Origin identification

原点识别
  • 文章类型: Journal Article
    在这项研究中,提出了一种简单而准确的方法,用于使用创新的拉曼光谱预处理技术的组合来增强树莓样品的来源识别,特征选择,和机器学习算法。创造性地引入窗函数,并结合基线去除技术对拉曼光谱数据进行预处理,降低原始数据的维度,保证处理后数据的质量。进行了优化过程以确定窗口函数的最佳参数,导致5的分级窗口宽度,产生最高的精度。在应用了三种特征选择技术之后,结果发现,信息增益模型在提取判别光谱特征方面具有最佳性能。最后,采用了十种不同的机器学习算法来构建预测模型,并选择了最优模型。线性支持向量分类器(LinearSVC),多层感知器分类器(MLPClassifier),和线性判别分析(LDA)实现精度,精度,召回,和F1值高于0.96,而随机向量功能链路网络分类器(RVFLClassifier)超过这些性能度量的0.93。这些结果证明了所提出的方法在识别覆盆子样品的起源具有高准确性和鲁棒性的有效性。为农产品认证和质量控制提供了有价值的工具。
    In this study, a simple and accurate approach is proposed for enhancing the origin identification of raspberry samples using a combination of innovative Raman spectral preprocessing techniques, feature selection, and machine learning algorithms. Window function was creatively introduced and combined with baseline removal technique to preprocess the Raman spectral data, reducing the dimensionality of the raw data and ensuring the quality of the processed data. An optimization process was conducted to determine the optimal parameter for the window function, resulting in a binning window width of 5 that yielded the highest accuracy. After applying three feature selection techniques, it was found that the information gain model had the best performance in extracting discriminative spectral features. Finally, ten different machine learning algorithms were employed to construct predictive models, and the optimal models were selected. Linear Support Vector Classifier (LinearSVC), Multi-Layer Perceptron Classifier (MLPClassifier), and Linear Discriminant Analysis (LDA) achieve accuracy, precision, recall, and F1 values above 0.96, while the Random Vector Functional Link Network Classifier (RVFLClassifier) surpasses 0.93 for these performance metrics. These results demonstrate the effectiveness of the proposed approach in identifying the origin of raspberry samples with high accuracy and robustness, providing a valuable tool for agricultural product authentication and quality control.
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  • 文章类型: Journal Article
    农产品的来源对其质量和安全至关重要。本研究利用荧光检测技术探讨了不同产地水稻化学成分和结构的差异。这些差异主要受气候的影响,环境,地质和其他因素。通过鉴定同一品种不同产地的水稻种子的荧光特征吸收峰,并将它们与已知或标准样品进行比较,这项研究旨在鉴定水稻,保护品牌,并实现可追溯性。本研究选取同一年种植于吉林省不同地区的同一品种水稻种子作为样品。荧光光谱法用于收集光谱数据,通过归一化预处理,平滑,和小波变换来去除噪声,散射,和毛刺。经处理的光谱数据用作长短期记忆(LSTM)模型的输入。该研究集中在基于NZ-WT处理的数据的水稻光谱的处理和分析。为了简化模型,无信息变量消除(UVE)和连续投影算法(SPA)用于筛选最佳波长。这些波长被用作支持向量机(SVM)预测模型的输入以实现有效和准确的预测。在475-525nm和665-690nm的荧光光谱范围内,烟酰胺腺嘌呤二核苷酸(NADPH)的吸收峰,核黄素(B2),淀粉,并观察到蛋白质。使用SVM建立的原点追踪预测模型表现出稳定的性能,分类准确率高达99.5%。实验表明,荧光光谱技术在大米产地溯源中具有较高的鉴别精度,为水稻产地的快速鉴定提供了一种新的方法。
    The origin of agricultural products is crucial to their quality and safety. This study explored the differences in chemical composition and structure of rice from different origins using fluorescence detection technology. These differences are mainly affected by climate, environment, geology and other factors. By identifying the fluorescence characteristic absorption peaks of the same rice seed varieties from different origins, and comparing them with known or standard samples, this study aims to authenticate rice, protect brands, and achieve traceability. The study selected the same variety of rice seed planted in different regions of Jilin Province in the same year as samples. Fluorescence spectroscopy was used to collect spectral data, which was preprocessed by normalization, smoothing, and wavelet transformation to remove noise, scattering, and burrs. The processed spectral data was used as input for the long short-term memory (LSTM) model. The study focused on the processing and analysis of rice spectra based on NZ-WT-processed data. To simplify the model, uninformative variable elimination (UVE) and successive projections algorithm (SPA) were used to screen the best wavelengths. These wavelengths were used as input for the support vector machine (SVM) prediction model to achieve efficient and accurate predictions. Within the fluorescence spectral range of 475-525 nm and 665-690 nm, absorption peaks of nicotinamide adenine dinucleotide (NADPH), riboflavin (B2), starch, and protein were observed. The origin tracing prediction model established using SVM exhibited stable performance with a classification accuracy of up to 99.5%.The experiment demonstrated that fluorescence spectroscopy technology has high discrimination accuracy in tracing the origin of rice, providing a new method for rapid identification of rice origin.
