Journal of Food Composition and Analysis最新文献_第6页

Berberine from Berberis aristata: How stable isotope analysis enables the discrimination between natural and synthetic origins 小檗中的小檗碱：稳定同位素分析如何区分天然和合成来源

IF 4.6 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis

Pub Date : 2026-03-01 Epub Date: 2026-02-11 DOI: 10.1016/j.jfca.2026.108989

Matteo Perini , Silvia Pianezze , Elena Apelganets , Andrea Poletti , Clizia Lacerenza , Roberto Larcher

Berberine is a benzylisoquinoline alkaloid traditionally sourced from plants such as Berberis aristata and Coptis chinensis, widely used for its therapeutic properties. However, the high cost of natural extraction has led to the increasing use of cheaper synthetic berberine derived from petrochemical sources, raising concerns over product authenticity. This study investigates the stable isotope composition (δ¹³C, δ¹⁵N, δ²H, δ¹⁸O) of natural berberine extracted from Berberis aristata and synthetic samples produced through unknown chemical routes, likely involving catechol-based starting materials, using isotope ratio mass spectrometry (IRMS). Among the tested isotopic parameters, δ¹³C proved to be the most reliable for origin discrimination, with natural berberine showing significantly lower values (–33 ‰ to –32 ‰) than synthetic products (–30.6 ‰ to –29.7 ‰). The δ²H provided complementary differentiation, although variability in synthetic pathways can produce partial overlap with natural products. Conversely, δ¹⁵N and δ¹⁸O displayed limited discriminating power due to overlapping ranges. A market survey of low-cost commercial berberine supplements labelled as natural revealed that most samples matched isotopic values typical of synthetic berberine, indicating widespread undeclared substitution. These findings highlight the importance of stable isotope analysis as a robust tool for authenticity verification and quality control of botanical ingredients in consumer products.

小檗碱是一种苯基异喹啉类生物碱，传统上来源于小檗和黄连等植物，因其治疗特性而被广泛使用。然而，自然提取的高成本导致越来越多地使用从石化来源提取的更便宜的合成小檗碱，这引起了对产品真实性的担忧。本研究利用同位素比质谱法（IRMS）研究了从小檗中提取的天然小檗碱的稳定同位素组成（δ¹³C, δ¹35 N, δ²H, δ¹⁸O）和通过未知化学途径生产的合成样品，可能涉及以儿茶酚为基础的原料。在测定的同位素参数中，δ¹³C被证明是最可靠的原产地区分，天然小檗碱的值（-33 ‰~ -32 ‰）显著低于合成产品（-30.6 ‰~ -29.7 ‰）。δ²H提供了互补的分化，尽管合成途径的可变性可以与天然产物产生部分重叠。相反，δ¹⁸N和δ¹⁸O由于重叠范围而表现出有限的辨别能力。一项对标有天然标签的低成本商业小檗碱补充剂的市场调查显示，大多数样品的同位素值与合成小檗碱的典型同位素值相符，这表明广泛存在未申报的替代。这些发现突出了稳定同位素分析作为消费品中植物成分真实性验证和质量控制的强大工具的重要性。

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引用次数: 0

From preparation to function: An updated review on hazelnut bioactive peptides and research prospects 从制备到功能：榛子生物活性肽的最新进展及研究前景

IF 4.6 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis

Pub Date : 2026-03-01 Epub Date: 2026-02-01 DOI: 10.1016/j.jfca.2026.108969

Chenshan Shi , Junhua Han , Yuanyuan Ren , Lisong Liang

Hazelnut, a globally significant tree nut, is rich in proteins that serve as ideal precursors for bioactive peptides. This review comprehensively summarizes the state-of-the-art in the production, biological activities, and structure-activity relationships of hazelnut-derived bioactive peptides. We discuss both conventional (enzymatic hydrolysis) and emerging in silico (bioinformatics) preparation approaches, highlighting their respective advantages in releasing and identifying novel peptides. The peptides exhibit a remarkable range of bioactivities, including potent antihypertensive (via ACE inhibition), antioxidant, anti-diabetic (via DPP-IV inhibition), anti-inflammatory, and anti-obesity effects. Critically, we elucidate how specific structural features—such as low molecular weight, and the presence of hydrophobic/aromatic amino acids at the termini—underpin these health-promoting properties. Future perspectives point towards the integration of conventional and in silico methods, leveraged by artificial intelligence and novel processing technologies, to accelerate the discovery and application of hazelnut peptides in functional foods and nutraceuticals for combating chronic diseases.

