Journal of Food Composition and Analysis最新文献

Research on rapid and non-destructive detection of adulterated wheat flour using hyperspectral imaging and machine learning 利用高光谱成像和机器学习快速无损检测掺假小麦粉的研究

IF 4 2区农林科学

Journal of Food Composition and Analysis Pub Date : 2025-07-17 DOI: 10.1016/j.jfca.2025.108050

Guangran Bai, Tingsong Zhang, Ziyuan Liu, Yimin Zhou, Yiqing Xu, Tong Sun, Lu Zhou

{"title":"Research on rapid and non-destructive detection of adulterated wheat flour using hyperspectral imaging and machine learning","authors":"Guangran Bai, Tingsong Zhang, Ziyuan Liu, Yimin Zhou, Yiqing Xu, Tong Sun, Lu Zhou","doi":"10.1016/j.jfca.2025.108050","DOIUrl":"10.1016/j.jfca.2025.108050","url":null,"abstract":"<div><div>Detection of adulterated wheat flour is crucial for public health. This study aims to establish a detection model based on hyperspectral imaging and machine learning for identifying wheat flour adulteration. Hyperspectral images of wheat flour with different degrees of mold and germination were collected by a hyperspectral camera. The raw spectral data were preprocessed with various methods to enhance quality. Uninformative Variable Elimination (UVE), Competitive Adaptive Reweighted Sampling (CARS), and Successive Projections Algorithm (SPA) were utilized to select feature spectral bands. Random Forest Regression (RFR), Gradient Boosting Regression (XGBR), and other three models were used to establish optimized quantitative analysis models. The results showed that, for moldy wheat flour, all models achieved R² values above 0.95. In particular, the combination of RFR and XGBR yielded R² values exceeding 0.99 and root mean square error (RMSE) values below 0.02. The performance for germinated wheat flour detection was slightly lower, but some models still achieved R² values above 0.95. Furthermore, spectral visualization analysis was performed to generate intuitive heat maps, illustrating the spatial distribution of inferior components in the samples. This study confirms the feasibility of using hyperspectral imaging and machine learning for rapid, non-destructive detection of adulterated wheat flour.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"147 ","pages":"Article 108050"},"PeriodicalIF":4.0,"publicationDate":"2025-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144679475","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

Exploring cholesterol presence in Allium cepa and Allium fistulosum L using LC-APCI-MS/MS 采用LC-APCI-MS/MS技术研究大蒜和细茎葱中胆固醇的含量

IF 4 2区农林科学

Journal of Food Composition and Analysis Pub Date : 2025-07-17 DOI: 10.1016/j.jfca.2025.108061

Vivian Prayitno , Ho-Chang Kim , Eun-Ju Cho , Ki-Teak Lee

{"title":"Exploring cholesterol presence in Allium cepa and Allium fistulosum L using LC-APCI-MS/MS","authors":"Vivian Prayitno , Ho-Chang Kim , Eun-Ju Cho , Ki-Teak Lee","doi":"10.1016/j.jfca.2025.108061","DOIUrl":"10.1016/j.jfca.2025.108061","url":null,"abstract":"<div><div>A limited number of studies have shown the presence of trace amounts of cholesterol in plants. However, due to the extremely low concentrations and structural similarities between cholesterol and other compounds including phytosterols and lathosterol, advanced analytical techniques are crucial for improving the detection reliability. This study investigated cholesterol presence in four species within the same <em>Allium</em> genus: onion (<em>Allium cepa</em>), spring onion (<em>Allium fistulosum L</em>.), garlic (<em>Allium sativum</em>), and chives (<em>Allium tuberosum Rottl</em>.) using GC-MS and LC-APCI-MS/MS. Cholesterol was quantified only in onions and spring onions at concentrations of 23.4 and 7.3 mg/100 g dry weight. The MS spectrum showed that fragmentation occurred at the A-ring steroid in the cholesterol-TMS derivatives, producing abundant ions at <em>m/z</em> 129 and 329. Ions at <em>m/z</em> 368 and 353 were also created from the fragmentation of TMSO and methyl groups. LC-APCI-MS/MS generated precursor ions [M+H–H<sub>2</sub>O]<sup>+</sup> , which fragmented at the C-ring, resulting in major ions at <em>m/z</em> 161 and 147, while <em>m/z</em> 257 was the least abundant ion produced from two fragmentations at the C-ring and side chain.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"147 ","pages":"Article 108061"},"PeriodicalIF":4.0,"publicationDate":"2025-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144662362","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

