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Development of Simple Method for Multi-elemental Determination of Inorganic Elements in Handmade Chocolate Employing Extraction Induced by Emulsion Breaking and MIP OES 利用破乳萃取和 MIP OES 开发测定手工巧克力中无机元素的简便方法
IF 2.6 3区 农林科学 Q2 FOOD SCIENCE & TECHNOLOGY Pub Date : 2024-09-07 DOI: 10.1007/s12161-024-02674-x
Geovana B. Guimarães, Leonardo B. Guimarães, Julia C. Romero, Sheylla M. S. Queiroz, Daniel C. Lima, Luana N. Santos, Erik G. P. da Silva, Raildo M. de Jesus, Fábio S. Dias, Fábio G. Lepri, Allison G. Silva, Fábio Alan C. Amorim

The objective of this work was the multi-element determination of Ca, Zn, Sr, Ba, Cu, Mn, Mg, and Cr in handmade chocolate samples after extraction induced by emulsion breakage (EIEB) using optical emission spectrometry with plasma induced by microwaves (MIP OES). After study of each parameter, the most efficient extraction conditions were obtained using 0.250 g of sample, 5.0 mL of extraction solution consisting of HNO3 1.5 mol L−1 and Tween 80 1.5% m/v, submitted to an ultrasonic bath for 5 min, followed by breaking the emulsion by heating at 90 °C in a water bath for 4 min. The detection limits obtained, in mg kg−1, were 0.35 (Cr), 0.013 (Zn), 0.064 (Sr), 0.083 (Ca), 0.46 (Fe), 0.010 (Ba), 0.099 (Cu), 0.016 (Mg), and 0.036 (Mn). Precision, based on the relative standard deviation (RSD%), was less than 9.8% (N = 7). The accuracy was confirmed by analyzing the SRM Baking Chocolate 2384 and comparing the proposed method with a calcination method. The method was applied to samples of chocolate bars made in the southern region of Bahia and containing cocoa contents at 50, 58, 60, 63, 70, 80, and 85%. The average results obtained were 328 to 1424 mg kg−1 (Ca), 561 to 2152 mg kg−1 (Mg), 7.8 to 251 mg kg−1 (Cu), 8.5 to 304 mg kg−1 (Mn), 6.22 to 98.32 mg kg−1 (Fe), 8.38 to 80.2 mg kg−1 (Zn), 3.4 to 175 mg kg−1 (Ba), and 2.15 to 12.79 mg kg−1 (Sr). It was observed that as the percentage increases cocoa, there is a tendency to increase the concentration of the studied elements. The developed method has satisfactory precision and accuracy, and is simple, fast and with low consumption of reagents, has good sensitivity, especially when compared to digestion methods.

本研究的目的是利用微波诱导等离子体光学发射光谱法(MIP OES)测定手工巧克力样品中经破乳萃取(EIEB)后的钙、锌、锶、钡、铜、锰、镁和铬的多元素含量。在对各参数进行研究后,得出了最有效的萃取条件:取 0.250 克样品,加入 5.0 mL 由 1.5 mol L-1 的 HNO3 和 1.5% m/v 的吐温 80 组成的萃取液,在超声波浴中浸泡 5 分钟,然后在 90 °C 的水浴中加热破乳 4 分钟。检测限(毫克/千克-1)分别为 0.35(铬)、0.013(锌)、0.064(锶)、0.083(钙)、0.46(铁)、0.010(钡)、0.099(铜)、0.016(镁)和 0.036(锰)。根据相对标准偏差 (RSD%) 计算的精确度低于 9.8%(N = 7)。通过分析 SRM 烘焙巧克力 2384,并将所建议的方法与煅烧法进行比较,证实了该方法的准确性。该方法适用于巴伊亚州南部地区生产的巧克力棒样品,可可含量分别为 50、58、60、63、70、80 和 85%。平均结果为:328 至 1424 毫克/千克-1(钙)、561 至 2152 毫克/千克-1(镁)、7.8 至 251 毫克/千克-1(铜)、8.5 至 304 毫克/千克-1(锰)、6.22 至 98.32 毫克/千克-1(铁)、8.38 至 80.2 毫克/千克-1(锌)、3.4 至 175 毫克/千克-1(钡)和 2.15 至 12.79 毫克/千克-1(锶)。据观察,随着可可比例的增加,所研究元素的浓度也呈上升趋势。所开发的方法具有令人满意的精确度和准确度,而且简单、快速、试剂消耗少、灵敏度高,特别是与消化法相比。
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引用次数: 0
Rapid Determination of Acrylamide by HILIC-MS/MS in Selected Food Samples 利用 HILIC-MS/MS 快速测定部分食品样品中的丙烯酰胺含量
IF 2.6 3区 农林科学 Q2 FOOD SCIENCE & TECHNOLOGY Pub Date : 2024-09-06 DOI: 10.1007/s12161-024-02676-9
Sanja Đekić, Isidora Kecojević, Biljana Bajić, Ana Joksimović, Mila Ilić, Aleksandar Lolić, Rada Baošić

A simple, rapid, and robust hydrophilic interaction liquid chromatography–tandem mass spectrometry method has been applied for the determination of acrylamide in bread, potato-based heat-processed products, and cereal-based infant food. The QuEChERS methodology was used for sample extraction and clean-up. Enzyme asparaginase was used to prepare an acrylamide-free bread-like matrix, thereby eliminating the lack of acrylamide-free food matrices as one of the limitations for method development and validation. The obtained linear range was 10–2500 µg/kg, and the limit of detection and the limit of quantification were 2.71 and 10.0 μg/kg (S/N = 3 and 10, respectively). The developed method demonstrated good recoveries (98.9–102.8%), intra-day (2.1–3.8%), and inter-day precision (2.9–4.0%). The acrylamide was found in all samples; the concentrations were lower than benchmark levels set by the European Union. In the baby food sample, the AA concentrations were below the limit of quantification (10 µg/kg), and the benchmark level set by the European Union is 40 µg/kg.

