Journal of Food Composition and Analysis最新文献_第2页

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

IF 4.6 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis

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

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

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

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

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引用次数: 0

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

IF 4.6 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis

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

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

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

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

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引用次数: 0

Morphological, biochemical and fatty acid variations of three perilla (Perilla frutescens L.) cultivars under open-field conditions in Northern China 中国北方3个紫苏品种在露天条件下形态、生化和脂肪酸的变化

IF 4.6 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis

Pub Date : 2026-01-23 DOI: 10.1016/j.jfca.2026.108940

Xiuqing Gao , Sheng Li , Linyu Mu , Tianyu Hou , Zhijun Zhang , Huizhen Li

Perilla (Perilla frutescens L.) is an economically significant oilseed crop valued for its high α-linolenic acid (ALA) content and nutritional properties. Optimizing genotype selection is crucial for improving oil yield and nutritional quality in diverse environments. This study evaluated morphological and biochemical variation of three perilla cultivars (Bing Zisu 1, Zhongbei Zisu 3 and Zhongbei Zisu 4) and hypothesized that genotype, year, and location significantly influence these traits, revealing distinct genotype-specific advantages. Field trials were conducted over two years (2022 and 2024) across five open-field locations in Shanxi Province, China. Significant genotypic differences were observed. Zhongbei Zisu 4 exhibited late flowering and maturity, highest 1000 grain weight (3.66 g), protein (26.53 g/100 g), and oil (38.93 g/100 g) with low fiber (12.03 %). Zhongbei Zisu 3 showed overall superior morphology and the highest ALA content (65.16 %), while Bing Zisu 1 had the highest oleic acid content (22.12 %) and crude fiber (15.8 %). Planting year and location significantly (p < 0.05) affected most morphological traits, with a 21.86 % grain yield increase in 2024 compared to 2022. Grain yield positively correlated with several morphological and biochemical traits. Distinct genotype-specific strengths were identified, providing a foundation knowledge for targeted breeding and selection strategies.

紫苏（Perilla frutescens L.）是一种经济上重要的油籽作物，其α-亚麻酸（ALA）含量高，营养价值高。优化基因型选择是提高不同环境下油料产量和营养品质的关键。本研究对3个紫苏品种（冰紫素1号、中北紫素3号和中北紫素4号）的形态和生化变异进行了评价，并推测基因型、年份和地理位置对这些性状有显著影响，显示出明显的基因型特异性优势。现场试验为期两年（2022年和2024年），在中国山西省的五个露天地点进行。基因型差异显著。中北紫素4号开花晚，成熟晚，千粒重最高（3.66 g），蛋白质含量最高（26.53 g/100 g），油脂含量最高（38.93 g/100 g），纤维含量低（12.03 %）。中北紫素3号整体形态优越，ALA含量最高（65.16 %），冰紫素1号油酸含量最高（22.12 %），粗纤维含量最高（15.8 %）。种植年份和种植地点对大部分形态性状影响显著（p <； 0.05），2024年产量比2022年提高21.86 %。籽粒产量与若干形态和生化性状呈正相关。发现了不同的基因型特异性优势，为有针对性的育种和选择策略提供了基础知识。

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引用次数: 0

Effect of pearling and altitude on quinoa grain composition and protein digestibility 采珠和海拔对藜麦籽粒组成和蛋白质消化率的影响

IF 4.6 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis

Pub Date : 2026-01-23 DOI: 10.1016/j.jfca.2026.108931

Ricardo Benítez Benítez , Andrés Felipe Ahumada Mamiam , Rodrigo Sarria Villa

This study examined how pearling intensity and cultivation altitude jointly influence the nutritional composition, in vitro protein digestibility, and saponin content of quinoa (Chenopodium quinoa Willd.) produced at 2000, 2500, and 3000 m a.s.l. in Colombia. Grains were subjected to four abrasion levels (0 %, 10 %, 30 %, and 50 %), and their proximate composition, amino acid profile, vitamin content, saponin concentration, and protein digestibility were determined. The antimicrobial activity of pearling residues was also assessed. Pearling at ≥ 30 % decreased saponin content to < 0.11 %, meeting safety requirements for human consumption and increasing protein digestibility by 11.56 %. However, this treatment also led to substantial reductions in fat, fiber, ash, vitamins, and essential amino acids. Although altitude significantly affected several nutritional attributes, it had no measurable impact on saponin levels. Pearling residues exhibited antimicrobial activity, indicating their potential as bioactive byproducts. Overall, moderate pearling effectively enhances quinoa digestibility and reduces antinutritional compounds while generating residues with possible applications in food and pharmaceutical sectors.

本研究考察了采珠强度和栽培海拔对哥伦比亚产于2000、2500和3000 m.a.s.l.的藜麦（Chenopodium quinoa Willd.）营养成分、体外蛋白质消化率和皂苷含量的共同影响。对籽粒进行4种磨损水平（0 %、10 %、30 %和50 %），测定其近似组成、氨基酸谱、维生素含量、皂苷浓度和蛋白质消化率。并对珍珠渣的抑菌活性进行了评价。采珠率≥ 30 %时，总皂苷含量降至<； 0.11 %，满足人体食用安全要求，蛋白质消化率提高11.56 %。然而，这种治疗也导致脂肪、纤维、灰分、维生素和必需氨基酸的大量减少。虽然海拔对几种营养属性有显著影响，但对皂苷水平没有可测量的影响。珠光残留物具有抗菌活性，表明其作为生物活性副产物的潜力。总的来说，适度的珍珠化有效地提高了藜麦的消化率，减少了抗营养化合物，同时产生了可能应用于食品和制药部门的残留物。

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引用次数: 0

Heavy metal contamination and health risk assessment of tea in Guangzhou, China 广州地区茶叶重金属污染及健康风险评价

IF 4.6 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis

Pub Date : 2026-01-23 DOI: 10.1016/j.jfca.2026.108911

Jiawei Su , Zhenke Yi , Yingxuan Zeng , He Wang , Ronghua Mo , Yuting Liang , Qiting Qiu , Kailin Xu , Kang Wang , Yingxia Wu , Xinyan Zhu , Tuerxun Subi , Zhifeng Zhou , Jufeng Ye

This study evaluated heavy metal contamination and health risks in tea consumed in Guangzhou. Fifty tea samples (green, black, oolong, and dark) from three districts were digested using an optimized microwave protocol with diluted nitric acid (∼42 % HNO₃), achieving complete matrix decomposition, stable recoveries (95–110 %), and reduced acid use. ICP-MS quantified As, Cd, Cr, Cu, and Pb, while Hg was measured using an automatic mercury analyzer. Metals were detected in 96–100 % of samples, with mean concentrations (mg/kg) following Cu > Cr > Pb > As > Cd > Hg. Dark tea accumulated the highest levels, and district differences reflected environmental contamination, with no significant tea variety × district interaction. Health risk assessment showed non-carcinogenic risks (HI) within acceptable limits for all groups, whereas total carcinogenic risk (TCR) exceeded 1 × 10⁻⁴ in several tea types, particularly among females (Green: 1.34 ×10⁻⁴; Black: 1.25 ×10⁻⁴; Dark: 2.10 ×10⁻⁴) compared with males (Green: 1.16 ×10⁻⁴; Black: 1.08 ×10⁻⁴; Dark: 1.82 ×10⁻⁴), highlighting potential long-term carcinogenic concerns. Arsenic was the main contributor. These findings provide region-specific evidence of Guangzhou tea contamination and demonstrate that the optimized microwave digestion method allows accurate, environmentally considerate heavy metal analysis.

本研究评价了广州地区茶叶中重金属污染及健康风险。采用优化的微波消解方案，用稀释硝酸（~ 42 % HNO₃）消化来自三个地区的50份茶叶样品（绿茶、红茶、乌龙茶和暗茶），实现了完全的基质分解，稳定的回收率（95-110 %），减少了酸的使用。ICP-MS定量As、Cd、Cr、Cu和Pb， Hg采用自动汞分析仪测定。96-100 %的样品中检测到金属，平均浓度（mg/kg）依次为Cu >； Cr >； Pb >； As >； Cd >； Hg。黑茶累积含量最高，地区差异反映了环境污染，茶品种与 地区间不存在显著的交互作用。健康风险评估显示，所有人群的非致癌风险（HI）都在可接受的范围内，而几种茶的总致癌风险（TCR）超过1 × 10⁻⁴，特别是女性（绿色：1.34 ×10⁻⁴；黑色：1.25 ×10⁻⁴；深色：2.10 ×10⁻⁴）与男性（绿色：1.16 ×10⁻⁴；黑色：1.08 ×10⁻⁴；深色：1.82 ×10⁻⁴）相比，突出了潜在的长期致癌问题。砷是主要的贡献者。这些发现提供了广州茶叶污染的区域特异性证据，并表明优化的微波消解方法可以准确，环保地分析重金属。

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引用次数: 0

Development and validation of an analytical method (UHPLC-MS/MS) for the determination of perfluoroalkyl and polyfluoroalkyl substances (PFAS) in honey. 建立和验证了一种测定蜂蜜中全氟烷基和多氟烷基物质（PFAS）的分析方法（UHPLC-MS/MS）。

IF 4.6 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis

Pub Date : 2026-01-21 DOI: 10.1016/j.jfca.2026.108925

Martina Pes , Antonella Rotolo , Giancarla Alberti , Riccardo Magagnato , Leonardo Maria Zapelli , Daniele Merli

Honey, a widely consumed natural product, acts as a bioindicator of environmental contamination because it is produced by bees from nectar collected in polluted flowers. Among contaminants of concern, perfluoroalkyl and polyfluoroalkyl substances (PFAS) are particularly alarming for their persistence, bioaccumulation, and potential adverse health effects. This study presents the validation of a robust analytical UHPLC-MS/MS method designed to detect and quantify 28 PFAS in honey samples. The method demonstrated detection limits of 0,007 – 0,04 ng/mL with precision consistently > 90 % and accuracy ranging from 85 % to 110 %, depending on the specific PFAS and matrix. The analysis of both commercial and non-commercial honey samples revealed the widespread presence of PFAS indicating environmental exposure across diverse sources. Principal Component Analysis (PCA) was used to explore compositional differences between sample types. By providing a validated analytical approach and new data, this work supports improved monitoring of PFAS contamination in honey.

蜂蜜是一种广泛消费的天然产品，它是环境污染的生物指示器，因为它是由蜜蜂从受污染的花朵中采集花蜜生产的。在令人关注的污染物中，全氟烷基和多氟烷基物质（PFAS）因其持久性、生物蓄积性和潜在的不利健康影响而特别令人担忧。本研究建立了一种高效液相色谱-质谱联用（UHPLC-MS/MS）分析方法，用于蜂蜜样品中28种PFAS的检测和定量。该方法的检出限为0,007 ~ 0,04 ng/mL，精密度为>； 90 %，准确度为85 % ~ 110 %，具体取决于特定的PFAS和基质。对商业和非商业蜂蜜样本的分析显示，PFAS广泛存在，表明不同来源的环境暴露。主成分分析（PCA）用于探讨样本类型之间的成分差异。通过提供一种有效的分析方法和新的数据，本工作支持改进蜂蜜中PFAS污染的监测。

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引用次数: 0

Seafood safety concerns: Human health risks from heavy metal bioaccumulation in crustaceans from Cox’s Bazar, Bangladesh 海鲜安全问题：孟加拉国考克斯巴扎尔甲壳类动物重金属生物积累对人类健康的风险

IF 4.6 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis

Pub Date : 2026-01-21 DOI: 10.1016/j.jfca.2026.108928

Mohammad Shakil Khan , Saifuddin Rana , Abdullah Al Mamun , Shahida Arfine Shimul , Antar Sarkar , Sk. Ahmad Al Nahid

Heavy metal contamination in marine organisms threatens both ecosystem health and food safety. This study quantified six metals (Pb, Cd, Cr, Cu, Mn, and As) in muscle tissues of shrimp, crabs, and lobster collected from two landing sites along the Cox’s Bazar coast, Bangladesh. Concentrations were measured using atomic absorption spectrophotometry, and human health risks were evaluated through estimated daily intake (EDI), target hazard quotient (THQ), hazard index (HI), and target cancer risk (TCR). Significant species-specific differences (p < 0.05) were observed, with crabs showing higher accumulation of Cu, Cr, and As, whereas Pb remained consistently lowest across all species. Non-carcinogenic risks assessed by EDI, THQ, and HI values were within safe thresholds for consumers at current intake levels. In contrast, carcinogenic risk estimates for Cd and Cr slightly exceeded thresholds in several species, particularly Portunus pelagicus and P. sanguinolentus. These findings identify crabs as the most critical group requiring targeted monitoring in seafood safety programs. Although overall contamination levels complied with international food safety guidelines, some risk indices approached critical thresholds. This study provides the first integrated assessment of heavy metal contamination in shrimp, crabs, and lobster from Cox’s Bazar, establishing a baseline for seafood safety monitoring in Bangladesh.