Non-destructive origin tracing and ginsenoside quantification in American ginseng using hyperspectral imaging and mixed multi-task 1DCNN 利用高光谱成像和混合多任务1DCNN对西洋参中人参皂苷进行无损溯源和定量分析

IF 4 2区农林科学

Journal of Food Composition and Analysis Pub Date : 2025-07-17 DOI: 10.1016/j.jfca.2025.108063

Yu Yang , Junjun Zhou , Anqi Liu , Zhiqing Yang , Yao Qin , Fangchao Tian , Peng Li , Dandan Zhai

{"title":"Non-destructive origin tracing and ginsenoside quantification in American ginseng using hyperspectral imaging and mixed multi-task 1DCNN","authors":"Yu Yang , Junjun Zhou , Anqi Liu , Zhiqing Yang , Yao Qin , Fangchao Tian , Peng Li , Dandan Zhai","doi":"10.1016/j.jfca.2025.108063","DOIUrl":"10.1016/j.jfca.2025.108063","url":null,"abstract":"<div><div>Accurate origin tracing and ginsenoside quantification in American ginseng (<em>Panax quinquefolius L.</em>), are critical for its market value and therapeutic efficacy. Empirical identification and chemical analysis methods are often destructive and inefficient. This study addresses these limitations by integrating hyperspectral imaging (HSI) with a novel mixed multi-task one-dimensional convolutional neural network (MMT1DCNN) for the non-destructive and rapid evaluation of ginsenoside content and origin of American ginseng. Adaptive threshold segmentation and spectra extraction are conducted on the raw HSI images to obtain the spectral data of each American ginseng. Four common pretreatment methods are employed to clean and normalize the spectra. The successive projections algorithm is applied to select key bands from spectra, which are then fed into the MMT1DCNN to simultaneously predict the origin and ginsenoside content. A dataset containing spectral, origin, and ginsenoside data of American ginseng is constructed to validate the method's performance. Experimental results demonstrate that the proposed method achieves 95 % overall accuracy for origin classification, a correlation coefficient of 0.965, a root mean square error of 3.64 mg/g, and a residual predictive deviation of 3.54 for ginsenoside content. These findings suggest that the developed method has significant potential for non-destructive, accurate origin tracing and quantitative evaluation of American ginseng.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"147 ","pages":"Article 108063"},"PeriodicalIF":4.0,"publicationDate":"2025-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144672329","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

Sustainable N-CQDs from Phyllanthus emblica: A dual-function fluorescent probe for chloramphenicol detection and latent fingerprint enhancement 一种用于氯霉素检测和潜在指纹增强的双功能荧光探针

IF 4 2区农林科学

Journal of Food Composition and Analysis Pub Date : 2025-07-17 DOI: 10.1016/j.jfca.2025.108056

