜. 发酵时间对俄式面包面团有机酸形成及其酸感的影响. 食品工业科技. 2019(22): 82-86+92 . 本站查看
其他类型引用(10)
计量
- 文章访问数: 172
- HTML全文浏览量: 27
- PDF下载量: 143
- 被引次数: 20