Journal of Food Composition and Analysis最新文献_第10页

Development of a validated efficient HPLC-DAD analysis for assessing polyphenol transformation during black tea processing 建立了一种有效的HPLC-DAD分析方法来评估红茶加工过程中多酚的转化

IF 4.6 2区农林科学

Journal of Food Composition and Analysis Pub Date : 2025-09-18 DOI: 10.1016/j.jfca.2025.108330

Prishanthini Muthulingam , David G. Popovich , P.A. Nimal Punyasiri , Chandrika M. Nanayakkara , Carl H. Mesarich , Ali Rashidinejad

{"title":"Development of a validated efficient HPLC-DAD analysis for assessing polyphenol transformation during black tea processing","authors":"Prishanthini Muthulingam , David G. Popovich , P.A. Nimal Punyasiri , Chandrika M. Nanayakkara , Carl H. Mesarich , Ali Rashidinejad","doi":"10.1016/j.jfca.2025.108330","DOIUrl":"10.1016/j.jfca.2025.108330","url":null,"abstract":"<div><div>Tea (<em>Camellia sinensis</em>) is valued for its polyphenolic compounds, which define its sensory and health attributes. Accurate quantification across processing stages is hindered by analytical and extraction challenges. We developed and validated a rapid high-performance liquid chromatography with diode array detection (HPLC-DAD) method for simultaneous analysis of 12 key constituents - gallic acid, theobromine, caffeine, (+)-catechin (C), (-)-epicatechin (EC), (-)-epigallocatechin (EGC), (-)-epigallocatechin gallate (EGCG), (-)-epicatechin gallate (ECG), theaflavin (TF), theaflavin-3-gallate (TF3G), theaflavin-3′-gallate (TF3’G), theaflavin-3,3′-digallate (TF3–3’G), in green and black tea. The method achieved superior linearity (r² > 0.9995), high sensitivity (LOD: 0.03–1.68 µg/mL), strong precision (RSD < 4.68 %), and high recovery, while also resolving co-elution with a 40-min runtime. Extraction was optimized using ultrasonication with 70 % methanol, which outperformed hot water and ISO-standard methods. Applied to black tea processing, the method revealed a 79.1 % reduction in catechins, post-rolling theaflavin peaks, and dynamic fluctuations in gallic acid, caffeine, and theobromine. These changes were associated with enzymatic oxidation, leaching, and cultivar effects. The validated HPLC-DAD method provides a robust tool for tea polyphenol profiling and enables improved understanding of processing-induced transformations. It holds potential for use in quality control, nutritional labeling, and functional food research in tea and other polyphenol-rich systems.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"148 ","pages":"Article 108330"},"PeriodicalIF":4.6,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145095416","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Determination of trans-fatty acids in non-dairy foods using enhanced CZE-UV: Implications for food health assessment 使用增强CZE-UV测定非乳制品中的反式脂肪酸：对食品健康评估的意义

IF 4.6 2区农林科学

Journal of Food Composition and Analysis Pub Date : 2025-09-18 DOI: 10.1016/j.jfca.2025.108341

Marcone Augusto Leal de Oliveira , Jéssica Cordeiro Queiroz de Souza , Maria Patrícia do Nascimento , Olívia Brito de Oliveira Moreira , Patrícia Abranches Geraldo

{"title":"Determination of trans-fatty acids in non-dairy foods using enhanced CZE-UV: Implications for food health assessment","authors":"Marcone Augusto Leal de Oliveira , Jéssica Cordeiro Queiroz de Souza , Maria Patrícia do Nascimento , Olívia Brito de Oliveira Moreira , Patrícia Abranches Geraldo","doi":"10.1016/j.jfca.2025.108341","DOIUrl":"10.1016/j.jfca.2025.108341","url":null,"abstract":"<div><div>The consumption of industrial trans-fatty acids is knowingly associated with cardiovascular diseases, obesity, cholesterol increase, and other disorders, which turn into a public health issue. An initiative organized by the World Health Organization foresees the reduction of the consumption of these products worldwide. Therefore, labeling regulations, restrictions, or even prohibition of industrial trans-fat addition in foodstuffs have been defined by health regulatory agencies in several countries. In this context, a novel screening quantitative method by CZE-UV, aiming at enhancing routine analysis, is a cost-effective and viable option to determine elaidic acid as a marker for industrial trans-fatty acids. The new method combines the CZE-UV with an on-column injection program and a single-point standard addition method for quantification, which provides reliable quantitative options with less laborious laboratory steps, high throughput, and a reduction of analysis costs. In order to attend Resolution - RDC No. 632 preconized by ANVISA, about 300 samples, including vegetable oils and non-dairy foods, from different precedency, batches, and brands were successfully analyzed. The method improves upon existing methods by providing adequate results, especially where current food labeling relies on general estimations or ingredient list checks.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"148 ","pages":"Article 108341"},"PeriodicalIF":4.6,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145154202","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Quality and safety assessment of hemp-based food products: Insights into seeds, flours, and oils 以大麻为基础的食品的质量和安全评估：对种子、面粉和油的洞察

IF 4.6 2区农林科学

Journal of Food Composition and Analysis Pub Date : 2025-09-18 DOI: 10.1016/j.jfca.2025.108337

Matej Maly , Zuzana Binova , Frantisek Benes , Jana Hajslova

{"title":"Quality and safety assessment of hemp-based food products: Insights into seeds, flours, and oils","authors":"Matej Maly , Zuzana Binova , Frantisek Benes , Jana Hajslova","doi":"10.1016/j.jfca.2025.108337","DOIUrl":"10.1016/j.jfca.2025.108337","url":null,"abstract":"<div><div>The demand for hemp-derived food products, including oils, seeds, and flours, is growing because of their presumed nutritional benefits. However, concerns remain regarding the (unintentional) presence of psychotropic phytocannabinoids such as Δ⁹-tetrahydrocannabinol (Δ⁹-THC), even in products made from low-THC cultivars. This study presents a comprehensive analysis of 86 hemp food products purchased across the European market between 2022 and 2024. Using UHPLC-HRMS/MS, targeted analysis of 47 phytocannabinoids and 52 polyphenols was performed to assess both hazardous and health-promoting compounds. Phytocannabinoids, including trans-Δ⁹-THC, cis-Δ⁹-THC, and their precursor Δ⁹-THCA, were frequently quantified, especially in hemp seed oils. In several cases, calculated Δ⁹-THC intake exceeded the acute reference dose (ARfD) for a 70 kg adult after a standard serving, raising concerns about consumer safety, particularly for products labeled as 'THC-free'. A shift toward lower Δ⁹-THC was observed in samples collected after the 2023 EU regulation setting maximum limits for this psychotropic compound. In addition to phytocannabinoids, polyphenols were quantified in all product types, with hemp seed flours showing the greatest diversity and highest concentrations of these bioactive secondary metabolites. In hemp oils, cannflavins A and B, unique lipophilic prenylflavonoids of <em>Cannabis sativa</em> L., were dominant. These findings highlight the value of advanced analytical approaches for characterization and quality control of hemp based foods.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"148 ","pages":"Article 108337"},"PeriodicalIF":4.6,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145117862","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Tritium activity concentration and radiation doses in South Korean bottled water: A safety assessment 韩国瓶装水中的氚活度浓度和辐射剂量：安全评估

IF 4.6 2区农林科学

Journal of Food Composition and Analysis Pub Date : 2025-09-18 DOI: 10.1016/j.jfca.2025.108343

Y. Jung, J. Ryoo, Y.J. Heo, M. Lee, S.H. Lee

{"title":"Tritium activity concentration and radiation doses in South Korean bottled water: A safety assessment","authors":"Y. Jung, J. Ryoo, Y.J. Heo, M. Lee, S.H. Lee","doi":"10.1016/j.jfca.2025.108343","DOIUrl":"10.1016/j.jfca.2025.108343","url":null,"abstract":"<div><div>In this study, tritium activity concentrations in commercially available bottled water in South Korea were determined using two analytical methods: direct distillation and electrolytic enrichment. A total of 36 bottled water samples, including four international brands, were collected in 2024 and analyzed. All samples analyzed using the distillation method yielded tritium concentrations below the minimum detectable activity (MDA). In contrast, the enrichment method, by pre-concentrating tritium, reduced the MDA by at least one order of magnitude, enabling the detection of tritium concentrations ranging from 0.145 ± 0.029 Bq/L to 1.082 ± 0.099 Bq/L. These values were well below the world health organization (WHO) guideline of 10,000 Bq/L for tritium in drinking water. Annual effective doses (AEDs) were calculated for different age groups, and all values were orders of magnitude lower than the ICRP’s recommended limit of 1 mSv/year for public exposure. These findings indicate that the consumption of the analyzed bottled water samples does not pose a significant radiological health risk from tritium exposure.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"148 ","pages":"Article 108343"},"PeriodicalIF":4.6,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145117863","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Low-cost label-free SERS detection of E. coli and S. aureus using dendritic Ag@Cu substrates in contaminated drinking water 树突状Ag@Cu底物低成本无标签SERS检测污染饮用水中大肠杆菌和金黄色葡萄球菌

IF 4.6 2区农林科学

Journal of Food Composition and Analysis Pub Date : 2025-09-18 DOI: 10.1016/j.jfca.2025.108342

Ayu Hanifah , Sudirman Sudirman , Rike Yudianti , Sri Priatni , Veinardi Suendo

{"title":"Low-cost label-free SERS detection of E. coli and S. aureus using dendritic Ag@Cu substrates in contaminated drinking water","authors":"Ayu Hanifah , Sudirman Sudirman , Rike Yudianti , Sri Priatni , Veinardi Suendo","doi":"10.1016/j.jfca.2025.108342","DOIUrl":"10.1016/j.jfca.2025.108342","url":null,"abstract":"<div><div>Street food and beverages are popular in Indonesian culinary. However, concerns over its safety persist, due to cross contamination between the food and water used during food processing, by pathogenic bacteria such as <em>Escherichia coli</em> and <em>Staphylococcus aureus.</em> In this study, we developed a low-cost bacterial detection using Surface Enhanced Raman Spectroscopy (SERS) with hybrid Ag@Cu substrate. The substrate was fabricated by electroless deposition of silver, to form dendritic structures. Two label-free SERS detection techniques, <em>ex-situ</em> and <em>in-situ</em>, were compared to evaluate their sensitivity for detecting <em>E</em>. <em>coli</em> and <em>S. aureus</em> in drinking water. The concentration of 100 mM AgNO<sub>3</sub> promotes the formation of AgNPs, facilitating signal amplification and enhancing the detection of bacterial molecular fingerprints. The results demonstrate that the <em>in-situ</em> method, which promotes bacterial trapping within dendritic Ag cavities, results in significantly enhanced Raman signal compared to the <em>ex-situ</em> method. The SERS response of <em>S. aureus</em> and <em>E. coli</em>, shows opposite trends due to differences in their surface charge. This study confirms that the <em>in-situ</em> label-free SERS technique can detect bacteria in real water samples, although its sensitivity is influenced by matrix interference. These findings offer a practical approach for bacterial detection, particularly for water monitoring and safety.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"148 ","pages":"Article 108342"},"PeriodicalIF":4.6,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145154788","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Enhancing aroma and stability in Sicilian Maiorca wheat beer: Impact of Torulaspora delbrueckii via inoculation methods 西西里麦奥卡小麦啤酒的香气增强及稳定性研究：接种法对德尔布氏环孢菌的影响

IF 4.6 2区农林科学

Journal of Food Composition and Analysis Pub Date : 2025-09-18 DOI: 10.1016/j.jfca.2025.108339

Ignazio Maria Gugino , Vincenzo Alfeo , Antonino Pirrone , Ilaria Proetto , Lucia Parafati , Fabrizio Cincotta , Alessandra Currò , Rosa Palmeri , Marco Torre , Antonella Verzera , Gert De Rouck , Biagio Fallico , Cristina Restuccia , Aldo Todaro

{"title":"Enhancing aroma and stability in Sicilian Maiorca wheat beer: Impact of Torulaspora delbrueckii via inoculation methods","authors":"Ignazio Maria Gugino , Vincenzo Alfeo , Antonino Pirrone , Ilaria Proetto , Lucia Parafati , Fabrizio Cincotta , Alessandra Currò , Rosa Palmeri , Marco Torre , Antonella Verzera , Gert De Rouck , Biagio Fallico , Cristina Restuccia , Aldo Todaro","doi":"10.1016/j.jfca.2025.108339","DOIUrl":"10.1016/j.jfca.2025.108339","url":null,"abstract":"<div><div>In response to the rising demand for alternative yeasts in brewing, this study explored the potential of <em>Torulaspora delbrueckii</em>, a yeast known for its floral notes in winemaking, to enhance the aromatic profile of wheat beer. We developed a recipe using a 1:1 blend of Maiorca wheat malt and grain and employed different inoculation methods to compare the effects of <em>T. delbrueckii</em> with a traditional <em>Saccharomyces cerevisiae</em> fermentation. Extensive physicochemical analyses were conducted on both the wort and beer, including volatile aroma compounds, by using solid-phase microextraction (SPME) coupled with gas chromatography-mass spectrometry (GC-MS). Identification was based on spectral library matching and retention index comparison. Results were compared to descriptive sensory analysis of the experimental beers. Eighteen key volatile compounds were detected, including phenethyl alcohol, ethyl acetate, and isoamyl acetate, with <em>T. delbrueckii</em> enhancing fruity and ester notes, especially in co-inoculated and sequentially inoculated beer samples. The introduction of <em>T. delbrueckii</em> during primary fermentation increased desirable aromatic compounds such as esters (fruity, floral), phenolics, and malty notes while reducing undesirable compounds like diacetyl, octanoic acid, oxidized aromas, and aldehydes. These findings indicate that <em>T. delbrueckii</em> could play a beneficial role in enhancing beer stability and sensory quality.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"148 ","pages":"Article 108339"},"PeriodicalIF":4.6,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145117864","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Extracting phytochemicals from Eleutherococcus senticosus using natural low-melting mixtures: Experimental and molecular simulation 利用天然低熔点混合物从刺棘球菌中提取植物化学物质：实验和分子模拟

IF 4.6 2区农林科学

Journal of Food Composition and Analysis Pub Date : 2025-09-18 DOI: 10.1016/j.jfca.2025.108318

Siming Nie , Xiaofei Xie , Mengying Zhang , Mengfei Tian , Qi Liang , Chunjian Zhao , Chunying Li

{"title":"Extracting phytochemicals from Eleutherococcus senticosus using natural low-melting mixtures: Experimental and molecular simulation","authors":"Siming Nie , Xiaofei Xie , Mengying Zhang , Mengfei Tian , Qi Liang , Chunjian Zhao , Chunying Li","doi":"10.1016/j.jfca.2025.108318","DOIUrl":"10.1016/j.jfca.2025.108318","url":null,"abstract":"<div><div>In this study, a series of natural low-melting mixture solvents (NLoMMSs) were prepared using choline chloride as the hydrogen bond acceptor and various compounds as the hydrogen bond donor for the extraction of principal phytochemicals, namely eleutheroside B, eleutheroside E, rutin, hyperoside, and quercitrin from <em>E. senticosus</em>. The optimal NLoMMS was determined to comprise lactic acid to choline chloride with a molar ratio of 3:1, accompanied by a water content of 30 %. In comparison to other extraction solvents, the prepared NLoMMS serve as a green and sustainable extraction medium, which shows high extraction yield for phytochemicals in <em>E. senticosus</em>. The optimal extraction conditions were determined to be: an extraction time of 20 min, an extraction pressure of −0.07 MPa, and a liquid-solid ratio of 20 mL/g. The surface morphology and functional groups of phytochemicals before and after extracting by NLoMMS were systematically characterized. It was observed that NLoMMS could more effectively destroy the cell wall, which was conducive to the efficient extraction of phytochemicals. Furthermore, the extraction mechanism of phytochemicals by NLoMMS was explored by molecular dynamics simulation. The results indicate that van der Waals forces, hydrogen bonding, and electrostatic interactions are the primary interaction forces between NLoMMS and phytochemicals.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"148 ","pages":"Article 108318"},"PeriodicalIF":4.6,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145095417","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Residual dissipation and dietary risk assessment of mefentrifluconazole enantiomers from tea bushes to consumer products 甲苯三氟康唑对映体从茶树到消费品的残留消散及膳食风险评估

IF 4.6 2区农林科学

Journal of Food Composition and Analysis Pub Date : 2025-09-18 DOI: 10.1016/j.jfca.2025.108336

Ying Zhang , Fang Wang , Guiyuan Shi , Wenyuan Huang , Jiahuan Long , Hongping Chen , Tingting Duan , Xinzhong Zhang

{"title":"Residual dissipation and dietary risk assessment of mefentrifluconazole enantiomers from tea bushes to consumer products","authors":"Ying Zhang , Fang Wang , Guiyuan Shi , Wenyuan Huang , Jiahuan Long , Hongping Chen , Tingting Duan , Xinzhong Zhang","doi":"10.1016/j.jfca.2025.108336","DOIUrl":"10.1016/j.jfca.2025.108336","url":null,"abstract":"<div><div>This study systematically investigates the enantioselective degradation of mefentrifluconazole throughout tea growth, processing, and brewing. The limits of quantification for mefentrifluconazole enantiomers were 0.0025 mg/kg in fresh tea leaves, tea, and tea infusion. The half-life of (+)-mefentrifluconazole and (−)-mefentrifluconazole ranged from 1.36–3.17 d and 1.47–3.28 d in spring and summer tea, respectively. Furthermore, the enantiomer fraction of mefentrifluconazole enantiomers in summer tea decreased from 0.51 to 0.32, indicating preferential degradation of (+)-mefentrifluconazole. The total processing factors for (+)-mefentrifluconazole and (−)-mefentrifluconazole in black tea were 3.37–4.50 and 3.18–4.60, respectively, while for green tea, they were 2.69–4.34 and 2.62–4.59, respectively. The total leaching rates of mefentrifluconazole enantiomers were 27.29 %–31.96 % in green tea and 13.71 %–14.79 % in black tea. These findings can guide the rational application of mefentrifluconazole in tea plantations. The chronic and acute risk quotients of mefentrifluconazole were significantly less than 1, suggesting acceptable dietary health risks of mefentrifluconazole in tea. However, the total dietary risk of mefentrifluconazole was 104.73 %, which poses risks to human health.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"148 ","pages":"Article 108336"},"PeriodicalIF":4.6,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145117867","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Quantitative non-destructive characterization of apple fruit impact damage based on computation of the modulus of elasticity 基于弹性模量计算的苹果果实冲击损伤定量无损表征

IF 4.6 2区农林科学

Journal of Food Composition and Analysis Pub Date : 2025-09-18 DOI: 10.1016/j.jfca.2025.108338

Bin Li, Hao Ran, You-fei Hou, Shang-tao Ou-yang, Yi-rong Wan, Yu-shuo Ni, Xia Wan, Yan-de Liu