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  • 文章类型: Journal Article
    在这项研究中,来自云南省五个主产区的34个Laggeracrispata(Vahl)Hepper和J.R.I.木材样品,被收集用于实验。UPLC-PDA用于产生指纹,并通过R和SIMCA-P分析常见峰。可以通过OPLS-DA和PCA来区分不同来源的L.crispata。比较了VIP值,得到了8个差异较大的特征成分。证实了这两种特征成分是黄脾素和青蒿素,并对这两种来自不同来源的薯片样品的化合物进行了定量分析。根据方差分析结果,澜沧江和红河、澜沧江和思茅的含量差异最大,分别。菊花素可以作为一种重要的质量控制指标,也可以作为一种重要的质量控制指标,并可以用来追踪脆皮的起源。
    In this study, thirty-four samples of Laggera crispata (Vahl) Hepper & J. R. I. Wood from five main production areas in Yunnan Province, were collected for experimentation. UPLC- PDA was used to generate fingerprints and the common peaks were analysed through R and SIMCA-P. L. crispata from different origins can be distinguished by OPLS-DA and PCA. The VIP values were compared, and 8 characteristic components with great differences were obtained. It was confirmed that the two characteristic components were chrysosplenetin and artemisetin, and the quantitative analysis was performed with these two compounds from L. crispata samples with different origins. Based on the variance analysis results, the most significant difference in the content of chrysosplendin and artemisin was in Lancang and Honghe and Lancang and Simao, respectively. The chrysosplenetin can be used as an important indicator for quality control and to trace the origin of L. crispata.
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  • 文章类型: Journal Article
    用于金属离子识别的荧光探针可分为选择性探针、弱选择性探针,和非选择性探针大致。弱选择性探针通常不用于金属离子的定量分析,因为它们的重叠光谱是由与多种金属离子的同时相互作用引起的。相反,不同地理来源的中药提取物中含有的不同金属离子与弱选择性荧光探针相互作用后会产生相应的荧光指纹图谱。该性能可用于食品或中草药的原产地追踪研究。合成了苯并咪唑衍生物的弱选择性荧光探针,并尝试将其用于黄芪的来源追踪。不同产地的黄芪由于金属离子和含量的差异与探针结合会产生不同的荧光指纹图谱。激发-发射矩阵(EEM)荧光光谱结合N路偏最小二乘判别分析(N-PLS-DA),和展开偏最小二乘判别分析(U-PLS-DA)用于鉴定来自五个地理来源的150个黄芪样品的来源。预测结果表明,U-PLS-DA模型和N-PLS-DA模型的正确识别率分别为95.92%和93.88%,分别。相比之下,U-PLS-DA的结果略优于N-PLS-DA。这些发现表明,基于弱选择性荧光探针的EEM荧光光谱结合多路化学计量学为中药来源追踪提供了良好的思路。
    Fluorescent probes for metal ion recognition can be divided into selective probes, weakly selective probes, and non-selective probes roughly. Weakly selective probes are not often used for quantitative analysis of metal ions due to their overlapping spectra resulting from simultaneous interactions with multiple metal ions. Conversely, the different metal ions contained in herbal medicine extracts from different geographical origins will produce corresponding fluorescence fingerprint profiles after interaction with weakly selective fluorescence probes. The performance can be used in the study of origin tracing of food or Chinese herbal medicine. Weakly selective fluorescent probes of benzimidazole derivatives have been synthesized and attempted to be used in the origin tracing of Radix Astragali in this work. Radix Astragali from different origins will produce different fluorescence fingerprint spectra due to the difference of metal ions and content in combination with the probe. Excitation-emission matrix (EEM) fluorescence spectroscopy in conjunction with N-way partial least squares discriminant analysis (N-PLS-DA), and unfolded partial least squares discriminant analysis (U-PLS-DA) were used to identify the origin of 150 Radix Astragali samples from five geographical origins. The prediction results showed that the correct recognition rates of the U-PLS-DA model and N-PLS-DA model are 95.92% and 93.88%, respectively. In comparison, the results of U-PLS-DA are slightly better than those of N-PLS-DA. These findings indicate that EEM fluorescence spectroscopy based on weakly selective fluorescent probes combined with multi-way chemometrics provides a good idea for the origin tracing of traditional Chinese medicine.
