Journal of Food Composition and Analysis最新文献_第9页

Pesticide residue levels in strawberries and human health risk assessment 草莓中的农药残留量和人类健康风险评估

IF 4 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis

Pub Date : 2024-11-06 DOI: 10.1016/j.jfca.2024.106943

Mehmet Keklik , Eylem Odabas , Ozgur Golge , Bulent Kabak

Pesticides have been a primary tool in pest management worldwide. However, pesticide contamination is a major food safety risk in the fresh food supply chain. This study aims to monitor 240 pesticide residues in 245 strawberry samples and assess the health risk for Turkish adult and child consumer groups. Over three consecutive harvest years (2021–2023), strawberries were collected from farmers in the Aydın region of Turkey and analysed by liquid chromatography-tandem mass spectrometry (LC-MS/MS). Out of the 245 strawberry samples analysed, 61.6 % contained 32 different pesticides (17 fungicides and 15 insecticides), five of which were non-approved. Additionally, 6.5 % of the strawberry samples exceeded the European Union Maximum Residue Limits (MRLs). Multiple residues were recorded in 42.9 % of strawberry samples. Pyrimethanil was the most commonly identified pesticide (30.2 %), followed by boscalid (27.4 %), fluopyram (17.1 %), and bifenazate (15.1 %). In the worst-case scenario, cumulative exposure to pesticides through strawberry consumption was determined to be 6.5 × 10⁻⁵ mg kg⁻¹ b.w. day⁻¹ for adults and 2.0 × 10⁻⁴ mg kg⁻¹ b.w. day⁻¹ for children. The hazard index (HI) values, under the worst-case scenario, were calculated to be 0.32 % for adults and 0.97 % for children. These results indicate that there is no cause for concern regarding cumulative exposure to residues through strawberry consumption for the Turkish population.

农药一直是全球虫害管理的主要工具。然而，农药污染是新鲜食品供应链中的一个主要食品安全风险。本研究旨在监测 245 个草莓样本中的 240 种农药残留，并评估土耳其成人和儿童消费群体的健康风险。在连续三个收获年度（2021-2023 年），研究人员从土耳其艾登地区的农户处采集草莓样品，并采用液相色谱-串联质谱法（LC-MS/MS）进行分析。在分析的 245 份草莓样品中，61.6% 含有 32 种不同的农药（17 种杀菌剂和 15 种杀虫剂），其中 5 种未经批准。此外，6.5%的草莓样品超过了欧盟最高残留限量（MRL）。42.9%的草莓样品中出现了多重残留。嘧菌酯是最常见的农药（30.2%），其次是啶虫脒（27.4%）、氟虫氨（17.1%）和联苯胺（15.1%）。在最坏的情况下，成人和儿童通过食用草莓累积接触农药的比例分别为 6.5 × 10-⁵ mg kg-¹ b.w. day-¹ 和 2.0 × 10-⁴ mg kg-¹ b.w. day-¹ 。根据最坏情况下的危害指数（HI）值计算，成人为 0.32%，儿童为 0.97%。这些结果表明，没有理由担心土耳其人因食用草莓而累积接触残留物。

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引用次数: 0

Effect of various culinary treatments on the glycoalkaloid content of potato peel 各种烹饪处理对马铃薯皮中糖醛酸含量的影响

IF 4 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis

Pub Date : 2024-11-06 DOI: 10.1016/j.jfca.2024.106937

Isabel Martínez-García , Damián Pérez-Quintanilla , Sonia Morante-Zarcero , Isabel Sierra