榛子是一种全球重要的树坚果，富含蛋白质，是生物活性肽的理想前体。本文就榛子生物活性肽的制备、生物活性及构效关系等方面的研究进展进行了综述。我们讨论了传统的（酶水解）和新兴的硅（生物信息学）制备方法，强调了它们在释放和鉴定新肽方面的各自优势。这些肽具有显著的生物活性，包括有效的抗高血压（通过ACE抑制）、抗氧化、抗糖尿病（通过DPP-IV抑制）、抗炎和抗肥胖作用。关键的是，我们阐明了特定的结构特征-例如低分子量和在末端存在疏水/芳香氨基酸-如何支撑这些促进健康的特性。未来的展望指向传统和计算机方法的整合，利用人工智能和新型加工技术，加速榛子肽在功能性食品和营养保健品中的发现和应用，以对抗慢性疾病。

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引用次数: 0

Magnetic deep eutectic solvent-based vortex-assisted liquid liquid microextraction method for rapid determination of 4-methylimidazole in food and beverage matrices: Multivariate approach 磁性深共熔溶剂涡旋辅助液液微萃取法快速测定食品和饮料基质中4-甲基咪唑：多元方法

IF 4.6 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis

Pub Date : 2026-03-01 Epub Date: 2026-01-27 DOI: 10.1016/j.jfca.2026.108952

Seçkin Fesliyan , Adil Elik , Gökhan Güven Batır , Nail Altunay

This article describes in detail the elements of a magnetic deep eutectic solvent-based vortex-assisted liquid liquid microextraction (MDES-VA-LLME) procedure for the extraction and quantification of 4-methylimidazole (4-MeI) from food and beverage matrices. Phase separation was achieved with a strong magnet. The MDES-VA-LLME procedure does not include additional experimental steps such as heating or centrifugation to ensure phase separation. Therefore, the procedure enables the rapid and low-cost extraction of 4-MeI. Optimization step was carried out using the Box–Behnken design. The MDES-VA-LLME was linear between 25 and 900 µg L⁻¹ (R² = 0.9921). Relative standard deviations of the presented procedure were acceptable for intraday (1.2–1.8 %, N = 5) and interday (1.6–2.3 %, N = 5 ×3) studies, with a low detection limit (7.4 µg L⁻¹) and satisfactory relative recovery (92.5–98.1 %). The accuracy of the MDES-VA-LLME procedure was compared with the reference method. In the final stage, the MDES-VA-LLME procedure was successfully applied to different in food and beverage matrices.

本文详细介绍了磁性深共晶溶剂型涡流辅助液液微萃取（MDES-VA-LLME）从食品和饮料基质中提取和定量4-甲基咪唑（4-MeI）的基本原理。相分离是用强力磁铁实现的。MDES-VA-LLME程序不包括额外的实验步骤，如加热或离心，以确保相分离。因此，该方法能够快速、低成本地提取4-MeI。采用Box-Behnken设计进行优化步骤。MDES-VA-LLME在25 ~ 900 µg L−1之间呈线性关系（R2 = 0.9921）。相对标准偏差的过程展示接受盘中(1.2 - -1.8 % N = 5)和interday(1.6 - -2.3 % N = 5 ×3)研究中,与较低的检出限(7.4 µg L−1)和相对满意的恢复(92.5 - -98.1 %)。比较了MDES-VA-LLME方法与参考方法的准确性。在最后阶段，MDES-VA-LLME程序成功应用于不同的食品和饮料基质。

