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A combination of automatic untargeted metabolic profiling analysis with targeted metabolomics to enhance geographical discrimination of Goji berry. 自动非靶向代谢分析与靶向代谢组学相结合,增强枸杞的地理识别。
IF 8.2 1区 农林科学 Q1 CHEMISTRY, APPLIED Pub Date : 2026-01-16 eCollection Date: 2026-01-01 DOI: 10.1016/j.fochx.2026.103549
Long-He Wang, Yan-Jin Wen, Wen-Xin Wang, Meng Zhai, Shu-Fang Li, Qing-Xia Zheng, Ping-Ping Liu, Yao Zhang, Yi Lv, Hui-Na Zhou, Yong-Jie Yu

The quality variation of Goji berry across cultivated zones leaded to an urgent requirement of geographical discrimination. Classical untargeted to targeted strategy faced with the problem of reducing prediction capability. Here, a new untargeted to targeted transition strategy was proposed. At first, the AntDAS-GCMS was used for automatically resolving compounds in untargeted metabolic profiling data to initialize a biomarker set. Compounds with similar chemical structures and/or homologous metabolic pathways were introduced to enhance the coverage of biomarker set, which were used to construct an MRM-based targeted metabolomics method. Quantitative analysis revealed that, proline was dramatically higher in Gansu (252.31 ± 310.68 μg/g) than Ningxia (1.85 ± 4.56 μg/g) and Xinjiang (0.08 ± 0.18 μg/g); cellobiose showed 4.2-fold higher concentration in Xinjiang (84.32 ± 28.54 μg/g) than Ningxia (20.32 ± 3.90 μg/g); glucose was increased in Ningxia (5255.56 ± 425.48 μg/g). The developed strategy achieved >96% prediction accuracy for Goji berries from different zones, outperforming classical untargeted-to-targeted approaches (>91%).

枸杞在不同栽培区域的品质差异导致了地理鉴别的迫切需要。经典的无目标转目标策略面临着预测能力降低的问题。在此,提出了一种新的无目标到有目标的过渡策略。首先,AntDAS-GCMS用于自动解析非靶向代谢分析数据中的化合物,以初始化生物标志物集。引入具有相似化学结构和/或同源代谢途径的化合物以提高生物标志物集的覆盖率,用于构建基于mrm的靶向代谢组学方法。定量分析显示,甘肃的脯氨酸含量(252.31±310.68 μg)显著高于宁夏(1.85±4.56 μg)和新疆(0.08±0.18 μg);新疆地区纤维二糖浓度(84.32±28.54 μg)是宁夏地区(20.32±3.90 μg)的4.2倍;宁夏血糖升高(5255.56±425.48 μg/g)。所开发的策略对不同区域的枸杞的预测准确率达到了bb0 96%,优于经典的非靶向到靶向方法(bb1 91%)。
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引用次数: 0
Unveiling the correlations between benzoic acid content, key microbial genera, and metabolites during the storage and transportation of raw yak milk based on multi-omics analysis. 基于多组学分析揭示原料牦牛乳储运过程中苯甲酸含量、关键微生物属和代谢物的相关性。
IF 8.2 1区 农林科学 Q1 CHEMISTRY, APPLIED Pub Date : 2026-01-16 eCollection Date: 2026-01-01 DOI: 10.1016/j.fochx.2026.103556
Yantao Guo, Yixuan Zhang, Ruiyun Wang, Yiheng Li, Longlin Wang, Chengrui Shi, Xinyun Yu, Jinxiu Ma, Weibing Zhang, Pengjie Wang, Pengcheng Wen

Unique transport conditions in Tibetan regions delay the storage of yak milk, particularly during the July-August peak production period at 18 °C, promoting microbial activity and benzoic acid accumulation. This substantially heightens food safety risks associated with consumption. This study used 16S high-throughput sequencing and non-targeted metabolomics to examine the association between benzoic acid content, dominant bacterial genera, and key metabolites. At 0 h of storage (G0), the dominant genera in yak milk were Kaistella, Lactococcus, and Streptococcus. As storage extended to 12 h (G12) and 24 h (G24), Lactococcus emerged as the dominant genus and the key lactic acid bacterium producing endogenous benzoic acid. Metabolomics identified 729 differentially expressed metabolites. Amino acid metabolism is the primary enriched pathway. Myosmine, L-Methionine, L-Phenylalanine, 3-Isochromanone, and Indoline showed strong correlations with Lactococcus. This study provides a theoretical foundation for improving quality control and safety in yak milk production.