Rishabh , Manviri Rani , Uma Shanker

{"title":"Sustainable N-CQDs from Phyllanthus emblica: A dual-function fluorescent probe for chloramphenicol detection and latent fingerprint enhancement","authors":"Rishabh , Manviri Rani , Uma Shanker","doi":"10.1016/j.jfca.2025.108056","DOIUrl":"10.1016/j.jfca.2025.108056","url":null,"abstract":"<div><div>Selective and sensitive detection of chloramphenicol (CAP) in food and environmental samples was achieved through green-synthesis of nitrogen-doped carbon-quantum-dots (N-CQDs) from <em>Phyllanthus emblic</em>a. Green-technique employs a microwave-assisted-approach that is founded on green chemistry principles to produce N-CQDs with enhanced photoluminescence through N-doping. Structural characterization of samples confirmed their effective nitrogen incorporation, spherical-characterization (average-diameter: 6.49 nm), and graphitic-structure. N-CQDs exhibit robust quenching response to CAP and remarkable fluorescence-stability, with a linear-detection-range of 0.5–25 μM and detection limit of 13.1 nM. Probe's specificity is demonstrated by its resistance to interference from other antibiotics, including tetracycline and amoxicillin. Process demonstrated practical utility by achieving recovery rates of 98.13 %–105.33 % in real-world matrices such as milk, yogurt, effluent, and agricultural runoff on application. Additionally, silica nanocomposite phosphors were combined with N-CQDs for the purpose of conducting a forensic investigation. Unique luminous qualities of N-CQDs enabled the visualization of latent fingerprints in a more detailed manner, which in turn revealed distinct ridge patterns under UV illumination. This combined action demonstrates the relevance of N-CQDs in overcoming the primary obstacles in environmental monitoring, forensic science, and food safety. Additionally, this approach is reasonably priced and scalable, which suggests that it has potential for widespread application.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"147 ","pages":"Article 108056"},"PeriodicalIF":4.0,"publicationDate":"2025-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144672330","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

A smartphone-assisted colorimetric test kit for the determination of indole-3-carbinol in dietary supplements 一种智能手机辅助比色法测定膳食补充剂中吲哚-3-甲醇的试剂盒

IF 4 2区农林科学

Journal of Food Composition and Analysis Pub Date : 2025-07-17 DOI: 10.1016/j.jfca.2025.108062

Apichai Phonchai , Merisa Chapan , Sunisa Pon-in , Korbua Chaisiwamongkhol , Soonthorn Khwan-On , Nuchalee Thipmonta , Kosin Teeparuksapun

{"title":"A smartphone-assisted colorimetric test kit for the determination of indole-3-carbinol in dietary supplements","authors":"Apichai Phonchai , Merisa Chapan , Sunisa Pon-in , Korbua Chaisiwamongkhol , Soonthorn Khwan-On , Nuchalee Thipmonta , Kosin Teeparuksapun","doi":"10.1016/j.jfca.2025.108062","DOIUrl":"10.1016/j.jfca.2025.108062","url":null,"abstract":"<div><div>This work introduces a sol-gel test kit for the colorimetric determination of indole-3-carbinol (I3C) in dietary supplements sold in health food, pharmacies, and online sources. The test kit comprises a chromogenic reagent of para-dimethylaminocinnamaldehyde (DMACA) entrapped within a sol-gel matrix. The assay relies on the reaction of indole-3-carbinol with DMACA under acidic conditions to form a dark red-violet azafulvenium salt. Color changes are clearly visible to the naked eye and are evaluated with a smartphone application. Under optimized conditions, the method demonstrated a linear calibration range of 10–100 mg L<sup>–1</sup> (r² = 0.9892), with detection and quantification limits of 2.0 mg L⁻¹ and 6.7 mgL<sup>–1</sup>, respectively. The smartphone-assisted colorimetric method showed good intra- and inter-day precision, with % RSDs lower than 8.1 %, and good accuracy, with acceptable relative errors in the range of 12.9–13.8 %. The sol-gel test kit showed long-term storage stability for two months at −18°C. For the analysis of ten dietary supplement products, smartphone-assisted colorimetric test kit is in good agreement with high-performance liquid chromatography with an ultraviolet detector (HPLC-UV) as reference method. This low-cost, portable and disposable test kit offers as an alternative approach for monitoring the quality of indole-3-carbinol dietary supplement.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"147 ","pages":"Article 108062"},"PeriodicalIF":4.0,"publicationDate":"2025-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144679472","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

Comparative analysis of muscle and liver fat content, fatty acid profiles, and hepatic morphology in five cultivated populations of largemouth bass (Micropterus salmoides) 5个养殖群体大口黑鲈肌肉和肝脏脂肪含量、脂肪酸谱和肝脏形态的比较分析