Potatoes are one of the most consumed foods worldwide. During germination, glycoalkaloids (GAs) with potential bioactive properties are produced, which, at high concentrations, may have adverse health effects. Potato peels, a byproduct generated in large quantities but increasingly used in contemporary cuisine, contain significant levels of these GAs. This paper examines GA levels in potato peels after various culinary treatments (boiling, steaming, baking, air frying, conventional deep frying, and double frying) to provide new data and ensure food safety. An optimized extraction method using ultrasound-assisted extraction (UAE) was employed, followed by purification with mesostructured SBA-15 silica functionalized with octadecylsilane (C18) chains as sorbent in solid-phase extraction, prior to HPLC-DAD determination of α-solanine and α-chaconine levels in the samples. The method was validated, obtaining excellent recovery values (88 – 96 %) and low detection and quantification limits (0.3 and 1 mg/L, respectively). Upon application of the validated analytical method to the samples culinarily treated using the most common cooking techniques (boiling, steaming, baking, air frying, conventional deep frying, and double frying) at various times and temperatures, the obtained results demonstrated significant reductions (between 52 % and 84 %) in GAs content in the treated potato peels, compared to fresh samples. Statically significant degradation of these compounds was observed through baking at elevated times and temperatures (74 – 84 %), as well as both conventional deep frying and double frying (76 – 83 %).

马铃薯是全世界消费量最大的食品之一。马铃薯在发芽过程中会产生具有潜在生物活性的糖类生物碱（GAs），如果浓度过高，可能会对健康产生不利影响。马铃薯皮是大量产生的副产品，但越来越多地用于现代烹饪，其中含有大量此类 GA。本文研究了经过各种烹饪处理（煮、蒸、烤、空气油炸、传统油炸和双重油炸）后马铃薯皮中的 GA 含量，以提供新的数据并确保食品安全。采用超声辅助萃取（UAE）优化了萃取方法，然后在固相萃取中使用十八烷基硅烷（C18）链功能化的介观结构 SBA-15 硅胶作为吸附剂进行净化，最后用 HPLC-DAD 测定样品中的α-索拉宁和α-乌头碱含量。该方法经过验证，回收率极高（88 - 96 %），检出限和定量限较低（分别为 0.3 mg/L 和 1 mg/L）。对使用最常见的烹饪技术（煮、蒸、烤、空气油炸、传统油炸和双重油炸）在不同时间和温度下进行烹饪处理的样品应用经过验证的分析方法，结果表明与新鲜样品相比，经过处理的马铃薯皮中的 GAs 含量显著降低（52 % 到 84 %）。在高温烘烤（74 - 84 %）以及传统油炸和双层油炸（76 - 83 %）的情况下，这些化合物都出现了明显的降解。

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引用次数: 0

Determination of residual behavior of two fungicides in/on tomato and cucumber and their dietary intake risk assessment under open field conditions 确定两种杀菌剂在番茄和黄瓜上的残留特性，以及在露地条件下对其膳食摄入风险的评估

IF 4 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis

Pub Date : 2024-11-06 DOI: 10.1016/j.jfca.2024.106939

Sapna Katna, Tanuja Banshtu, Arvind Kumar , Nisha Devi, Shubhra Singh, Isha Sharma, Sakshi Sharma

A commercial formulation of fluoxapiprolin (30 g/L) and fluopicolide (200 g/L) as a suspension concentrate (SC) is under registration for its use on tomato and cucumber in India. Both of these active ingredients are fungicides used to control a variety of fungal diseases in crops. The field trials were laid out in an open field at the experimental farm of the university following good agricultural practice (GAP) during the summer of 2021. The study aimed to estimate pesticide residues using a modified QuEChERS method in combination with advanced analytical techniques like liquid chromatography-tandem mass spectrometry (LC-MS/MS) and gas chromatography with an electron capture detector (GC-ECD). The method showed excellent linearity (R² > 0.99) for fluoxapiprolin, fluopicolide and their metabolites in tomato, cucumber, and soil. The half-life value for fluoxapiprolin ranged between 5.86 and 7.05 days and for fluopicolide the half-life was between 1.62 and 1.98 days for tomato and cucumber, respectively. The recoveries ranged between 80 % and 120 % with a relative standard deviation <20 % for all the analytes. The dietary risk assessment was determined by using the hazard quotient and the HQs values were <1, proving its safety to the consumer.