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  • 文章类型: Journal Article
    本研究成功地建立了一个科学和精确的方法来区分中国四个主要生产地区的年轻柑橘类水果(青皮)的地理起源,利用气相色谱-质谱(GC-MS)和快速气相色谱电子鼻(FlashGC电子鼻)对其挥发性成分和气味特征进行分析。通过化学计量学分析的应用,使用GC-MS建立了清皮样品之间的明显差异。此外,FlashGC电子鼻的应用促进了风味信息的提取,从而实现了对地理起源的歧视。几种风味成分被确定为原产地认证的重要因素。此外,采用两种模式识别算法实现区域识别的高精度。这项研究的结果表明,多元化学计量学和算法的融合可以熟练地辨别那些年轻柑橘类水果的来源。本研究结果可为今后食品和其他农产品质量控制的评估提供参考。
    The present study has successfully established a scientific and precise approach for distinguishing the geographical origins of young citrus fruits (Qingpi) from four primary production regions in China, using gas chromatography-mass spectrometry (GC-MS) and flash gas chromatography electronic nose (flash GC e-nose) to analyze the volatile composition and odor characteristics. Through the application of chemometric analysis, a clear differentiation among Qingpi samples was established using GC-MS. Additionally, the application of flash GC e-nose facilitated the extraction of flavor information, which enabled the discrimination of geographical origins. Several flavor components were identified as significant factors for origin certification. Furthermore, two pattern recognition algorithms were employed to achieve high accuracy in regional identification. The results of this investigation demonstrate that the amalgamation of multivariate chemometrics and algorithms can proficiently discern the sources of those young citrus fruits. The findings of this research can provide a reference for the assessment of quality control in food and other agricultural commodities in the times ahead.
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  • 文章类型: Journal Article
    在这项研究中,我们基于简单的DNA提取技术和单链标签杂交色谱打印阵列条(STH-PAS),开发了一种方便且易于使用的鹿茸来源鉴定方法。用于检测Cervuselaphus的引物组,RangiferTarandus,和12SrRNA不参与非特异性反应,如引物二聚体的形成。在三重和单重检测中,敏感性<1ngDNA。此外,在OTC原料药产品中可以检测到CervuselaphusDNA。尽管简化提取的检测灵敏度略低于常规方法提取的检测灵敏度,即使是少量样品,DNA的量也足够。三重或单重测定的选择将取决于测试的目的。例如,如果确定鹿茸是来源于Cervuselaphus还是Rangifertarandus很重要,三重试验是合适的。如果有必要探索Cervuselaphus的鹿茸绒是否包含在OTC原料药产品中,使用Cervuselaphus引物组的单重测定是有益的。如果有必要探索粉末状鹿茸是否包含假冒产品(来自Rangifertarandus),采用Rangifertarandus引物的单重测定是合适的。单重测定法甚至以1,000:1的比率检测次要组分。因此,我们的研究证明了将简单的DNA提取与STH-PAS相结合的方法可有效鉴定鹿茸的起源。
    In this study, we developed a convenient and easy-to-use origin identification method for antler velvets based on a simple DNA extraction technique and single-stranded tag hybridization chromatographic printed-array strip (STH-PAS). The primer sets used to detect Cervus elaphus, Rangifer tarandus, and 12S rRNA did not engage in non-specific reactions such as primer dimer formation. In both the triplex and singleplex assays, the sensitivity was < 1 ng DNA. Moreover, Cervus elaphus DNA could be detected in OTC crude drug products. Although the detection sensitivity resulting from the simplified extraction was slightly lower than that obtained with extraction by conventional methods, the amount of DNA was sufficient even from a small sample. The choice of a triplex or singleplex assay will depend on the purpose of the test. For example, if it is important to determine whether the antler velvet is derived from Cervus elaphus or Rangifer tarandus, a triplex assay is appropriate. If it is necessary to explore whether antler velvet from Cervus elaphus is included in an OTC crude drug product, a singleplex assay using the Cervus elaphus primer set is informative. If it is necessary to explore whether powdered antler velvet includes counterfeit products (from Rangifer tarandus), a singleplex assay employing the Rangifer tarandus primer is appropriate. The singleplex assay detects minor components even at a 1,000:1 ratio. Our study thus demonstrated the utility of a method combining simple DNA extraction with STH-PAS for efficient identification of the origin of antler velvets.