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引用次数: 0

Classification of Iranian king of spices (saffron) types by texture features 伊朗香料之王（藏红花）的质地特征分类

IF 4.6 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis

Pub Date : 2026-03-01 Epub Date: 2026-01-08 DOI: 10.1016/j.jfca.2026.108883

Amir Kazemi , Mostafa Khojastehnazhand

Precise authentication of saffron types in Iran, as the main producer not only prevents economic losses for producers and consumers, but also minimizes the threat of adulteration. Therefore, in the present research, combination of machine vision method and texture feature extraction algorithms was applied to classify 3 main types of Iran commercial saffron including Sargol, Negin, and Pushal. Three texture feature extraction algorithms including Local Binary Pattern (LBP), Gray Level Co-occurrence Matrix (GLCM), and Gray Level Run Length Matrix (GLRM) and combination of them were employed. Various machine learning models including Discriminant Analysis (DA), Support Vector Machine (SVM), K-Nearest Neighbor (KNN), and Artificial Neural Network (ANN) models were applied to evaluate the results of classification. SVM model with Linear kernel and all features had the best outcome with 87.22 % for test dataset. Furthermore, four feature selection algorithms including Chi-Square Test (CST), Minimum Redundancy Maximum Relevance (MRMR), ReliefF, and Kruskal Wallis were used to select the most important features. Selected features by CST algorithm with SVM model had the best outcome with the accuracy of 76.7 %. The results of present research confirm the applicability of machine vision technique for classification of commercial saffron types which is significant in saffron industry.

伊朗作为主要生产国，对藏红花类型进行精确认证，不仅可以防止生产者和消费者的经济损失，还可以最大限度地减少掺假的威胁。因此，本研究将机器视觉方法与纹理特征提取算法相结合，对伊朗商业藏红花Sargol、Negin、Pushal三种主要类型进行分类。采用局部二值模式（LBP）、灰度共生矩阵（GLCM）和灰度运行长度矩阵（GLRM）三种纹理特征提取算法及其组合。采用判别分析（DA）、支持向量机（SVM）、k近邻（KNN）和人工神经网络（ANN）等机器学习模型对分类结果进行评价。对于测试数据集，采用线性核和所有特征的SVM模型的准确率为87.22 %。此外，使用卡方检验（CST）、最小冗余最大相关性（MRMR）、ReliefF和Kruskal Wallis四种特征选择算法来选择最重要的特征。CST算法结合SVM模型选择特征的准确率为76.7 %，效果最好。本文的研究结果证实了机器视觉技术在商品藏红花分类中的适用性，这在藏红花工业中具有重要意义。

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引用次数: 0

Identification of novel umami peptides in douchi and mechanisms by sensory analysis and molecular modeling 豆豉中新型鲜味肽的鉴定及其机理的感官分析和分子模拟

IF 4.6 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis

Pub Date : 2026-03-01 Epub Date: 2026-02-16 DOI: 10.1016/j.jfca.2026.108986

Liyan Liu , Huiyan Zhao , Guili Jiang , Meizhen Xu , Jianxu Chen , Wenjie Xu , Cuiling Li , Chunxia Zhou , Jin Chen , Donghui Luo

The study aimed to identify umami peptides in douchi and investigate their mechanism of action in terms of umami. Douchi were isolated and purified using ultrafiltration combined with an ion-exchange resin, and their identity was confirmed by ultra-high performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS). Additionally, umami peptides such as TYDGDTEP, VGSEL, FGDEL, IGISIDDH, and RDLL were identified by predictive modeling of umami activity and molecular docking analyses. Sensory evaluation indicated that the umami thresholds for these five umami peptides ranged from 0.5 to 2.0 mg/mL, with TYDGDTEP exhibiting the most potent synergistic umami effect. The umami threshold for peptide TYDGDTEP is 0.5 mg/mL, with a molecular docking binding energy of −111.58 kcal/mol. The molecular docking and molecular simulation results of the five umami peptides identified above reveal that hydrogen bonds and electrostatic interactions are crucial for the formation of umami flavor. Besides, the residues Glu148, Lys155, Glu217, Asn150, Asp218, and Asp219 were identified as critical for binding the five umami peptides to the Taste Receptor Type 1 Member 1/3（T1R1/T1R3）. This study provides a theoretical basis and reference for the processing and application of douchi umami peptides.