藏族地区独特的运输条件推迟了牦牛奶的储存时间,特别是在7 - 8月的18°C生产高峰期,促进了微生物活动和苯甲酸的积累。这大大增加了与消费相关的食品安全风险。本研究采用16S高通量测序和非靶向代谢组学技术检测了苯甲酸含量、优势菌属和关键代谢物之间的关系。贮藏0 h (G0)时,牦牛乳中的优势菌属为乳球菌、乳球菌和链球菌。随着贮藏时间延长至12 h (G12)和24 h (G24),乳球菌成为优势属和产生内源性苯甲酸的关键乳酸菌。代谢组学鉴定出729种差异表达的代谢物。氨基酸代谢是主要的富集途径。肌氨酸、l -蛋氨酸、l -苯丙氨酸、3-异色罗曼酮和吲哚啉与乳球菌有较强的相关性。本研究为提高牦牛奶的质量控制和安全生产提供了理论依据。
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引用次数: 0
Impact of bile salts, biopolymer coatings, and food matrix on bilosome-mediated delivery of trans-resveratrol 胆盐、生物聚合物涂层和食物基质对二体介导的反式白藜芦醇递送的影响
IF 8.2 1区 农林科学 Q1 CHEMISTRY, APPLIED Pub Date : 2026-01-16 DOI: 10.1016/j.fochx.2026.103547
Aygul Can , Taskeen Niaz , Arwen I.I. Tyler , Alan R. Mackie
This study compared liposomes, bilosomes, and biopolymer-coated bilosomes for trans-resveratrol (t-res) delivery, evaluating the effects of bile salts, biopolymer coatings, and oat milk (OM) on digestion behaviour, bioaccessibility, and intestinal absorption. The bioaccessibility of t-res increased by 1.82-fold with liposomes and by 2.14–2.32-fold with bilosomes. Ex vivo absorption studies using murine intestinal tissue confirmed enhanced uptake and tissue accumulation with bilosomes, reaching 16.801 μM compared to 0.400 μM for liposomes. Coating bilosomes with chitosan (CH) and polygalacturonic acid (PGA) improved stability and surface properties but reduced bioaccessibility to 8–40%, depending on biopolymer concentration. The OM influenced both initial and digestion-related properties, enhancing bioaccessibility in uncoated systems while reducing intestinal tissue accumulation of t-res. Overall, these findings indicate that bilosomes outperform liposomes for hydrophobic compound delivery; however, their performance is highly formulation-dependent and strongly influenced by food matrix interactions, underscoring the importance of consumption context in functional food design.
本研究比较了脂质体、胆汁酸脂质体和生物聚合物包被胆汁酸脂质体对反式白藜芦醇(t-res)的递送,评估了胆盐、生物聚合物包被和燕麦乳(OM)对消化行为、生物可及性和肠道吸收的影响。t-res与脂质体的生物可及性提高1.82倍,与脂质体的生物可及性提高2.14 ~ 2.32倍。小鼠肠道组织的体外吸收研究证实,脂质体的吸收和组织积累增强,达到16.801 μM,而脂质体的吸收和组织积累达到0.400 μM。壳聚糖(CH)和聚半乳糖醛酸(PGA)包覆的胆小体提高了稳定性和表面性能,但根据生物聚合物的浓度降低了8-40%的生物可及性。OM影响了初始和消化相关的特性,增强了未包被系统的生物可及性,同时减少了肠道组织中t-res的积累。总的来说,这些发现表明,在疏水化合物的递送方面,胆囊体优于脂质体;然而,它们的性能高度依赖于配方,并受到食物基质相互作用的强烈影响,这强调了消费环境在功能性食品设计中的重要性。
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引用次数: 0
Screening and identification of novel anti-inflammatory peptides from sea cucumber gonads: In silico and in vitro analysis 海参性腺中新型抗炎肽的筛选与鉴定:计算机和体外分析
IF 8.2 1区 农林科学 Q1 CHEMISTRY, APPLIED Pub Date : 2026-01-16 DOI: 10.1016/j.fochx.2026.103510
Zhiqin Zhang , Yongke Deng , Jingxuan Wang , Peipei Dou , Hongbing Fan , Xiangquan Zeng , Xinguang Fan , Haimei Liu , Qin Zhao
This study identified three novel anti-inflammatory peptides from sea cucumber gonad hydrolysates: GDRGF, FDGPEGPRGPPGSEGRQG, and PSNLGTGLR. In vitro experiments demonstrated that these peptides, at concentrations ranging from 25 to 400 μg/mL, exhibited no cytotoxicity toward RAW264.7 macrophages and significantly promoted cell proliferation (P < 0.05). In an lipopolysaccharide (LPS)-induced inflammation model, all three peptides markedly suppressed the secretion of nitric oxide (NO) and pro-inflammatory cytokines (P < 0.05), with GDRGF