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  • 文章类型: Journal Article
    传统的基于金银花近红外光谱数据(NIRS)的一维卷积神经网络(1D-CNN)模型,效率低,无法有效识别未知类别。在本文中,我们提出了一个一维非常深的卷积神经网络(1D-VD-CNN),并设计了一种自动编码器机制,用于从未探索的栖息地中检测金银花。首先,1D-VD-CNN模型采用高效的超深(VD)结构来代替传统1D-CNN模型中的隐层结构。该模型可直接用于分析一维近红外光谱数据(NIRS)。第二,结合自动编码器的重建误差,设计了一种考虑未知来源的金银花识别方法,通过使用自动编码器和待测试样本的重建误差,可以解决卷积神经网络的高置信度问题。可以通过将校正后的置信水平与预设阈值进行比较来确定样本是否为未知品种。结果表明,1D-VD-CNN训练集和测试集的准确率为100%,损失值收敛于0.001。与传统的1D-CNN模型相比,参数和FLOP减少了近71%和8%,分别。同时,与NIRS分析和PLS-DA方法相比,1D-VD-CNN模型对金银花近红外光谱分类具有更高的识别效率和更好的识别性能。同时,用于未知来源金银花类别检测机制的自动编码器的准确率为98%。该模型可以快速有效地对不同栖息地的金银花进行分类,并从未探索的栖息地中检测金银花。
    The disadvantages of the traditional one-dimensional convolution neural network (1D-CNN) model based on honeysuckle near-infrared spectral data (NIRS) include high parameter quantity, low efficiency, and inability to identify unknown categories effectively. In this paper, we propose a one-dimensional very deep convolution neural network (1D-VD-CNN) and design an auto-encoder mechanism for detecting honeysuckle from unexplored habitats. First, the 1D-VD-CNN model uses the efficient very deep (VD) structure to replace the hidden layer structure in the traditional 1D-CNN model. The model can be directly applied to analyze one-dimensional near-infrared spectral data (NIRS). Second, combining the reconstruction error of the auto-encoder, a honeysuckle identification method considering an unknown origin is designed, which can solve the problem of high confidence in convolution neural networks by using an auto-encoder and reconstruction errors of the samples to be tested. Whether the sample is an unknown variety can be determined by comparing the corrected confidence level with the preset threshold value. The results show that the accuracy of the 1D-VD-CNN training set and test set is 100%, and the loss value converges to 0.001. Compared with the traditional 1D-CNN model, the parameters and FLOPs are reduced by nearly 71% and 8%, respectively. At the same time, compared with the NIRS analysis and the PLS-DA method, the 1D-VD-CNN model has higher efficiency and better recognition performance for honeysuckle near-infrared spectral classification. Meanwhile, the accuracy rate of the auto-encoder for the category detection mechanism of honeysuckle from an unknown origin is 98%. The model can quickly and efficiently classify honeysuckle from different habitats and detect honeysuckle from unexplored habitats.