在印度，氟氧吡咯林（30 克/升）和氟啶酰菌胺（200 克/升）悬浮浓缩液（SC）的商业制剂正在注册中，用于番茄和黄瓜。这两种活性成分都是杀真菌剂，用于控制作物的多种真菌疾病。2021 年夏季，在该大学实验农场的一块空地上，按照良好农业规范（GAP）进行了田间试验。研究旨在采用改良的 QuEChERS 方法，结合液相色谱-串联质谱（LC-MS/MS）和气相色谱-电子捕获检测器（GC-ECD）等先进分析技术，估算农药残留量。该方法对番茄、黄瓜和土壤中的氟唑磷和氟啶酰菌胺及其代谢物具有良好的线性关系（R² > 0.99）。在番茄和黄瓜中，氟沙匹罗林的半衰期介于 5.86 天和 7.05 天之间，氟啶酰菌胺的半衰期介于 1.62 天和 1.98 天之间。所有分析物的回收率在 80% 到 120% 之间，相对标准偏差为 20%。膳食风险评估是通过危险商数来确定的，HQs 值为 1，证明对消费者是安全的。

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引用次数: 0

NIR spectroscopy prediction model for capsaicin content estimation in chilli: A rapid mining tool for trait-specific germplasm screening 用于辣椒辣椒素含量估算的近红外光谱预测模型：用于特异性种质筛选的快速挖掘工具

IF 4 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis

Pub Date : 2024-11-06 DOI: 10.1016/j.jfca.2024.106915

Deepika D.D. , Vedprakash Sharma , Manisha Mangal , Arpita Srivastava , Chithra Pandey , Himani Mehta , G.J. Abhishek , Racheal John , Hemlata Bharti , Rakesh Bharadwaj , R.K. Gautam , J.C. Rana , Gyanendra Pratap Singh , Vinod K. Sharma

Chilli is a widely produced crop, highly valued for its capsaicin content, a key economic trait. Traditional wet chemistry methods for estimating capsaicin are time-taking and laborious, while non-destructive methods like NIRS coupled with chemometrics, offer efficient alternatives, simplifying and accelerating biochemical assessments. This study is the first to develop and validate and tested for applicability of NIRS-based prediction model for capsaicin content in Indian chilli germplasm using MPLS regression. Various mathematical treatments were performed, and the most suited model was selected based on high RSQ_external, RPD and lower SEP values in the external validation set, indicating strong prediction accuracy and minimal error. The model achieved high RSQ_external value of 0.808, RPD value of 2.088 and low SEP value of 3.415 for capsaicin content, demonstrating excellent prediction performance. A paired sample t-test p-value of 0.757 (p > 0.05) showed non-significant difference between wet lab and predicted values, confirming the model’s accuracy. The applicability of the model was validated on fresh harvest germplasm the following year, showing a higher reliability score of 0.949, further confirming model’s reliability. This model would aid in high-throughput, accurate screening of chilli germplasm for capsaicin, accelerating chilli crop improvement programs and the development of new high-capsaicin varieties.

辣椒是一种广泛生产的作物，其辣椒素含量是一项重要的经济特征，具有很高的价值。估算辣椒素的传统湿化学方法费时费力，而近红外光谱等非破坏性方法与化学计量学相结合，提供了高效的替代方法，简化并加速了生化评估。本研究首次开发并验证了基于近红外光谱的辣椒素含量预测模型，并使用 MPLS 回归法测试了该模型在印度辣椒种质中的适用性。研究人员进行了多种数学处理，并根据外部验证集中较高的 RSQexternal 值、RPD 值和较低的 SEP 值选出了最合适的模型，这表明该模型具有较高的预测准确性，误差极小。该模型在辣椒素含量方面的 RSQexternal 值高达 0.808，RPD 值达 2.088，SEP 值低达 3.415，显示出卓越的预测性能。配对样本 t 检验的 p 值为 0.757（p > 0.05），表明湿实验室值和预测值之间的差异不显著，从而证实了该模型的准确性。次年，该模型的适用性在新收获的种质上进行了验证，显示出更高的可靠性得分 0.949，进一步证实了模型的可靠性。该模型有助于对辣椒种质进行高通量、准确的辣椒素筛选，加快辣椒作物改良计划和高辣椒素新品种的开发。