IF 4 2区农林科学

Journal of Food Composition and Analysis Pub Date : 2025-07-16 DOI: 10.1016/j.jfca.2025.108048

Haoxiao Yan , Xuankai Li , Weizhe Luo , Mingxi Yuan, Hao Liu, Rabia Tahir, Quanxi Li, Qiao Liu, Kaige Song, Song Yang, Liulan Zhao

{"title":"Comparative analysis of muscle and liver fat content, fatty acid profiles, and hepatic morphology in five cultivated populations of largemouth bass (Micropterus salmoides)","authors":"Haoxiao Yan , Xuankai Li , Weizhe Luo , Mingxi Yuan, Hao Liu, Rabia Tahir, Quanxi Li, Qiao Liu, Kaige Song, Song Yang, Liulan Zhao","doi":"10.1016/j.jfca.2025.108048","DOIUrl":"10.1016/j.jfca.2025.108048","url":null,"abstract":"<div><div>Assessing nutritional traits of farmed fish is crucial for enhancing aquaculture efficiency and quality. This study evaluated phenotypic traits, fat distribution patterns, and fatty acid profiles across five largemouth bass (<em>Micropterus salmoides</em>) populations: \"Youlu No. 1\" (YL1), \"Youlu No. 3\" (YL3), Anhui population (ABP), Taiwan population (TBP), and common population (CBP). Fat accumulation gradients revealed mesenteric fat weight and intraperitoneal fat ratio ranked CBP > ABP > TBP > YL3 > YL1. Tissue-specific fat content varied markedly: dorsal muscles (3.90–5.31 %), abdominal muscles (23.76–44.56 %), and liver (9.25–18.69 %), and abdominal muscle fat content was strongly correlated with hepatic lipid deposition. Fatty acid profiling identified 26, 28, and 20 fatty acids in dorsal, abdominal muscles, and liver, respectively. CBP exhibited balanced SFA:MUFA:PUFA ratios (optimal for nutrition), while YL3 showed superior cardiovascular/antioxidant benefits. Populations differed in fatty liver susceptibility: YL3 displayed severe steatosis, followed by YL1, ABP, and TBP, whereas CBP maintained healthy liver morphology. Histomorphometric analysis confirmed positive correlations between liver fat content, vacuole area, and lipid droplet density. These findings guide largemouth bass selective breeding to optimize fat content, enhance fatty acid quality, and mitigate hepatic issues in aquaculture.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"147 ","pages":"Article 108048"},"PeriodicalIF":4.0,"publicationDate":"2025-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144657047","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

Identification of semi-volatile specialized metabolites from Vitellaria paradoxa (shea) kernels using GC-MS 气相色谱-质谱法鉴定牛油果籽粒半挥发性特殊代谢物

IF 4 2区农林科学

Journal of Food Composition and Analysis Pub Date : 2025-07-16 DOI: 10.1016/j.jfca.2025.108042

Paula Toma , Kit Granby , Peter Christensen , Ella Walbeogo , Yaya Dao , Tore K. Ravn , Jan H. Christensen , Nikoline J. Nielsen

