Rapid multi-indicator quality evaluation of Eucommia ulmoides by near-infrared spectroscopy combined with chemometrics

化学计量学 偏最小二乘回归 杜仲 均方误差 决定系数 校准 生物系统 残余物 数学 特征选择 计算机科学 分析化学(期刊) 化学 统计 人工智能 算法 色谱法 机器学习 医学 替代医学 中医药 病理 生物
作者
Yuhui Zheng,Ying Qiao,Yatong Kang,Hong-Hua Cui,Chao Chen
出处
期刊:Infrared Physics & Technology [Elsevier]
卷期号:136: 105051-105051
标识
DOI:10.1016/j.infrared.2023.105051
摘要

Using near-infrared spectroscopy and chemometrics, to establish a method for determination of multiple indicators in Eucommia ulmoides (EU) to achieve its rapid quality evaluation. 83 batches of EU decoction slices were collected, and the content of pinoresinol diglucoside, chlorogenic acid and geniposidic acid in them was determined by high-performance liquid chromatography, the content of total flavonoids was determined by UV–Vis spectrophotometry, while the antioxidant activity of EU was measured by methods of DPPH, ABTS and FRAP, respectively. The near-infrared spectra of EU were acquired in diffuse reflectance mode, which were subjected to multivariate statistical analysis in relation with the above measured values. In order to achieve good model performance, various methods for spectra pretreatment and wavelength selection were explored. Especially, with the help of four wavelength selection methods based on swarm intelligence optimization, such as genetic algorithm (GA), gray wolf algorithm (GWO), improved global flower pollination algorithm (mgFPA), and improved sine and cosine optimization algorithm (ISCA), the partial least squares regression models were improved prominently. The model quality was evaluated by calculating the coefficient of determination (R2), root mean square error (RMSE) and residual prediction deviation (RPD) in the sets of calibration and prediction. Regardless of which indicator in EU, the model performance was fairly good, especially after the wavelength selection by GA and other three methods, where R2 > 0.9, RPD > 3 in both calibration and prediction, indicating that the models had good prediction accuracy. Based on the overall algorithmic efficiency and model results, we have the following ranking: GA > GWO > mgFPA > ISCA. The present models provide a novel method for rapid and comprehensive quality evaluation of EU, which may be of great significance for quality evaluation and quality control of EU.

科研通智能强力驱动
Strongly Powered by AbleSci AI
更新
大幅提高文件上传限制,最高150M (2024-4-1)

科研通是完全免费的文献互助平台,具备全网最快的应助速度,最高的求助完成率。 对每一个文献求助,科研通都将尽心尽力,给求助人一个满意的交代。
实时播报
wure10完成签到 ,获得积分10
2秒前
2秒前
YYYY完成签到,获得积分10
3秒前
3秒前
3秒前
可爱的函函应助医路有你采纳,获得10
3秒前
4秒前
HEIKU应助岁岁安采纳,获得10
4秒前
打打应助小毕可乐采纳,获得10
6秒前
SONG发布了新的文献求助10
8秒前
毛毛发布了新的文献求助10
8秒前
俏皮诺言发布了新的文献求助10
8秒前
思源应助Windycityguy采纳,获得10
8秒前
英俊的铭应助钮卿采纳,获得10
8秒前
9秒前
10秒前
12秒前
An完成签到,获得积分10
12秒前
猫大熊完成签到,获得积分10
13秒前
13秒前
王先生发布了新的文献求助10
14秒前
16秒前
深情安青应助YY采纳,获得10
16秒前
Joeswith发布了新的文献求助10
16秒前
务实的焦发布了新的文献求助10
17秒前
17秒前
云中歌完成签到,获得积分10
17秒前
htp完成签到,获得积分10
18秒前
医路有你发布了新的文献求助10
20秒前
20秒前
天天快乐应助多多洛采纳,获得10
20秒前
九个烧卖发布了新的文献求助30
20秒前
21秒前
懵懂的土豆完成签到,获得积分10
22秒前
小毕可乐发布了新的文献求助10
23秒前
23秒前
曾经的曼巴完成签到,获得积分10
23秒前
JamesPei应助知愈采纳,获得10
24秒前
24秒前
闫伯涵发布了新的文献求助10
24秒前
高分求助中
Evolution 10000
ISSN 2159-8274 EISSN 2159-8290 1000
Becoming: An Introduction to Jung's Concept of Individuation 600
Ore genesis in the Zambian Copperbelt with particular reference to the northern sector of the Chambishi basin 500
A new species of Coccus (Homoptera: Coccoidea) from Malawi 500
A new species of Velataspis (Hemiptera Coccoidea Diaspididae) from tea in Assam 500
PraxisRatgeber: Mantiden: Faszinierende Lauerjäger 500
热门求助领域 (近24小时)
化学 医学 生物 材料科学 工程类 有机化学 生物化学 物理 内科学 纳米技术 计算机科学 化学工程 复合材料 基因 遗传学 催化作用 物理化学 免疫学 量子力学 细胞生物学
热门帖子
关注 科研通微信公众号,转发送积分 3161364
求助须知:如何正确求助?哪些是违规求助? 2812813
关于积分的说明 7896925
捐赠科研通 2471712
什么是DOI,文献DOI怎么找? 1316085
科研通“疑难数据库(出版商)”最低求助积分说明 631156
版权声明 602112