海洋生物重金属污染对生态系统健康和食品安全构成威胁。本研究量化了从孟加拉国考克斯巴扎尔海岸的两个登陆点收集的虾、蟹和龙虾肌肉组织中的六种金属（Pb、Cd、Cr、Cu、Mn和As）。使用原子吸收分光光度法测量浓度，并通过估计每日摄入量（EDI）、目标危害商（THQ）、危害指数（HI）和目标癌症风险（TCR）评估人类健康风险。不同物种间存在显著差异（p <； 0.05），螃蟹的Cu、Cr和As积累量较高，而Pb在所有物种中均保持最低水平。通过EDI、THQ和HI值评估的非致癌风险在消费者当前摄入水平的安全阈值范围内。相比之下，对某些物种的Cd和Cr的致癌风险估计略高于阈值，特别是对鲈鱼（Portunus pelagicus）和血螯虾（P. sanguinolentus）。这些发现表明，螃蟹是最关键的群体，需要在海鲜安全计划中进行有针对性的监测。虽然总体污染水平符合国际食品安全准则，但一些风险指数接近临界阈值。这项研究首次对考克斯巴扎尔的虾、蟹和龙虾中的重金属污染进行了综合评估，为孟加拉国的海产品安全监测建立了基线。

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引用次数: 0

Quality and safety assessment of bottled water in Jordan markets 约旦市场瓶装水的质量和安全评估

IF 4.6 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis

Pub Date : 2026-01-21 DOI: 10.1016/j.jfca.2026.108929

Anas Alshishani , Yousef Al-ebini , Maryam Shoai , Diya Alsafadi , Ghaid Hussein , Lena Shaghlil

This study evaluated the quality and safety of 176 different bottled water brands from markets across Jordanian governorates, assessing compliance with WHO/EPA/Jordanian standard (JS) guidelines. Both cupped and bottled packaging formats were evaluated for 10 regular parameters, 56 irregular elements (Li, B, Mg, Al, Si, K, Ca, V, Pd, Ag, Ru, Rh, Se, Mo, Zn, As, Ni, Cu, Mn, Co, Cr, Fe, Cd, Sn, Sb, Ba, Ir, Pt, Hg, Tl, Pb, Bi, Ce, Dy, Eu, Ga, Ge, In, Ir, La, Lu, Nd, Pr, Rb, Sm, Sc, Na, Ta, Te, Tb, Tm, W, Yb, Y, Zr, and bromate), 6 microbiological parameters (total coliforms, E. coli, Pseudomonas aeruginosa, total viable count, yeast and mold, and Salmonella), and 10 pesticides and organic pollutants. The standard Water Quality Index (WQI) may mask zero value. Bacterial override integrates microbiological and chemical risks. Most brands (≈74 %) were classified as “Excellent”, though some samples significantly exceeded guideline limits for contaminants (bromate, nitrite, nitrate, B, Ba, Al, Mg, Se, and Pb). Microbial hazard was significantly higher in cupped water than bottled, primarily due to packaging and handling practices. Spatial analysis revealed notable geographic disparities in water quality, underscoring the need for strengthened monitoring and regulatory oversight.

本研究评估了来自约旦各省市场的176种不同瓶装水品牌的质量和安全性，评估了对世卫组织/环境保护局/约旦标准（JS）指南的遵守情况。杯形的和瓶装包装10正则参数的格式进行评估,56个不规则的元素(Li B, Mg, Al, Si, K, Ca, V, Pd, Ag)、俄文,Rh, Se,密苏里州,锌、,镍、铜、锰、有限公司铬、铁、Cd, Sn,某人,英航,红外光谱、Pt、汞、Tl, Pb, Bi, Ce、Dy,欧盟,Ga,通用电气,Ir,洛杉矶,Lu Nd,公关,Rb, Sm, Sc, Na,助教,Te、结核病、Tm, W, Yb, Y,锆、和溴酸盐),6微生物参数(总大肠菌群、大肠杆菌、绿脓杆菌、总活菌计数,酵母和霉菌、沙门氏菌),10种农药和有机污染物。标准水质指数（WQI）可能会掩盖零值。细菌覆盖整合了微生物和化学风险。大多数品牌（≈74 %）被评为“优秀”，尽管一些样品的污染物（溴酸盐、亚硝酸盐、硝酸盐、B、Ba、Al、Mg、Se和Pb）明显超过了指导限值。杯装水的微生物危害明显高于瓶装水，主要是由于包装和处理方法。空间分析显示，水质的地理差异显著，强调了加强监测和监管的必要性。

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引用次数: 0

Research on the identification of turmeric from different origins based on portable near-infrared spectroscopy combined with chemometrics 基于便携式近红外光谱结合化学计量学的不同产地姜黄鉴别研究

IF 4.6 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis

Pub Date : 2026-01-21 DOI: 10.1016/j.jfca.2026.108927

Zhengtao Wu , Jiaxing Zeng , Yanhui Ye , Erhao Zhang , Zhendong Liu , Xiaozhong Lan , Liang Li