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引用次数: 0

An adsorbent of molecularly imprinted polymer incorporating graphene quantum dots to extract and determine bisphenols in soft drinks and milk 含有石墨烯量子点的分子印迹聚合物吸附剂，用于提取和测定软饮料和牛奶中的双酚

IF 4 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis

Pub Date : 2024-11-06 DOI: 10.1016/j.jfca.2024.106938

Sirintorn Jullakan , Sarawut Khongkla , Opas Bunkoed

A highly selective magnetic composite adsorbent composed of graphene quantum dots (GQDs) and molecularly imprinted polymer (MIP) was fabricated and applied for the extraction and quantification of three bisphenols in soft drink and milk samples. Magnetite nanoparticles incorporated into the MIP enabled the adsorbent to be isolated from the sample solution with a magnet. The extraction efficiency toward target bisphenols was enhanced by the selective recognition sites of the MIP layer and also the abundant adsorption sites in GQDs. In the optimum condition, the composite adsorbent coupled with high-performance liquid chromatography (HPLC) exhibited linearity in the range of 10.0–200.0 µg L⁻¹. The limit of detection was 3.0 µg L⁻¹ while the limit of quantification was 10.0 µg L⁻¹. Applied to determine bisphenols in real samples, the proposed method achieved relative recoveries from 84.3 % to 94.9 % with relative standard deviations (RSDs) of less than 7 %. The proposed method is simple, rapid, efficient and accurate. The adsorbent can be reused for up to four extraction and desorption cycles, thus reducing the cost of analysis.

制备了一种由石墨烯量子点（GQDs）和分子印迹聚合物（MIP）组成的高选择性磁性复合吸附剂，并将其应用于软饮料和牛奶样品中三种双酚的萃取和定量分析。分子印迹聚合物（MIP）中加入了磁铁矿纳米颗粒，可利用磁铁将吸附剂从样品溶液中分离出来。MIP 层的选择性识别位点和 GQDs 中丰富的吸附位点提高了对目标双酚的萃取效率。在最佳条件下，复合吸附剂与高效液相色谱（HPLC）的线性范围为 10.0-200.0 µg L-1。检测限为 3.0 µg L-1，定量限为 10.0 µg L-1。将该方法用于测定实际样品中的双酚，其相对回收率为 84.3 % 至 94.9 %，相对标准偏差（RSD）小于 7 %。该方法简单、快速、高效、准确。吸附剂可重复使用，最多可进行四次萃取和解吸循环，从而降低了分析成本。

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引用次数: 0

Influence of processing factors on quality and heterocyclic amines content in roast mutton granules 加工因素对烤羊肉颗粒质量和杂环胺含量的影响

IF 4 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis

Pub Date : 2024-11-06 DOI: 10.1016/j.jfca.2024.106941

Qian Zhang , Guishan Liu , Qingqing Cao , Xiaoxue Li , Yuqin Feng , Jiajun Guo , Mei Guo

Using the best conditions of QuEChERS with superior performance, 7 kinds of HAAs were quickly extracted from roasted mutton granules. Subsequently, the effects of different roasting time, temperature and oil on quality, fatty acid, precursor substance and HAAs content of roasted mutton granules were studied. The results showed that with the increase of roasting temperature and time, the hardness, chewability, b* and L* were significantly decreased, while the a* and cohesiveness were significantly increased (P < 0.05). With the extension of roast time, creatine content first increased and then significantly decreased (P < 0.05), which was converted to creatinine. Creatine increased with the increase of processing temperature, creatinine showed an overall downward trend, and glucose content significantly decreased, and then stabilized at a lower level with the extension of roasting time. The glucose content of rapeseed oil was the highest and soybean oil was the lowest. Soybean oil samples had the highest creatine content and the corresponding creatinine content was also the lowest. HAAs also showed an increasing trend with the increase of roasting time and temperature, and five vegetable oils to some extent inhibit the formation of HAAs in actual foods (except PhIP). The maximum inhibition rates for Norharman, Harman, IQ, MeIQ, MeIQx and AαC were 12.06 %, 23.93 %, 142.13 %, 18.75 %, 16.58 % and 53.98 %, respectively.

利用性能优越的 QuEChERS 最佳条件，从烤羊肉颗粒中快速提取了 7 种 HAAs。随后，研究了不同烘烤时间、温度和油脂对烤羊肉颗粒的品质、脂肪酸、前体物质和 HAAs 含量的影响。结果表明，随着焙烧温度和时间的增加，硬度、咀嚼性、b*和L*显著降低，而a*和凝聚性显著增加（P <0.05）。随着烘烤时间的延长，肌酸含量先增加后明显降低（P <0.05），并转化为肌酐。肌酸含量随加工温度的升高而增加，肌酐含量呈总体下降趋势，葡萄糖含量明显下降，并随着焙烧时间的延长稳定在较低水平。菜籽油的葡萄糖含量最高，大豆油最低。大豆油样品的肌酸含量最高，相应的肌酐含量也最低。随着焙烧时间和温度的增加，HAAs 也呈上升趋势，五种植物油在一定程度上抑制了实际食品中 HAAs 的形成（PhIP 除外）。诺哈曼、哈曼、IQ、MeIQ、MeIQx 和 AαC 的最大抑制率分别为 12.06 %、23.93 %、142.13 %、18.75 %、16.58 % 和 53.98 %。

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引用次数: 0

Development of a simple and economical analytical method for investigating the distribution of astaxanthin E/Z-isomers in foods and cosmetics 开发一种简单经济的分析方法，用于调查虾青素 E/Z- 异构体在食品和化妆品中的分布情况

IF 4 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis

Pub Date : 2024-11-06 DOI: 10.1016/j.jfca.2024.106932

Antara Ghosh , Yasuhiro Nishida , Takashi Maoka , Chiasa Uragami , Hideki Hashimoto , Masaki Honda

Astaxanthin has many theoretical E/Z-isomers, making separation and accurate analysis challenging, especially because of their structural similarities and polarities. The present study developed a simple and cost-effective reversed-phase high-performance liquid chromatography (HPLC) method to separate major astaxanthin isomers efficiently (i.e., the all-E-, 9Z-, 13Z-, and 15Z-isomers) and assess their distribution in various foods, processed products, edible insects, and cosmetics. Various HPLC columns (C18, C30, and cholesteryl-bonded silica) and mobile phase mixtures at different column oven temperatures were examined. Our developed method, using a C18 column (C18-HPLC), successfully separated the major isomers of astaxanthin at 30 °C in isocratic mode with methanol/H₂O (92.5:7.5, v/v) within 20 min. This method also minimizes the chromatographic interference from other dietary carotenoids. Additionally, although the C30 column allowed the efficient separation of astaxanthin isomers, it required the use of highly toxic and volatile mobile phase solvents, such as methyl tert-butyl ether and dichloromethane, as well as longer run times. The optimized C18-HPLC method provided an accurate assessment of astaxanthin isomers in commercially available foods, revealing higher isomer ratios in cooked samples than in raw samples. In conclusion, the developed C18-HPLC method is a simple, efficient, cost-effective, and rapid tool for astaxanthin isomer analysis.

虾青素有许多理论上的E/Z-异构体，特别是由于它们的结构相似和极性，使得分离和准确分析具有挑战性。本研究开发了一种简单、经济高效的反相高效液相色谱（HPLC）方法，可有效分离虾青素的主要异构体（即全E、9Z、13Z和15Z异构体），并评估它们在各种食品、加工产品、食用昆虫和化妆品中的分布情况。我们研究了不同柱温下的各种高效液相色谱柱（C18、C30 和胆固醇键合硅胶）和流动相混合物。我们开发的方法采用 C18 柱（C18-HPLC），在 30 °C、甲醇/H2O（92.5:7.5, v/v）等度模式下，20 分钟内成功分离了虾青素的主要异构体。这种方法还能最大限度地减少来自其他膳食类胡萝卜素的色谱干扰。此外，虽然 C30 色谱柱可以高效分离虾青素异构体，但需要使用毒性大、易挥发的流动相溶剂，如甲基叔丁基醚和二氯甲烷，而且运行时间较长。优化后的 C18-HPLC 方法可准确评估市售食品中虾青素异构体的含量，熟制样品中的异构体比率高于生制样品。总之，所开发的 C18-HPLC 方法是一种简单、高效、经济、快速的虾青素异构体分析工具。