本研究旨在鉴定豆豉中的鲜味肽，并从鲜味的角度探讨其作用机制。采用超滤结合离子交换树脂对豆豉进行分离纯化，并利用超高效液相色谱-串联质谱（UHPLC-MS/MS）对豆豉进行鉴定。此外，鲜味肽如TYDGDTEP、VGSEL、FGDEL、IGISIDDH和RDLL通过鲜味活性预测建模和分子对接分析鉴定。感官评价表明，5种鲜味肽的鲜味阈值范围为0.5 ~ 2.0 mg/mL，其中TYDGDTEP的增效鲜味作用最强。肽TYDGDTEP的鲜度阈值为0.5 mg/mL，分子对接结合能为- 111.58 kcal/mol。上述五种鲜味肽的分子对接和分子模拟结果表明，氢键和静电相互作用对鲜味风味的形成至关重要。此外，Glu148、Lys155、Glu217、Asn150、Asp218和Asp219被鉴定为将5种鲜味肽结合到味觉受体1型成员1/3（T1R1/T1R3）上的关键残基。本研究为豆豉鲜味肽的加工和应用提供了理论依据和参考。

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引用次数: 0

Species-specific identification of Colla corii asini and its non-donkey adulterating ingredients based on liquid chromatography–tandem mass spectrometry proteomics 基于液相色谱-串联质谱蛋白质组学的猪Colla corii asini及其非驴掺假成分的种特异性鉴定

IF 4.6 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis

Pub Date : 2026-03-01 Epub Date: 2026-01-28 DOI: 10.1016/j.jfca.2026.108954

Mingyan Chi , Shuai Yang , Zuying Zhou , Maochen Wei , Min Zhang , Jia Sun , Yueting Li , Chunhua Liu , Yong Huang , Lin Zheng

Colla corii asini (CCA), also called Ejiao, is a protein-rich, healthy food prepared from the dried or fresh skins of donkeys with high nutritional and medicinal value. Therefore, identifying CCA and its non-donkey adulterating ingredients is of great significance. In this study, liquid chromatography–tandem mass spectrometry proteomics technology combined with bioinformatics was used to discover the specific peptide biomarkers in CCA and its non-donkey adulterating ingredients (sheep, horse, pig, camel, and cattle). A total of nine specific peptide biomarkers (one from CCA; one each from horse and pig skin gelatin; and two each from sheep, camel, and cow skin gelatin) with good signal responses were screened. After synthesizing these nine specific peptide biomarkers, an ultrahigh-performance liquid chromatography–tandem mass spectrometry (UPLC–MS/MS) multireaction monitoring (MRM) analysis method was established and the limits of specific peptide biomarkers of non-donkey adulterating ingredients content in CCA were proposed. This study established a rapid, simple, highly sensitive, and specific method for the authenticity certification and quality assessment of CCA, ensuring product quality and safety. The method enables identification of specific peptide biomarkers in ass hide glue while simultaneously detecting five adulterated ingredients: sheep, horse, pig, camel, and cattle skins.

阿胶（cola corii asini），又称阿胶，是一种富含蛋白质的健康食品，由干燥或新鲜的驴皮制成，具有很高的营养和药用价值。因此，鉴别CCA及其非驴掺假成分具有重要意义。本研究采用液相色谱-串联质谱-蛋白质组学技术结合生物信息学，发现了CCA及其非驴掺假成分（羊、马、猪、骆驼和牛）中的特异性肽生物标志物。共筛选了9个具有良好信号响应的特异性肽生物标志物（1个来自CCA， 1个来自马和猪皮肤明胶，2个来自羊、骆驼和牛皮肤明胶）。在合成这9种特异性肽生物标志物后，建立了超高效液相色谱-串联质谱（UPLC-MS /MS）多反应监测（MRM）分析方法，并提出了CCA中非驴掺假成分含量特异性肽生物标志物的限量。本研究建立了一种快速、简便、高灵敏度、专一的CCA真伪认证和质量评估方法，保证了产品的质量安全。该方法能够在检测羊皮、马皮、猪皮、骆驼皮和牛皮五种掺假成分的同时，鉴定驴皮胶中的特异性肽生物标志物。