Turmeric is recognized worldwide both as a culinary spice and as an herbal remedy. Studies have reported significant variation in its chemical composition depending on its geographical source. Some suppliers falsely claim premium origins to pass off lower-quality products, driven by profit motives. To address this, there is a growing need for a rapid, practical method to verify the origin of turmeric. In this study, portable near-infrared spectroscopy (NIRS), combined with various chemometric methods, was used to identify turmeric from 9 different regions. The local outlier factor (LOF) method outperformed for detecting and removing outliers. Among preprocessing techniques, the first derivative (D1) method achieved the highest accuracy of 67.15% during testing. The k-nearest neighbor (KNN) algorithm delivered superior performance with a test accuracy of 86.35%. Competitive adaptive reweighted sampling (CARS) proved to be the most effective dimensionality reduction tool, maintaining a test accuracy of 96.77%. Among the optimization techniques, the Goose Optimization (GO) algorithm yielded the most robust results, achieving 100% accuracy across trainingand test metrics. The integration of portable NIRS with the LOF-D1-CARS-GO-KNN strategy presents a powerful, scientifically reliable approach for tracing the geographical origin of turmeric, thereby ensuring product authenticity and quality.

姜黄是世界公认的烹饪香料和草药。研究报告说，根据其地理来源的不同，其化学成分有很大差异。在利润动机的驱使下，一些供应商谎称优质原产地，以假冒劣质产品。为了解决这个问题，人们越来越需要一种快速、实用的方法来验证姜黄的来源。本研究采用便携式近红外光谱（NIRS），结合多种化学计量学方法，对9个不同地区的姜黄进行了鉴定。局部离群因子（LOF）方法在检测和去除离群值方面具有较好的效果。在预处理技术中，一阶导数（D1）法在测试中准确率最高，达到67.15%。k-最近邻（KNN）算法的测试准确率为86.35%。竞争自适应重加权抽样（CARS）被证明是最有效的降维工具，保持了96.77%的测试准确率。在优化技术中，Goose optimization （GO）算法产生了最稳健的结果，在训练和测试指标中实现了100%的准确率。将便携式近红外光谱仪与LOF-D1-CARS-GO-KNN策略相结合，为追踪姜黄的地理来源提供了一种强大、科学可靠的方法，从而确保了产品的真实性和质量。

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引用次数: 0

Development and optimization of an effective method for the analysis of chloropropanols and their fatty acid esters in Chongqing hotpot base 重庆火锅底料中氯丙醇及其脂肪酸酯有效分析方法的建立与优化

IF 4.6 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis

Pub Date : 2026-01-21 DOI: 10.1016/j.jfca.2026.108926

Hang Long , Lidan Niu , Ying Li , Jingrong Chen , Fengqiong Chen , Yuhan He , Shihan Xu , Yixiang Liu , Xiao Xu , Jie Zheng

Chloropropanols and their fatty acid esters, particularly 3-monochloropropane-1,2-diol (3-MCPD), are contaminants produced by heating in high-fat foods, such as Chongqing hotpot base, and pose reproductive toxicity and carcinogenicity risks. Their quantitative analysis is challenging due to the complex composition of oils and spices. Here, we developed a sensitive isotope dilution gas chromatography-mass spectrometry (ID-GC-MS) method with an optimized pretreatment process, including modified melting and filtration, refined nitrogen evaporation, and centrifugation after derivatization. This method demonstrated excellent linearity (R² ≥ 0.999), high recoveries (97.27–118.20 %), precision (RSD ≤ 14.93 %), and extremely low limits of detection and quantification (LODs and LOQs) (0.04–2.25 μg/L and 0.13–7.50 μg/L), surpassing previous methods. This method was applied to 12 hotpot base samples, and analysis of different production steps confirmed that processing temperature, time, and ingredients significantly influence the formation of chloropropanol esters. This validated method helps to systematically monitor and improve food safety.

氯丙醇及其脂肪酸酯，特别是3-一氯丙烷-1,2-二醇（3-MCPD），是重庆火锅底料等高脂肪食品加热产生的污染物，具有生殖毒性和致癌性风险。由于油和香料的复杂成分，他们的定量分析具有挑战性。在此，我们建立了一种灵敏的同位素稀释气相色谱-质谱（ID-GC-MS）方法，并优化了预处理工艺，包括改良熔融过滤、精制氮蒸发和衍生化后的离心。该方法线性良好（R²≥0.999），回收率高（97.27 ~ 118.20 %），精密度高（RSD≤14.93 %），检出限和定量限极低（lod和loq分别为0.04 ~ 2.25 μg/L和0.13 ~ 7.50 μg/L），优于现有方法。该方法应用于12个火锅底料样品，通过对不同生产步骤的分析，证实了加工温度、时间和配料对氯丙醇酯的形成有显著影响。该验证方法有助于系统地监测和改进食品安全。

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