{"title":"Identification of semi-volatile specialized metabolites from Vitellaria paradoxa (shea) kernels using GC-MS","authors":"Paula Toma , Kit Granby , Peter Christensen , Ella Walbeogo , Yaya Dao , Tore K. Ravn , Jan H. Christensen , Nikoline J. Nielsen","doi":"10.1016/j.jfca.2025.108042","DOIUrl":"10.1016/j.jfca.2025.108042","url":null,"abstract":"<div><div>Nuts from the African wild tree <em>Vitellaria paradoxa</em> (shea) represent a valuable source of plant-based butter used in cosmetics and foods, e.g. as a cocoa butter equivalent. Beyond glyceridic lipids, kernels contain triterpene esters, phytosterols, and tocopherols with bioactive properties such as antioxidative, anti-inflammatory, anticancer, and cholesterol-lowering effects. Here, GC-MS was used to profile triterpene alcohols, acetates, cinnamates, and related metabolites. Identification relied on comparisons with standards, retention time and spectral libraries, and literature. Through saponification, the presence of ten triterpene alcohols was confirmed, while 18 triterpene esters, spinasterol and 22,23-dihydrospinasterol were identified in unsaponified extracts. The triterpene esters are derived from the triterpene alcohols amyrin (α, β and δ), lupeol, butyrospermol, taraxasterol, Ψ-taraxasterol, lanosterol, parkeol, and 24-methylenecycloartanol. Abundant ones are α-amyrin- and lupeol cinnamate (together 15.4 mg/g), α-amyrin acetate (2.8 mg/g), butyrospermol cinnamate (2.8 mg/g) and acetate (1.6 mg/g), lupeol acetate (2.2 mg/g), β-amyrin cinnamate (1.6 mg/g) and acetate (0.7 mg/g), with triterpene esters comprising up to 3.6 % of the shea kernels. This study provides the first GC-MS-based absolute quantities of triterpene acetates and cinnamates in shea kernels. The method adds to knowledge about shea’s specialized metabolites, which may enhance understanding of their bioactive potential.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"147 ","pages":"Article 108042"},"PeriodicalIF":4.0,"publicationDate":"2025-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144679468","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

Pesticide residues in wheat grains in Türkiye (2021–2024): Multi-year monitoring and health risk assessment 浙江省小麦籽粒农药残留（2021-2024）：多年监测与健康风险评估

IF 4 2区农林科学

Journal of Food Composition and Analysis Pub Date : 2025-07-16 DOI: 10.1016/j.jfca.2025.108053

Canerdem Yigitsoy , Shiva Sadighfard

{"title":"Pesticide residues in wheat grains in Türkiye (2021–2024): Multi-year monitoring and health risk assessment","authors":"Canerdem Yigitsoy , Shiva Sadighfard","doi":"10.1016/j.jfca.2025.108053","DOIUrl":"10.1016/j.jfca.2025.108053","url":null,"abstract":"<div><div>This study presents a multi-year monitoring effort involving 984 wheat grain samples collected throughout Türkiye from 2021 to 2024, focusing on the detection of 324 pesticide residues and their associated health risks. The analytical methodology, based on QuEChERS extraction and LC-MS/MS analysis, was validated in accordance with SANTE/11312/2021 guidelines, demonstrating high accuracy and sensitivity. Detectable pesticide residues were found in 47 samples (4.77 %), of which 25 samples (2.54 %) exceeded the maximum residue limits (MRLs) established by the European Union. The identified residues included chlorpyrifos-ethyl, pirimiphos-methyl, imidacloprid, deltamethrin, acetamiprid, triasulfuron, triticonazole, pyraclostrobin, and thiamethoxam. Among these, chlorpyrifos-ethyl, imidacloprid, triasulfuron, and triticonazole exceeded their respective MRLs in at least one sample. Chlorpyrifos-ethyl was the most frequently detected pesticide, followed by pirimiphos-methyl and imidacloprid. Notably, chlorpyrifos-ethyl, banned in Türkiye since 2020, exceeded its MRL in all positive samples, suggesting either illegal use or environmental persistence in agricultural soils. Health risk assessment showed that both chronic (HQc) and acute (HQa) hazard quotients remained below 1 for all detected compounds, indicating no significant health risk to either adults or children. The presence of banned pesticides highlights the urgent need for more stringent regulatory enforcement and expanded residue surveillance to ensure food safety in staple crops and safeguard broader public health.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"147 ","pages":"Article 108053"},"PeriodicalIF":4.0,"publicationDate":"2025-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144657040","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

The effect of organic fining agents on the elemental composition of young Cabernet Sauvignon wine 有机精制剂对赤霞珠幼酒元素组成的影响

IF 4 2区农林科学

Journal of Food Composition and Analysis Pub Date : 2025-07-16 DOI: 10.1016/j.jfca.2025.108055

Zaual A. Temerdashev , Aleksey G. Abakumov , Mikhail A. Bolshov , Yulia V. Brezhneva , Evgeniy Y. Gipich

{"title":"The effect of organic fining agents on the elemental composition of young Cabernet Sauvignon wine","authors":"Zaual A. Temerdashev , Aleksey G. Abakumov , Mikhail A. Bolshov , Yulia V. Brezhneva , Evgeniy Y. Gipich","doi":"10.1016/j.jfca.2025.108055","DOIUrl":"10.1016/j.jfca.2025.108055","url":null,"abstract":"<div><div>The treatment with fining agents is an important factor that affects the change in the elemental composition of wines. The article presents the results of research on the effect of organic fining agents on the quality, safety and identification characteristics of red wine of the Cabernet Sauvignon variety. The samples of young wine were clarified and stabilized with six organic fining agents. The optical emission and mass spectrometry methods were used to determine the concentrations of 40 elements in samples of young wine, as well as in fining agents. Depending on the area of grape cultivation, the concentrations of macroelements in young wines after treatment with fining agents decreased by 2–9 %, and trace elements from 1 % to 32 %. Rare earth elements concentrations were virtually non-existent in both untreated and treated young wines. Using the multidimensional analysis methods, the presence of a cluster structure of treated young wines was established. Organic fining agents allow you to keep the elemental composition of wine at a more natural level, which will be in demand by manufacturers of products. The results obtained can be used to develop recommendations on the use of fining agents in the production of high-quality wines.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"147 ","pages":"Article 108055"},"PeriodicalIF":4.0,"publicationDate":"2025-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144672328","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

Machine learning-based malachite green and leucomalachite green content in large-mouth bass prediction using Raman spectroscopy 基于机器学习的孔雀石绿和白孔雀石绿在拉曼光谱预测大口鲈鱼中的含量

IF 4 2区农林科学

Journal of Food Composition and Analysis Pub Date : 2025-07-16 DOI: 10.1016/j.jfca.2025.108052

Wan Yi Li , Mei Di Cheng , Ting Wu , Jun Quan Lin , Li Lin , Ling Yang , Juan Zou

{"title":"Machine learning-based malachite green and leucomalachite green content in large-mouth bass prediction using Raman spectroscopy","authors":"Wan Yi Li , Mei Di Cheng , Ting Wu , Jun Quan Lin , Li Lin , Ling Yang , Juan Zou","doi":"10.1016/j.jfca.2025.108052","DOIUrl":"10.1016/j.jfca.2025.108052","url":null,"abstract":"<div><div>Carcinogenic malachite green (MG) and its metabolite leucomalachite green (LMG) in aquatic products present significant food safety risks. Conventional detection methods for MG and LMG, such as the liquid chromatography-tandem mass spectrometry (LC-MS/MS), are often time-consuming and destructive due to their laborious multi-step sample extraction and purification procedures, thereby hindering rapid screening in the aquaculture industry. This study addresses this need by developing a non-destructive method using Raman spectroscopy combined with machine learning to predict MG and LMG concentrations in large-mouth bass muscle tissue. Muscle samples were analyzed at multiple time points (0–480 min) post-MG/LMG exposure. Among evaluated preprocessing techniques (Savitzky-Golay smoothing, multiple scatter correction, standard normal variate, normalization), Savitzky-Golay smoothing proved most effective. Four machine learning regression models were tested: Partial Least-Squares Regression (PLSR), Random Forest Regression (RFR), XGBoost, and Back Propagation Neural Network (BPNN). RFR yielded the best predictions for MG (validation R² = 0.8090), while PLSR was optimal for LMG (validation R² = 0.8435). This Raman/ML approach enables rapid, non-invasive quantification of these banned residues, offering a practical tool for enhanced food safety monitoring in aquaculture.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"147 ","pages":"Article 108052"},"PeriodicalIF":4.0,"publicationDate":"2025-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144657044","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