exhibiting the highest NO inhibition rate of 62.89%. Molecular docking results confirmed that the three peptides interact with Toll-like receptors 2 and 4 receptors via hydrogen bonding and hydrophobic interactions. Analysis of key residues suggested that internal or C-terminal arginine (R) may enhance anti-inflammatory activity by inhibiting NO production and blocking LPS signaling pathways. This study provides an efficient screening strategy for marine-derived anti-inflammatory peptides and lays a theoretical foundation for developing anti-inflammatory functional foods from sea cucumber gonads.
本研究从海参性腺水解物中鉴定出三种新型抗炎肽:GDRGF、FDGPEGPRGPPGSEGRQG和PSNLGTGLR。体外实验表明,在25 ~ 400 μg/mL浓度范围内,这些肽对RAW264.7巨噬细胞无细胞毒性,并显著促进细胞增殖(P < 0.05)。在脂多糖(LPS)诱导的炎症模型中,3种多肽均能显著抑制一氧化氮(NO)和促炎细胞因子的分泌(P < 0.05),其中GDRGF对NO的抑制率最高,为62.89%。分子对接结果证实,这3种肽通过氢键和疏水相互作用与toll样受体2和toll样受体4相互作用。关键残基分析表明,内部或c端精氨酸(R)可能通过抑制NO生成和阻断LPS信号通路来增强抗炎活性。本研究为海参性腺抗炎肽的筛选提供了有效的策略,为开发海参性腺抗炎功能食品奠定了理论基础。
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引用次数: 0
Metabolomic analysis of quality improvement through refiring in Fenghuang Dancong tea 凤凰丹丛茶复烧提高品质的代谢组学分析
IF 8.2 1区 农林科学 Q1 CHEMISTRY, APPLIED Pub Date : 2026-01-16 DOI: 10.1016/j.fochx.2025.103469
Mo Ding , Shanshan Meng , Lei Hu , Hongyan Wang , Jianjian Huang , Fengnian Wu , Zhengchao Yu , Jean W.H. Yong , Hui Zhu , Zhong Hu
Processing techniques determine the quality of tea. This study elucidates the impact of refiring process on Fenghuang Dancong Tea (FDT) under controlled experimental conditions by integrating sensory evaluation, non-targeted metabolomics (UPLC-MS/MS), and flavoromics (HS-SPME-GC × GC-TOF-MS). The results indicate that the decrease in polyphenols of the FDT mainly resulted from their transformation through the phenylpropanoid biosynthesis pathway during refiring, thereby reducing the bitterness and astringency of the tea while enhancing its sweetness. Although volatile diversity decreased with higher temperatures, the content of key aroma-contributing hydrocarbons and ketones peaked at 90 °C. Relative odor activity value (ROAV) analysis identified 9 key aroma compounds (ROAV ≥1), with 2-methyl-butanal, (E)-2-nonenal, 2-pentyl-furan, and 2,3-butanedione being the most impactful. This study provided a comprehensive investigation into metabolite changes during the refiring process of FDT, contributing valuable insights for precisely utilizing the refiring technique to improve the quality of tea.
加工工艺决定茶叶的品质。本研究综合感官评价、非靶向代谢组学(UPLC-MS/MS)和风味组学(HS-SPME-GC × GC-TOF-MS)研究了在可控实验条件下,再烧工艺对凤凰丹参茶(FDT)的影响。结果表明,FDT中多酚的减少主要是由于其在复烧过程中通过苯丙素生物合成途径转化,从而减轻了茶的苦味和涩味,同时增强了茶的甜度。挥发性多样性随温度升高而降低,但主要芳烃和酮类的含量在90℃时达到峰值。相对气味活性值(ROAV)分析确定了9个关键香气化合物(ROAV≥1),其中2-甲基丁醛、(E)-2-壬烯醛、2-戊基呋喃和2,3-丁二酮的影响最大。本研究对FDT复烧过程中代谢物的变化进行了全面的研究,为精确利用复烧技术提高茶叶品质提供了有价值的见解。
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引用次数: 0
Operational parameters and key characteristics of amino acids and flavor compounds profiles of bovine bone clear and white broths. 牛骨清汤和牛骨白汤的操作参数及氨基酸和风味化合物特征。
IF 8.2 1区 农林科学 Q1 CHEMISTRY, APPLIED Pub Date : 2026-01-16 eCollection Date: 2026-01-01 DOI: 10.1016/j.fochx.2026.103553
Qingyang Zhang, Meiyu Zheng, Zhen Lu, Kangyu Zhao, Shu Wang, Bin Li, Zhigang Hu, Sihong Zhang, Dongping He, Fenfen Lei, Li Zhou

