基于HPLC-DAD三维色谱指纹图谱的国产赤霞珠红葡萄酒产地识别研究
Geographical origin identification of Chinese Cabernet Sauvignon red wines based on HPLC-DAD three-dimensional chromatographic fingerprinting
-
摘要: 【目的】 丰富与发展葡萄酒真实性鉴别及产地溯源技术。【方法】 采用高效液相色谱-光电二极管阵列检测(HPLC-DAD)法采集我国秦皇岛、银川和吐鲁番3个著名产地共45个赤霞珠红葡萄酒的三维色谱指纹图谱,并借助化学计量学多元曲线分辨-交替最小二乘(MCR-ALS)算法解析上述图谱数据,基于所得有效组分的相对浓度,利用主成分分析(PCA)、偏最小二乘-判别分析(PLS-DA)和支持向量机(SVM)3种机器学习算法对红葡萄酒样品进行产地区分。【结果】 通过MCR-ALS解析算法共获得56个有效组分,PCA得分显示各产地赤霞珠红葡萄酒有依照产地分类的趋势,且PLS-DA和SVM模型的分类效果均良好,训练集和预测集识别准确率都可达100%。此外,基于22个差异变量建立的VIP-PLS-DA模型同样可对葡萄酒产地进行100%的准确判别。【结论】 HPLC-DAD三维色谱指纹图谱技术结合机器学习算法能建立稳定可靠的识别模型,实现3个国产赤霞珠红葡萄酒产地客观、准确的鉴别。Abstract: 【Objective】 This study aimed to advance the authenticity identification and origin traceability techniques of wines. 【Methods】 The three-dimensional chromatographic fingerprints of 45 Cabernet Sauvignon red wines from three famous producing regions in China (Qinhuangdao, Yinchuan, and Turpan) were acquired using high-performance liquid chromatography with diode array detection (HPLC-DAD). The data were then resolved by multivariate curve resolution-alternating least squares (MCR-ALS). Based on the relative concentrations of the resolved components, three machine learning algorithms—principal component analysis (PCA), partial least squares-discriminant analysis (PLS-DA), and support vector machine (SVM)—were applied to discriminate the geographical origins of the red wines. 【Results】 A total of 56 resolved components were obtained by MCR-ALS analysis of the three-dimensional chromatographic fingerprints. PCA score plots showed a tendency of the wines to cluster according to their geographical origins. Both PLS-DA and SVM models achieved good classification performance, with 100% recognition accuracy for both the training and prediction sets. Furthermore, a VIP-PLS-DA model based on 22 differential variables enabled accurate discrimination of the geographical origins of the wines with 100%. 【Conclusion】 The HPLC-DAD three-dimensional chromatographic fingerprinting technique combined with machine learning algorithms can establish a stable and reliable recognition model, and is expected to provide objective and accurate identification of three geographical origins of Chinese Cabernet Sauvignon red wines.
-
-
[1]
The International Vine and Wine Organisati on (OIV).State of the world vine and wine sectorin 2024:Adaptation & cooperation[R/OL].(2025-04-15)[2025-04-30].https://www.oiv.int/index.php/press/state-world-vine-and-wine-sector-2024-adaptation-cooperation.
-
[2]
谢喜麟.中国葡萄酒产区分布及气候变化对其影响分析(以东北产区为例)[D].杨凌:西北农林科技大学,2018. XIE X L.Study on status of wine regions in China and impact of climate change on it (take north east for example)[D].Yangling:Northwest A&F University,2018.
-
[3]
WHITE R E.The value of soil knowledge in understanding wine terroir[J].Frontiers in Environmental Science,2020,8:12.
-
[4]
冯淑敏.高效液相色谱在食品检测中的应用探究[J].食品安全导刊,2023(6):163-165. FENG S M.Research on the practice of high performance liquid chromatography in food detection[J].China Food Safety Magazine,2023
(6):163-165. -
[5]
PENG T Q,YIN X L,GU H W,et al.HPLC-DAD fingerprints combined with chemometric techniques for the authentication of plucking seasons of Laoshan green tea[J].Food Chemistry,2021,347:128959.
-
[6]
GU H W,YIN X L,PENG T Q,et al.Geographical origin identification and chemical markers screening of Chinese green tea using two-dimensional fingerprints technique coupled with multivariate chemometric methods[J].Food Control,2022,135:108795.
-
[7]
彭天琴.基于三维色谱指纹图谱的绿茶质量等级评定新方法研究[D].荆州:长江大学,2021. PENG T Q.Development of a new method for evaluating quality grade of tea based on three-way chromatographic fingerprints [D].Jingzhou:Yangtze University,2021.
-
[8]
DONG Z Y,XU J L.Baseline estimation using optimized asymmetric least squares (O-ALS)[J].Measurement,2024,233:114731.
-
[9]
JAUMOT J,DEJUAN A N,TAULER R.MCR-ALS GUI 2.0:New features and applications[J].Chemometrics and Intelligent Laboratory Systems,2015,140:1-12.
-
[10]
ANZARDI M B,ARANCIBIA J A,OLIVIERI A C.Processing multi-way chromatographic data for analytical calibration,classification and discrimination:A successful marriage between separation science and chemometrics[J].TrAC Trends in Analytical Chemistry,2021,134:116128.
-
[11]
CHANG C C,LIN C J.LIBSVM:A library for support vector machines[J].ACM transactions on intelligent systems and technology (TIST),2011,2(3):1-27.
-
[12]
BOS T S,KNOL W C,MOLENAAR S R A,et al.Recent applications of chemometrics in one-and two-dimensional chromatography[J].Journal of Separation Science,2020,43(9/10):1678-1727.
-
[13]
NIEZEN L E,SCHOENMAKERS P J,PIROK B W J.Critical comparison of background correction algorithms used in chromatography[J].Analytica Chimica Acta,2022,1201:339605.
-
[14]
ZHANG X,ZHANG Z Y,TAULER R.Evaluation of the extension of rotation ambiguity associated to multivariate curve resolution solutions by the application of the MCR-BANDS method[J].Talanta,2019,202:554-564.
-
[15]
WANG Y,GU H W,YIN X L,et al.Deep learning in food safety and authenticity detection:An integrative review and future prospects[J].Trends in Food Science & Technology,2024,146:104396.
-
[16]
JIMÉNEZ-CARVELO A M,MARTÍN-TORRES S,ORTEGA-GAVILÁN F,et al.PLS-DA vs sparse PLS-DA in food traceability.A case study:Authentication of avocado samples[J].Talanta,2021,224:121904.
-
[17]
LI S C,YU X W,ZHEN Z P,et al.Geographical origin traceability and identification of refined sugar using UPLC-QTof-MS analysis[J].Food Chemistry,2021,348:128701.
-
[18]
GU H W,ZHOU H H,LV(LYU) Y,et al.Geographical origin identification of Chinese red wines using ultraviolet-visible spectroscopy coupled with machine learning techniques[J].Journal of Food Composition and Analysis,2023,119:105265.
-
[19]
PAN Y,GU H W,LV(LYU) Y,et al.Untargeted metabolomic analysis of Chinese red wines for geographical origin traceability by UPLC-QTOF-MS coupled with chemometrics[J].Food Chemistry,2022,394:133473.
-
[20]
YIN X L,PENG Z X,PAN Y,et al.UHPLC-QTOF-MS-based untargeted metabolomic authentication of Chinese red wines according to their grape varieties [J].Food Research International,2024,178:113923.
-
[1]
-
点击查看大图
计量
- PDF下载量: 3
- 文章访问数: 414
- 引证文献数: 0
下载:
