Rapid determination of total phenolic content and antioxidant capacity of maple syrup using Raman spectroscopy and deep learning.

IF 8.5 1区 农林科学 Q1 CHEMISTRY, APPLIED Food Chemistry Pub Date : 2025-01-15 Epub Date: 2024-09-16 DOI:10.1016/j.foodchem.2024.141289
Li Xiao, Jinxin Liu, Marti Z Hua, Xiaonan Lu
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Abstract

Total phenolic content (TPC) and antioxidant capacity of maple syrup were determined using Raman spectroscopy and deep learning. TPC was determined by Folin-Ciocalteu assay, while the antioxidant capacity was measured by 2,2-diphenyl-1picrylhydrazyl (DPPH) assay, oxygen radical absorbance capacity (ORAC) assay, and ferric reducing antioxidant power (FRAP) assay. A total of 360 spectra were collected from 36 maple syrup samples of different colours (dark, amber, light) by both benchtop and portable Raman spectrometers. These spectra were used to establish predictive models for assessing the antioxidant profiles of maple syrup. Deep learning models developed along with portable Raman spectroscopy exhibited comparable predictive performance to those developed along with benchtop Raman spectroscopy. Base on the spectral dataset collected using portable Raman spectroscopy, the developed deep learning models exhibited low RMSEs (root mean square errors, 7.2-17.9 % of mean reference values), low MAEs (mean absolute errors, 5.2-13.1 % of mean reference values) and high R2 values (>0.88). The results showed a great goodness of fit and accuracy for predicting the antioxidant profiles of maple syrup, indicating the potential of using portable Raman spectrometer for on-site analysis of antioxidant profiles of maple syrup.

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利用拉曼光谱和深度学习快速测定枫糖浆的总酚含量和抗氧化能力
利用拉曼光谱和深度学习技术测定了枫糖浆的总酚含量(TPC)和抗氧化能力。总酚含量通过 Folin-Ciocalteu 法测定,而抗氧化能力则通过 2,2-二苯基-1-巯基肼(DPPH)法、氧自由基吸收能力(ORAC)法和铁还原抗氧化能力(FRAP)法测定。使用台式和便携式拉曼光谱仪从 36 种不同颜色(深色、琥珀色和浅色)的枫糖浆样品中共收集到 360 个光谱。这些光谱被用于建立评估枫糖浆抗氧化特性的预测模型。利用便携式拉曼光谱建立的深度学习模型与利用台式拉曼光谱建立的模型具有相当的预测性能。根据使用便携式拉曼光谱收集的光谱数据集,所开发的深度学习模型表现出较低的 RMSE(均方根误差,平均参考值的 7.2-17.9%)、较低的 MAE(平均绝对误差,平均参考值的 5.2-13.1%)和较高的 R2 值(大于 0.88)。结果表明,该方法在预测枫糖浆抗氧化剂含量方面具有很高的拟合度和准确度,表明使用便携式拉曼光谱仪现场分析枫糖浆抗氧化剂含量具有很大的潜力。
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来源期刊
Food Chemistry
Food Chemistry 工程技术-食品科技
CiteScore
16.30
自引率
10.20%
发文量
3130
审稿时长
122 days
期刊介绍: Food Chemistry publishes original research papers dealing with the advancement of the chemistry and biochemistry of foods or the analytical methods/ approach used. All papers should focus on the novelty of the research carried out.
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