Emulsification was found to enhance the nutritional value and flavor of bovine bone broth, although the specific processing conditions and their impact on amino acid profiles and flavor compounds remained unclear. To address this knowledge gap, this study identified critical parameters for producing clear broth (simmering time of 4 h, temperature of 115 °C, bone size of 4.0 cm, and liquid-to-solid ratio of 1:4) and established optimal conditions for white broth (a shear rate of 5000 r/min, emulsification pressure of 18 kPa, temperature of 50 °C, and duration of 90.0 min). Analysis identified 17 amino acids in both broths, while volatile compound profiling revealed 57 and 64 distinct compounds in the clear and white broths, respectively. The findings provide a theoretical foundation for the high-value utilization of bovine bones.

乳化剂可以提高牛骨汤的营养价值和风味,但具体的加工条件及其对氨基酸谱和风味化合物的影响尚不清楚。为了解决这一知识差距,本研究确定了生产清肉汤的关键参数(炖4小时,温度115℃,骨尺寸4.0 cm,液固比1:4),并确定了生产白肉汤的最佳条件(剪切速率5000 r/min,乳化压力18 kPa,温度50℃,持续时间90.0 min)。分析发现,两种肉汤中都含有17种氨基酸,而挥发性化合物分析显示,透明肉汤和白色肉汤中分别含有57种和64种不同的化合物。研究结果为牛骨的高价值利用提供了理论基础。
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引用次数: 0
Optimization of processing technology and analysis of aroma components of osmanthus black tea using summer and autumn tea leaves. 夏、秋叶桂花红茶加工工艺优化及香气成分分析。
IF 8.2 1区 农林科学 Q1 CHEMISTRY, APPLIED Pub Date : 2026-01-15 eCollection Date: 2026-01-01 DOI: 10.1016/j.fochx.2026.103511
Haomu Liao, Xiaoyue Song, Yuqin Xiong, Chunhua Ma, Hetong Lin

Tea is mainly produced with spring tea leaves. Summer and autumn tea leaves, characterized by a bitter and astringent taste, are usually discarded. Here, they were turned into osmanthus black tea, and the processing technology was optimized. Optimum process: the ratio of osmanthus to tea was 1:5.3, 16.6 h scenting, two cycles, the highest sensory score was 92.2. E-nose showed significant differences in response values among the W5S, W1W, and W2S sensors. Samples 6, 9, 11, and 12 exhibited high response values across multiple sensors. GC-MS was used to analyze volatile components in osmanthus black tea and the black tea base. A total of 259 volatile components were identified, and 14 key aroma-active compounds were screened, including β-ionone, γ-dodecalactone, γ-decalactone, phenylethanol, and linalool.