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引用次数: 0

Prolonging the oxidative stability of walnut oil by endogenous antioxidants: Phytosterol compounding for improved antioxidant capacity 利用内源性抗氧化剂延长核桃油的氧化稳定性：植物甾醇复合物提高抗氧化能力

IF 4 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis

Pub Date : 2024-11-05 DOI: 10.1016/j.jfca.2024.106931

Xu Zhang , Xiaoqian Zhan , Wenyu Liu , Ting Wang , Ting Zhang , Changqing Wei

Walnut oil, loaded with unsaturated fatty acids, offers significant health advantages yet is greatly vulnerable to oxidative spoilage.The investigation explored the impact of four oil extraction techniques on the inherent antioxidants, fatty acid profiles, antioxidant efficacy, and oxidation stability index (OSI) of walnut oil. The investigation utilized variance analysis coefficients and partial least squares regression analyses were conducted. It identified β-sitosterol and stigmasterol as crucial inherent antioxidant compounds. The maximal concentrations achieved through hot pressing were 943.16 mg/kg for β-sitosterol and 121.54 mg/kg for stigmasterol. Stigmasterol contribution to the DPPH radical scavenging activity was found to be 0.8224 in PLS1 (R²>0.95). Consequently, the combined effect of these antioxidants on the OSI was tested., revealing that a 2:1 ratio of these substances, under conditions of 45 ℃ ultrasound temperature and 27 minutes ultrasound duration(p<0.05), improved the OSI from 2 to 6.42.

该研究探讨了四种榨油技术对核桃油固有抗氧化剂、脂肪酸概况、抗氧化功效和氧化稳定性指数（OSI）的影响。调查利用了方差分析系数，并进行了偏最小二乘法回归分析。研究发现，β-谷甾醇和黑甾醇是重要的固有抗氧化化合物。通过热压达到的最大浓度为：β-谷甾醇为 943.16 毫克/千克，豆固醇为 121.54 毫克/千克。在 PLS1 中，豆固醇对 DPPH 自由基清除活性的贡献率为 0.8224（R2>0.95）。结果表明，在 45 ℃ 超声波温度和 27 分钟超声波持续时间条件下（p<0.05），将这些物质按 2:1 的比例混合，可将 OSI 从 2 提高到 6.42。

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引用次数: 0

Rapid sorghum variety identification by hyperspectral imaging combined with super-depth-of-field microscopy 利用高光谱成像与超景深显微镜相结合快速识别高粱品种

IF 4 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis

Pub Date : 2024-11-04 DOI: 10.1016/j.jfca.2024.106930

Xinjun Hu , Mingkui Dai , Jianheng Peng , Jiahao Zeng , Jianping Tian , Manjiao Chen

Sorghum, as the primary raw material for brewing, has varieties that are crucial to the quality and yield of the brewing process. To accurately identify and classify different sorghum varieties, a Two-Dimensional Feature Adaptive Convolution Model (DD-FACM) based on data acquired by Hyperspectral imaging (HSI) and 3D Super-Depth-of-Field Microscopy was built. The experimental results demonstrated that the DD-FACM that was built using the combined spectral data and super-depth-of-field image data achieved 100 % accuracy in the identification of 5 varieties of sorghum grains, which was 8 %, 4.2 %, and 4.1 % higher than the classification accuracies of the support vector machine (SVM) model that was built based only the spectral data, the EfficientNet_B3 model built using only the depth-of-field image data, and the DD-FACM built using the combination of the HSI(spectral and RGB image) data, respectively. To verify the effectiveness of the DD-FACM's feature extraction, the extracted features were visualized using t-distributed stochastic neighbor embedding (t-SNE). The results indicated that the DD-FACM based on the spectral data and the image data could achieve the rapid, accurate, and non-destructive identification of different sorghum varieties. This study not only provides brewing enterprises with an efficient method for sorghum variety identification but also offers technical support for variety identification research in related fields.