{"title":"Quantitative non-destructive characterization of apple fruit impact damage based on computation of the modulus of elasticity","authors":"Bin Li, Hao Ran, You-fei Hou, Shang-tao Ou-yang, Yi-rong Wan, Yu-shuo Ni, Xia Wan, Yan-de Liu","doi":"10.1016/j.jfca.2025.108338","DOIUrl":"10.1016/j.jfca.2025.108338","url":null,"abstract":"<div><div>To address the issues of difficulty in measuring mechanical parameters and inconsistencies in damage grading standards caused by differences in the physiological structure and size of fruits, an elastic modulus-based quantitative damage prediction model was established. This laid the theoretical foundation for expanding the application scope of quantitative damage prediction models for fruits. Firstly, reflectance spectral data before and after apple damage are extracted, and mechanical parameters of apple collisions are collected. Then, the elastic modulus was used for linear fitting with other mechanical parameters. Finally, the Competitive Adaptive Re-weighting (CARS) algorithm was used to screen the characteristic wavelengths in the spectrum and establish prediction models for each mechanical parameter. The results indicate that there is a good linear relationship between the elastic modulus of apples and the damaged area, peak force, and damage depth. The prediction accuracy of the mechanical parameter model established based on CARS characteristic wavelength screening was improved. The R<sub>p</sub> and RMSEP of their damage area, peak force, absorbed energy, damage depth, and elastic modulus change rate prediction models were 0.935 and 91.97 mm², 0.938 and 28.72 N, 0.896 and 0.24 J, 0.936 and 0.63 mm, and 0.920 and 4.07 %, respectively.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"148 ","pages":"Article 108338"},"PeriodicalIF":4.6,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145095414","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Rapid determination and variety identification of active ingredient contents in Chrysanthemi Flos by near-infrared spectroscopy and machine learning 近红外光谱与机器学习技术快速测定菊花有效成分含量及品种鉴定

IF 4.6 2区农林科学

Journal of Food Composition and Analysis Pub Date : 2025-09-18 DOI: 10.1016/j.jfca.2025.108334

Ranran Cheng , Yangfei Ding , Dongliang Jiang , Jiuba Zhang , Mengru Wang , Yan Xu , Hongsu Zhao , Xiang Cheng , Deling Wu , Wei Zhang

{"title":"Rapid determination and variety identification of active ingredient contents in Chrysanthemi Flos by near-infrared spectroscopy and machine learning","authors":"Ranran Cheng , Yangfei Ding , Dongliang Jiang , Jiuba Zhang , Mengru Wang , Yan Xu , Hongsu Zhao , Xiang Cheng , Deling Wu , Wei Zhang","doi":"10.1016/j.jfca.2025.108334","DOIUrl":"10.1016/j.jfca.2025.108334","url":null,"abstract":"<div><div>In this study, a qualitative discrimination and quantitative prediction model for the rapid and effective identification of <em>Chrysanthemi Flos</em> (CF) was developed utilizing near-infrared spectroscopy (NIRS) in conjunction with ultra-performance liquid chromatography (UPLC) and multivariate algorithms. The contents of six active constituents-chlorogenic acid, luteolin-7-<em>O</em>-<em>β</em>-D-glucoside, 3,5-<em>O</em>-dicaffeoylquinic acid, tilianin, apigenin, and acacetin-in CF were quantified using UPLC. Significant variations were observed in the contents of these components across different CF varieties. Utilizing NIRS data, the subspace clustering algorithm effectively differentiated various CF varieties, achieving an accuracy rate of 95.7 %. Subsequently, the acquired NIRS data underwent preprocessing and feature selection variables, partial least squares regression prediction models for the six active components were successfully established, with R<sup>2</sup> values exceeding 0.8 for both the training and prediction sets. In conclusion, the integration of NIRS with machine learning technology has been demonstrated to be a rapid, effective, and feasible approach for the identification of CF varieties.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"148 ","pages":"Article 108334"},"PeriodicalIF":4.6,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145117866","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0