茶叶主要是用春茶叶生产的。夏秋两季的茶叶口感苦涩,通常被丢弃。在此,将其加工成桂花红茶,并对加工工艺进行了优化。最佳工艺:桂花与茶的比例为1:5.3,制香16.6 h, 2个周期,最高感官评分为92.2分。电子鼻在W5S、W1W和W2S传感器之间的响应值存在显著差异。样品6、9、11和12在多个传感器上表现出高响应值。采用气相色谱-质谱法对桂花红茶和红茶碱中的挥发性成分进行了分析。共鉴定出259种挥发性成分,筛选出14种关键芳香活性化合物,包括β-离子酮、γ-十二内酯、γ-十内酯、苯乙醇和芳樟醇。
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引用次数: 0
Enhancing garlic-clove shaped gel properties of mandarin fish (Siniperca chuatsi) myofibrillar protein with prickly ash extracts: Underlying roles of polyphenols. 花椒提取物增强鳜鱼肌纤维蛋白的大蒜-丁香状凝胶特性:多酚的潜在作用。
IF 8.2 1区 农林科学 Q1 CHEMISTRY, APPLIED Pub Date : 2026-01-14 eCollection Date: 2026-01-01 DOI: 10.1016/j.fochx.2026.103542
Wanmei Li, Yingqin Zhou, Haiqiu Wei, Kexin Xiong, Yan Yan, Jingjing Huang, Ningning Xie

The potential role of prickly ash extracts (PAEs) in enhancing garlic-clove shaped protein gel (GSPG)-forming capacity of mandarin fish (Siniperca chuatsi) myofibrillar protein (MP) was studied. PAEs with 0%, 20%, 60%, and 100% ethanol were utilized to systematically analyze changes in the physicochemical properties, water retention, chemical forces, and protein structure of GSPG. Results demonstrated that PAE60 (38.09 mg gallic acid equivalent/g) significantly improved gel strength and water-holding capacity compared to the control (P < 0.05). The immobilized water (23.04% decrease of relaxation time), hydrogen bonds (56.74% increase), disulfide bonds (174.31% increase), and β-sheet (49.42% increase) became significantly better than the control (P < 0.05). The gel microstructure had more orderly and compact networks with relatively increases of fractal dimension (1.83%), porosity (22.32%), and number of pores (23.66%) with statistical significances (P < 0.05). The findings could lay a theoretical groundwork for improving garlic-clove shaped fish protein with plant polyphenols.

研究了花椒提取物(PAEs)增强鳜鱼肌纤维蛋白(MP)形成大蒜-丁香状蛋白凝胶(GSPG)能力的潜在作用。利用添加0%、20%、60%和100%乙醇的PAEs,系统分析了GSPG的理化性质、保水性、化学力和蛋白质结构的变化。结果表明,PAE60 (38.09 mg没食子酸当量/g)显著提高了凝胶强度和持水能力,较对照(P β-sheet)(提高49.42%)显著优于对照(P β-sheet)
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引用次数: 0
Interpretable machine learning for yak milk feeding pattern discrimination: Integrating XGBoost with multidimensional explainability analysis. 基于可解释机器学习的牦牛奶喂养模式识别:结合XGBoost和多维可解释性分析。
IF 8.2 1区 农林科学 Q1 CHEMISTRY, APPLIED Pub Date : 2026-01-14 eCollection Date: 2026-01-01 DOI: 10.1016/j.fochx.2026.103541
Bo Hu, Lu Sun, Haiyue Wu, Rong Hu, Zhongxin Yan

Accurately identifying grazing (GZ) and supplementary feeding (SF) patterns in yak milk is important for product authentication; however, current methodologies are often expensive and time consuming. In this study, we examined 523 milk samples of lactating yaks at four stages of SF and tested 21 machine learning algorithms to develop a rapid and cost-effective classification method using routine compositional parameters. Ensemble learning techniques performed better than others, with XGBoost having the best accuracy (92%) and AUC (0.94). Multidimensional interpretability analyses, including SHAP, PDP, and ICE, identified fat content (27.8%) and lactose (23.1%) as the most important discriminators, along with biologically meaningful interactions, such as between fat, lactose, and freezing point. This interpretable framework provides a practical, low-cost method for milk authentication of yaks using ordinary dairy analyzers, providing a methodological foundation for the establishment of standardized GZ certification systems in milk production from yaks.