高粱作为酿酒的主要原料，其品种对酿酒工艺的质量和产量至关重要。为了准确识别和分类不同的高粱品种，我们建立了一个基于高光谱成像（HSI）和三维超景深显微镜数据的二维特征自适应卷积模型（DD-FACM）。实验结果表明，结合光谱数据和超景深图像数据建立的 DD-FACM 对 5 个高粱品种的识别准确率达到了 100%，比仅基于光谱数据建立的支持向量机（SVM）模型、仅基于景深图像数据建立的 EfficientNet_B3 模型和结合 HSI（光谱和 RGB 图像）数据建立的 DD-FACM 的分类准确率分别高出 8%、4.2% 和 4.1%。为了验证 DD-FACM 的特征提取效果，我们使用 t 分布随机邻域嵌入（t-SNE）对提取的特征进行了可视化处理。结果表明，基于光谱数据和图像数据的 DD-FACM 可以快速、准确、无损地识别不同的高粱品种。该研究不仅为酿酒企业提供了一种高效的高粱品种识别方法，也为相关领域的品种识别研究提供了技术支持。

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引用次数: 0

1H NMR and chemical analysis to characterize camellia oil obtained by different extraction methods: A comparative study using chemometrics 用 1H NMR 和化学分析表征不同萃取方法提取的山茶油：利用化学计量学进行比较研究

IF 4 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis

Pub Date : 2024-11-04 DOI: 10.1016/j.jfca.2024.106926

Ting Shi , Gangcheng Wu , Qingzhe Jin , Xingguo Wang

Camellia oil has become one of the most popular edible vegetable oils especially in China. It can be obtained by cold-pressing (CPE), soxhlet extraction (SE), aqueous enzymatic extraction (AEE), and supercritical carbon dioxide extraction (SC-CO₂), while research on their efficient identification is limited. Thus, in this study, proton nuclear magnetic resonance (¹H NMR) and conventional chemical analysis, respectively coupled to chemometrics, were employed to compare the camellia oils, produced by CPE, SE, AEE, and SC-CO₂. The results showed an obviously overlapping among those four different extracted camellia oils, in both principal component analysis (PCA) and hierarchical clustering analysis (HCA), when using fatty acids as input variables. While two obtained PCA models showed good discrimination, according to the minor component compositions (α-tocopherol, squalene, stigmasterol, β-sitosterol, β-amyrin and lanosterol) and ¹H NMR spectra, respectively. Additionally, by means of variable importance for the projection (VIP) scores, less 10 dominant ¹H NMR spectra signals were screened out as detailed markers for different camellia oils classification. Therefore, ¹H NMR combined with chemometrics may be applied as an efficient technique to classify different extracted camellia oils and potentially other vegetable oils.

山茶油已成为最受欢迎的食用植物油之一，尤其是在中国。山茶油可通过冷榨（CPE）、索氏提取（SE）、水酶提取（AEE）和超临界二氧化碳提取（SC-CO2）等方法获得，但对其有效鉴定的研究却很有限。因此，本研究分别采用质子核磁共振（1H NMR）和传统化学分析，并结合化学计量学，对 CPE、SE、AEE 和 SC-CO2 萃取的山茶油进行比较。结果表明，当使用脂肪酸作为输入变量时，这四种不同提取的山茶油在主成分分析（PCA）和层次聚类分析（HCA）中有明显的重叠。根据次要成分组成（α-生育酚、角鲨烯、豆甾醇、β-谷甾醇、β-羊毛甾醇和羊毛甾醇）和 1H NMR 光谱，所得到的两个 PCA 模型分别显示出良好的区分度。此外，通过投影重要性变量（VIP）评分，筛选出了少于 10 个占主导地位的 1H NMR 光谱信号，作为不同山茶油分类的详细标记。因此，1H NMR 与化学计量学相结合可作为一种有效的技术，用于对不同的山茶油及其他潜在的植物油进行分类。

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