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引用次数: 0

Quantifying nutrients and beyond: Analytical approaches for food composition tables and databases 量化营养及其他：食品成分表和数据库的分析方法

IF 4.6 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis

Pub Date : 2026-03-01 Epub Date: 2026-01-30 DOI: 10.1016/j.jfca.2026.108962

Yvette Mukunzi, Alberta N.A. Aryee

Food composition tables and databases (FCTs/DBs) are fundamental resources for evaluating nutrient content, shaping dietary guidelines, and supporting nutrition policy. However, traditional FCTs/DBs typically report only total nutrient values, overlooking factors that influence nutrient absorption and utilization. This review highlights the importance of incorporating anti-nutritional factors (ANFs), digestibility, and bioavailability data often missing from existing FCTs/DBs but crucial for accurately assessing nutritional quality. These aspects are examined through a range of methods, from conventional assays to advanced technologies, indicating an expanded analytical framework that combines nutritional research with emerging technologies. By reviewing current methodologies and identifying critical data gaps, this work advocates for a more comprehensive approach to developing FCTs/DBs. This broader perspective enhances understanding of nutrient dynamics across populations and addresses limitations in current data, enabling more accurate dietary assessments and evidence-based nutrition planning.

食物成分表和数据库（fct / db）是评估营养素含量、制定膳食指南和支持营养政策的基础资源。然而，传统的fct /DBs通常只报告总营养价值，而忽略了影响营养吸收和利用的因素。这篇综述强调了纳入抗营养因子（ANFs）、消化率和生物利用度数据的重要性，这些数据通常在现有的fct / db中缺失，但对于准确评估营养质量至关重要。这些方面通过一系列方法进行检查，从传统分析到先进技术，表明将营养研究与新兴技术相结合的扩展分析框架。通过审查目前的方法和确定关键的数据差距，这项工作倡导采用更全面的方法来制定fct / db。这一更广泛的视角增强了对人群营养动态的理解，并解决了当前数据的局限性，从而实现更准确的饮食评估和基于证据的营养规划。

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引用次数: 0

Spatiotemporal evolution and mechanistic drivers of alkylpyrazines in Sauce-aroma Baijiu: From brewing to aging 酱香白酒中烷基吡嗪的时空演化与机制驱动：从酿造到陈酿

IF 4.6 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis

Pub Date : 2026-03-01 Epub Date: 2026-01-24 DOI: 10.1016/j.jfca.2026.108942

Longyuan Lin , Ziying Ruan , Hui Xu , Jianyu Huang , Dengmi Wang , Qihe Chen , Peichao Zhang , Jicheng Chen

The tracking and regulation of alkylpyrazines (APZ) in Sauce-aroma Baijiu (SSAB) are crucial, as these chemicals significantly influence its distinctive flavor character. However, current research has lacked systematic tracking of APZ across regions and brewing processes. This study developed a highly sensitive and accurate HPLC-FLD method to simultaneously quantify 13 APZ in SSAB and analyzed Baijiu samples across multiple dimensions. A systematic regional analysis indicated significant ( p < 0.01) variations in APZ concentration, with Guizhou exhibiting the highest average level (29.498 ± 7.511 mg/L), followed by Sichuan, Fujian, and Heilongjiang, driven by meteorological circumstances, environmental quality, and microbial community composition. Further investigation into the formation patterns of APZ during SSAB fermentation showed that peak accumulation occurred in the sixth (28.607 ± 0.952 mg/L) brewing rounds. Kinetic simulation of the aging process demonstrated that the majority of APZ adhere to first-order kinetics. Total APZ demonstrated polynomial development that decelerated after three years, due to precursor depletion, heightened acidity, and competitive responses. These findings underscore the critical roles of raw materials, microbial ecology, and process parameters in shaping the flavor characteristics of SSAB. This study elucidates the transformation behavior of APZ during brewing and its underlying mechanisms, guiding process control and aging optimization of SSAB.