准确识别牦牛乳的放牧模式和补饲模式对产品鉴定具有重要意义;然而,当前的方法通常是昂贵和耗时的。在这项研究中,我们检测了523份处于乳牛期4个阶段的乳汁样本,并测试了21种机器学习算法,以建立一种基于常规成分参数的快速、经济的分类方法。集成学习技术的表现优于其他技术,其中XGBoost具有最佳的准确率(92%)和AUC(0.94)。包括SHAP、PDP和ICE在内的多维可解释性分析发现,脂肪含量(27.8%)和乳糖含量(23.1%)是最重要的判别因素,此外还有脂肪、乳糖和冰点之间有生物学意义的相互作用。该可解释性框架提供了一种实用、低成本的普通乳品分析仪对牦牛产奶进行认证的方法,为牦牛产奶标准化GZ认证体系的建立提供了方法学基础。
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引用次数: 0
Metabolic and oxidative mechanisms underlying flavor differences in yak meat across seasonal grazing-housing regimes: Evidence from integrated foodomics. 牦牛肉的代谢和氧化机制在季节性放牧和住房制度下的风味差异:来自综合食物组学的证据。
IF 8.2 1区 农林科学 Q1 CHEMISTRY, APPLIED Pub Date : 2026-01-14 eCollection Date: 2026-01-01 DOI: 10.1016/j.fochx.2026.103539
Zhengwen Wang, Shangli Shi, Haitao Yu, Yuzhu Sha, Chao He, Rong Dai, Xiayan Zhou, Yajun Bai, Wenxia Cao

This study investigated the flavor differences among summer pasture-grazed (SM), winter pasture-grazed (WM) and winter stall-fed (HM) yaks using metabolomics, lipidomics and headspace-solid-phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC-MS). The SM group showed n-3 polyunsaturated fatty acids (n-3 PUFAs) were 225% and 209% higher than those in the WM and HM groups, respectively, with higher thiobarbituric acid reactive substances (TBARS) and antioxidant enzyme activities. These changes promoted the formation of (E)-2-decenal and 1-octen-3-ol, which impart green and floral aromas. Conversely, the HM group's high-energy diet increased monounsaturated fatty acids and essential amino acids (EAAs). This promoted the production of Maillard-derived furfural and maintained the oxidative-antioxidant balance, preserving nutty and tallowy flavors. The WM group exhibited off-flavors due to oxidative imbalance, lower PUFAs content, and benzaldehyde accumulation. Overall, feeding regimes shape yak flavor by modulating fatty acid and amino acid compositions and the oxidative-antioxidant balance. This study provides a scientific basis for precision nutrition strategies to optimize flavor in yaks.

本研究采用代谢组学、脂质组学和顶空-固相微萃取-气相色谱-质谱联用技术(HS-SPME-GC-MS)对夏季放牧牦牛(SM)、冬季放牧牦牛(WM)和冬季畜舍饲养牦牛的风味差异进行了研究。SM组n-3多不饱和脂肪酸(n-3 PUFAs)含量分别比WM组和HM组高225%和209%,硫代巴比妥酸活性物质(TBARS)和抗氧化酶活性也较高。这些变化促进了(E)-2-癸烯醛和1-辛烯-3-醇的形成,赋予绿色和花香。相反,HM组的高能量饮食增加了单不饱和脂肪酸和必需氨基酸(EAAs)。这促进了美拉德衍生糠醛的产生,保持了氧化-抗氧化平衡,保留了坚果和油脂的风味。WM组由于氧化失衡、pufa含量降低和苯甲醛积累而表现出异味。总的来说,饲喂方式通过调节脂肪酸和氨基酸组成以及氧化-抗氧化平衡来塑造牦牛风味。本研究为优化牦牛风味的精准营养策略提供了科学依据。
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引用次数: 0
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Food Chemistry: X
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