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  • 文章类型: Journal Article
    壳聚糖是一种天然多糖,已被授权用于处理葡萄酒和葡萄酒的酿酒实践。该授权仅限于真菌来源的壳聚糖,而禁止甲壳类动物来源的壳聚糖。为了保证它的起源,一种基于碳δ13C的稳定同位素比(SIR)测量的方法,氮δ15N,最近提出了壳聚糖的氧δ18O和氢δ2H,但没有表明这些参数的阈值真实性极限,第一次,在本文中进行了估计。此外,通过SIR分析的部分样品,由于技术资源有限,傅里叶变换红外光谱(FTIR)和热重分析(TGA)被用作简单快速的鉴别方法。具有高于-14.2/和低于-125.1/的δ13C值的样品可以被认为是真正的真菌壳聚糖,而不需要分析其他参数。如果δ13C值在-25.1和-24.9之间,有必要进一步进行参数δ15N的评估,必须高于+2.7。具有低于+25.3^的δ18O值的样品可以被认为是真正的真菌壳聚糖。最大降解温度(使用TGA获得)与酰胺I和NH2/酰胺II的峰面积(使用FTIR获得)的组合也可以区分多糖的两种来源。基于TGA的层次聚类分析(HCA)和主成分分析(PCA),FTIR和SIR数据成功地将测试样品分配到信息簇。因此,我们提出的技术描述为一个强大的分析策略的一部分,从甲壳类动物或真菌的壳聚糖样品的正确鉴定。
    Chitosan is a natural polysaccharide which has been authorized for oenological practices for the treatment of musts and wines. This authorization is limited to chitosan of fungal origin while that of crustacean origin is prohibited. To guarantee its origin, a method based on the measurement of the stable isotope ratios (SIR) of carbon δ13C, nitrogen δ15N, oxygen δ18O and hydrogen δ2H of chitosan has been recently proposed without indicating the threshold authenticity limits of these parameters which, for the first time, were estimated in this paper. In addition, on part of the samples analysed through SIR, Fourier transform infrared spectrometry (FTIR) and thermogravimetric analysis (TGA) were performed as simple and rapid discrimination methods due to limited technological resources. Samples having δ13C values above -14.2‱ and below -125.1‱ can be considered as authentic fungal chitosan without needing to analyse other parameters. If the δ13C value falls between -25.1‱ and -24.9‱, it is necessary to proceed further with the evaluation of the parameter δ15N, which must be above +2.7‱. Samples having δ18O values lower than +25.3‱ can be considered as authentic fungal chitosan. The combination of maximum degradation temperatures (obtained using TGA) and peak areas of Amide I and NH2/Amide II (obtained using FTIR) also allows the discrimination between the two origins of the polysaccharide. Hierarchical cluster analysis (HCA) and principal component analysis (PCA) based on TGA, FTIR and SIR data successfully distributed the tested samples into informative clusters. Therefore, we present the technologies described as part of a robust analytical strategy for the correct identification of chitosan samples from crustaceans or fungi.
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  • 文章类型: Journal Article
    背景:三七(Burkill)F.H.ChenexC.H.Chow,是一种具有多种功效的著名草药。在这项研究中,对作用机理进行了一系列全面分析,组分含量,原产地识别,并进行了三七的含量预测。
    目的:目的是分析药效机制,不同产地三七的含量和组间差异,并确定来源和预测内容。
    方法:数据库使用来自四个不同来源的三七样品进行分析,网络药理学(Q标记)和指纹分析[高效液相色谱(HPLC),衰减全反射傅里叶变换红外(ATR-FTIR)和近红外(NIR)]结合数据融合策略(低和特征级)。
    结果:四种皂苷被鉴定为Q标记,并通过24个核心靶标对信号通路发挥药理作用。HPLC的定性和定量分析表明,各组之间和不同来源之间存在差异。因此,考虑到治疗疾病的需要,结合网络数据库和网络药理学,通过作用机理和所需的皂苷含量确定适宜的生产区域。低层次数据融合成功识别了不同产地三七的产地,并对其含量进行了预测。偏最小二乘判别分析(PLS-DA)模型各评价指标准确率均为1,t-SNE(t分布随机近邻嵌入)可视化效果良好。偏最小二乘回归(PLSR)模型的决定系数(R2)范围为0.9235-0.9996,交叉验证均方根误差(RMSECV)和预测均方根误差(RMSEP)范围为0.301-1.519。
    结论:本研究旨在为三七的质量控制提供足够的理论依据。
    BACKGROUND: Panax notoginseng (Burkill) F. H. Chen ex C. H. Chow, is a well-known herb with multitudinous efficacy. In this study, a series of overall analyses on the action mechanism, component content, origin identification, and content prediction of P. notoginseng are conducted.