烷基吡嗪（APZ）对酱香白酒的风味特性有重要影响，因此对其进行跟踪和调控至关重要。然而，目前的研究缺乏跨地区和酿造过程的APZ系统跟踪。本研究建立了一种高灵敏度、高准确度的HPLC-FLD方法，可同时定量SSAB中13种APZ，并对白酒样品进行多维度分析。系统区域分析表明，APZ浓度差异显著（p <； 0.01），贵州平均水平最高（29.498 ± 7.511 mg/L），其次是四川、福建和黑龙江，受气象条件、环境质量和微生物群落组成的影响。对SSAB发酵过程中APZ形成规律的进一步研究表明，APZ积累高峰出现在第6轮（28.607 ± 0.952 mg/L）。时效过程的动力学模拟表明，大部分APZ符合一阶动力学。由于前驱体枯竭、酸度升高和竞争反应，总APZ在三年后表现出多项式发展减速。这些发现强调了原料、微生物生态和工艺参数在形成SSAB风味特征中的关键作用。本研究旨在阐明APZ在酿酒过程中的转化行为及其机制，为SSAB的工艺控制和陈化优化提供指导。

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引用次数: 0

Non-destructive estimation of chlorophyll content in wasabi (Eutrema japonicum) leaves using spectral reflectance and deep learning models 基于光谱反射和深度学习模型的山葵叶片叶绿素含量无损估测

IF 4.6 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis

Pub Date : 2026-03-01 Epub Date: 2026-01-19 DOI: 10.1016/j.jfca.2026.108919

Adenan Yandra Nofrizal , Rei Sonobe , Hiroto Yamashita , Akio Morita , Takashi Ikka

Accurate, non-destructive estimation of chlorophyll content is essential for monitoring crop physiological status and supporting precision cultivation management. This study investigated the feasibility of combining leaf spectral reflectance with deep learning models to estimate chlorophyll content in hydroponically grown wasabi (Eutrema japonicum), while also deriving insights applicable to other leafy crops. A total of 179 leaf samples were collected under diverse nutrient conditions, including variations in pH, sulfur levels, and macronutrient composition across two growing seasons. Spectral data were preprocessed using second-order trend removal followed by a fractional-order derivative (FOD) transformation based on the Grünwald–Letnikov definition to enhance subtle spectral features. Three regression models—a one-dimensional convolutional neural network (1D-CNN), a Vision Transformer (ViT), and a Swin Transformer (SWIN)—were evaluated. The 1D-CNN achieved the highest accuracy when low-order fractional derivatives (0–0.4) were applied, highlighting its sensitivity to localized spectral variations, whereas SWIN performed best with minimally processed original spectra, and ViT showed relatively stable performance across preprocessing methods. These findings indicate that optimal preprocessing strategies depend on model architecture, providing practical guidance for selecting suitable combinations of spectral preprocessing and deep learning models when designing chlorophyll monitoring systems for wasabi and other crops.

准确、无损地估算叶绿素含量对于监测作物生理状况和支持精准栽培管理至关重要。本研究探讨了将叶片光谱反射率与深度学习模型相结合估算水培山葵叶绿素含量的可行性，同时也得出了适用于其他叶类作物的见解。在不同的营养条件下，包括pH、硫水平和两个生长季节的宏量营养素组成的变化，共收集了179个叶片样品。利用二阶趋势去除和基于gr nwald - letnikov定义的分数阶导数（FOD）变换对光谱数据进行预处理，增强细微光谱特征。对一维卷积神经网络（1D-CNN）、视觉变压器（ViT）和Swin变压器（Swin）三种回归模型进行了评估。1D-CNN在使用低阶分数阶导数（0-0.4）时获得了最高的精度，突出了其对局部光谱变化的敏感性，而SWIN在对原始光谱进行最小处理时表现最佳，ViT在各种预处理方法中表现出相对稳定的性能。这些发现表明，最佳预处理策略取决于模型结构，为在设计山葵和其他作物叶绿素监测系统时选择合适的光谱预处理和深度学习模型组合提供了实用指导。

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引用次数: 0

Development and validation of microwave-assisted saponification and ultrasonic-assisted enzymolysis for UPC2-APCI-MS/MS detection of several fat-soluble vitamins in infant formula 微波辅助皂化和超声辅助酶解UPC2-APCI-MS/MS检测婴儿配方奶粉中几种脂溶性维生素的建立与验证

IF 4.6 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis

Pub Date : 2026-03-01 Epub Date: 2026-01-25 DOI: 10.1016/j.jfca.2026.108943

Tiefeng Yuan , Linzhou Chen , Sisi Quan , Jinjian Zhong , Liping Wang , Huajun Fan , Chen Lin

A novel approach for the determination of six fat-soluble vitamins (FSVs) in infant formula was developed by ultra-performance convergence chromatography hyphenated with atmospheric pressure chemical ionization and tandem mass spectrometry (UPC²-APCI-MS/MS) in combination with microwave-assisted saponification (MAS) and ultrasonic-assisted enzymolysis (UAE). MAS and UAE processes were optimized by investigating key factors such as alkali dosage, reaction temperature and time, extractant type and volume prior to UPC²-APCI-MS/MS analysis. Under the optimized conditions, MAS achieved recovery rates of 96.84 −102.6 % for vitamins A, D₂, D₃ and E, while UAE provided those of 99.85 % and 97.93 % for vitamins K₁ and K₂, respectively. MAS and UAE pretreatments significantly reduced saponification and enzymolysis times. Using supercritical CO₂ with methanol-isopropanol (2:3, v/v) as the mobile phase, UPC²-APCI-MS/MS method was established by optimizing chromatographic and APCI-MS/MS conditions. The FSVs exhibited good linearity in the range of 10.0 −1000.0 μg/L (R²≥0.9975), with LODs and LOQs ranging from 1.5 −10.0 μg/L and 5.0 −35.0 μg/L, respectively. Recoveries ranged from 96.85 % to 106.4 % with intra-day and inter-day precisions of 1.22 −5.49 % and 1.94 −12.5 %, respectively. The combination of UPC²-APCI-MS/MS with MAS and UAE was successfully applied to determine FSVs in actual samples, proving to be a rapid and efficient alternative for quality control of infant formula.

采用超高效会聚色谱-常压化学电离串联质谱（UPC2-APCI-MS/MS）联用微波辅助皂化（MAS）和超声辅助酶解（UAE）技术，建立了测定婴儿配方奶粉中6种脂溶性维生素（FSVs）的新方法。在UPC2-APCI-MS/MS分析之前，通过考察碱用量、反应温度和时间、萃取剂类型和体积等关键因素，对MAS和UAE工艺进行了优化。在优化条件下，MAS对维生素A、D2、D3和E的回收率为96.84 −102.6 %，UAE对维生素K1和K2的回收率分别为99.85 %和97.93 %。MAS和UAE预处理显著减少了皂化和酶解时间。以超临界CO2甲醇-异丙醇（2:3,v/v）为流动相，通过优化色谱条件和APCI-MS/MS条件，建立了UPC2-APCI-MS/MS方法。FSVs在10.0 ~ 1000.0 μg/L范围内线性良好（R2≥0.9975），lod和loq分别在1.5 ~ 10.0 μg/L和5.0 ~ 35.0 μg/L范围内。加样回收率为96.85 % ~ 106.4 %，日内精密度为1.22 ~ 5.49 %，日内精密度为1.94 ~ 12.5 %。应用UPC2-APCI-MS/MS联合MAS和UAE成功地测定了实际样品中的FSVs，证明了该方法是一种快速有效的婴儿配方奶粉质量控制方法。

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引用次数: 0