    OBJECTIVE: The purpose was to analyse the mechanism of pharmacological efficacy, differences between contents and groups of P. notoginseng from different origins, and to identify the origin and predict the content.
    METHODS: The P. notoginseng samples from four different origins were used for analysis by the database, network pharmacology (Q-marker) and fingerprint analysis [high-performance liquid chromatography (HPLC), attenuated total reflectance Fourier-transform infrared (ATR-FTIR) and near-infrared (NIR)] combined with data fusion strategy (low- and feature-level).
    RESULTS: Four saponins were identified as Q-markers, and exerted pharmacological effects on signalling pathways through 24 core targets. The qualitative and quantitative analysis of HPLC showed that there were differences among groups and different origins. Therefore, considering the need to treat diseases, combined with network database and network pharmacology, the suitable producing areas were determined through the mechanism of action and the required saponin content. The low-level data fusion successfully identified the origin and predicted the content of P. notoginseng from different origins. The accuracy rate of each evaluation index of the partial least squares discriminant analysis (PLS-DA) model was 1, and the t-SNE (t-distributed stochastic neighbor embedding) visualisation results were good. The coefficient of determination (R2 ) of the partial least squares regression (PLSR) model ranged from 0.9235-0.9996, and the root mean square error of cross-validation (RMSECV) and root mean square error of prediction (RMSEP) range is 0.301-1.519.
    CONCLUSIONS: This study was designed to provide a sufficient theoretical basis for the quality control of P. notoginseng.
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  • 文章类型: English Abstract
    金银花(LJF),散装药材,长期以来一直在临床上使用。主要/道地产区是山东,河南,和河北。然而,目前还没有关于不同地区LJF挥发性成分差异的系统研究。在这项研究中,采用气相色谱-质谱(GC-MS)技术对3个主产区30批LJF中的挥发性成分进行了检测。根据相对气味活性值(ROAV),对关键香气成分进行了分析。进行多变量统计分析以分析来自3个地区的样品中的差异成分和特征香气成分。最后,从样品中鉴定出113种挥发物,主要是酒精,酯类,酸,醛类,酮,和烯烃。在这三个领域的共同组成部分中,芳樟醇,肉豆蔻酸,α-亚麻酸甲酯含量较高。基于ROAV测定了LJF中的15种关键香气成分和9种修饰香气成分。15个差分组件可用于原点识别。其中,(E,E)-2,4-癸二烯醛和己醛对河南LJF的香气有很大贡献,α-nerol是河北LJF的特征香气成分。此外,月桂醛是山东LJF的生物标志物。本研究可为LJF的产地鉴定和质量评价提供参考。
    Lonicerae Japonicae Flos(LJF), a bulk medicinal material, has long been used in clinical settings. The main/Dao-di production areas are Shandong, Henan, and Hebei. However, no systematic study on the difference in volatile components of LJF from different areas is available at the moment. In this study, gas chromatography-mass spectrometry(GC-MS) was used to detect the volatile components in 30 batches of LJF from 3 main production areas. Based on the relative odor activity value(ROAV), the key aroma components were analyzed. Multivariate statistical analysis was performed to analyze the differential components and characteristic aroma components in the samples from the 3 areas. Finally, 113 volatiles were identified from the samples, which were mainly alcohols, esters, acids, aldehydes, ketones, and alkenes. Among the common components of the three areas, linalool, myristic acid, and α-linolenic acid methyl ester had high content. A total of 15 key and 9 modifying aroma components in LJF were determined based on ROAV. The 15 differential components can be used for origin identification. Among them,(E, E)-2,4-decadienal and hexanal contributed a lot to the aroma of LJF from Henan and α-nerol was a characteristic aroma component of LJF in Hebei. In addition, lauryl aldehyde was a biomarker of LJF from Shandong. This study can provide a reference for the origin identification and quality evaluation of LJF.
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