一种简单、快速、稳健的亲水作用液相色谱-串联质谱法被用于测定面包、马铃薯热加工产品和谷类婴儿食品中的丙烯酰胺。样品提取和净化采用 QuEChERS 方法。利用天冬酰胺酶制剂制备了不含丙烯酰胺的面包样基质,从而解决了方法开发和验证过程中缺乏不含丙烯酰胺的食品基质的问题。该方法的线性范围为10-2500 μg/kg,检出限和定量限分别为2.71 μg/kg和10.0 μg/kg(信噪比分别为3和10)。该方法的回收率为 98.9%-102.8%,日内精密度为 2.1%-3.8%,日间精密度为 2.9%-4.0%。所有样品中都检出了丙烯酰胺,其浓度低于欧盟规定的基准水平。婴儿食品样本的丙烯酰胺含量低于定量限(每公斤 10 微克),而欧盟规定的基准含量为每公斤 40 微克。
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引用次数: 0
Identification of Flavonoid from Wolfberry (Lycium barbarum) by Using Two-Step Chromatography and Bioactivity Exploration 利用两步色谱法鉴定枸杞中的黄酮类化合物并探索其生物活性
IF 2.6 3区 农林科学 Q2 FOOD SCIENCE & TECHNOLOGY Pub Date : 2024-09-06 DOI: 10.1007/s12161-024-02672-z
Chuang Liu, Qilan Wang, Yuqing Lei, A. M. Abd El-Aty, Gong Zhang

Wolfberry (Lycium barbarum) has a nearly thousand-year history of medicinal and dietary use in China. The separation methodology of its bioactive components has always received much attention. In this study, the free radical scavenging activity of each fraction of wolfberry was assessed via a DPPH assay, after which a high-purity free radical inhibitor (rutin) was prepared directly from wolfberry via a two-step chromatographic process (MCI GEL® CHP20P and Sephadex® LH-20 columns). The potential molecular interactions between rutin and target proteins (SREBP-1, HMGCR, AKT1, ACC, AMPK, PPAR, LPL, TNF-α, and FAS) were explored using computer simulation; among these interactions, TNF-α exhibited a strong binding affinity for rutin (-9.49 kcal/mol). In conclusion, these findings provide deeper insights into the bioactivity of wolfberry and advance the study of quality control systems for wolfberry. Moreover, it also provides a potential chromatographic option for future functional food research.

枸杞子(Lycium barbarum)在中国有近千年的药用和食疗历史。其生物活性成分的分离方法一直备受关注。本研究通过 DPPH 法评估了枸杞各馏分的自由基清除活性,然后通过两步色谱法(MCI GEL® CHP20P 和 Sephadex® LH-20 色谱柱)直接从枸杞中制备出高纯度的自由基抑制剂(芦丁)。利用计算机模拟探索了芦丁与目标蛋白(SREBP-1、HMGCR、AKT1、ACC、AMPK、PPAR、LPL、TNF-α 和 FAS)之间潜在的分子相互作用;在这些相互作用中,TNF-α 与芦丁的结合亲和力很强(-9.49 kcal/mol)。总之,这些发现有助于深入了解枸杞的生物活性,并推进枸杞质量控制系统的研究。此外,它还为未来的功能食品研究提供了一种潜在的色谱选择。
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引用次数: 0
Improving Citrus Fruit Classification with X-ray Images Using Features Enhanced Vision Transformer Architecture 利用特征增强型视觉变换器架构改进利用 X 射线图像进行柑橘类水果分类的工作
IF 2.6 3区 农林科学 Q2 FOOD SCIENCE & TECHNOLOGY Pub Date : 2024-09-05 DOI: 10.1007/s12161-024-02654-1
Syed Mudassir Raza, Awais Raza, Mohamed Ibrahim Abdallh Babeker, Zia-Ul Haq, Muhammad Adnan Islam, Shanjun Li

Quality assessment is a cornerstone of fruit production and distribution, particularly regarding storage conditions and duration. Citrus fruits, a staple in global consumption patterns, are the ultimate example. This study employs a nondestructive analytical technique, X-ray computed tomography (CT) scanning, to meticulously analyze a substantial sample of 300 citrus fruits, specifically satsuma, subjected to both ambient (20–22 °C, 50–60% humidity) and refrigeration conditions (6–8 °C, 65–75% humidity). The experiment was conducted through a methodologically rigorous approach, stratified dataset splitting, allocating 60% of the X-ray datasets for training, with 20% dedicated to validation and testing, respectively. The proposed research introduces a pioneering methodology termed features enhanced vision transformer (FEViT), meticulously designed to augment precision in citrus fruit classification and more precise freshness level prediction via X-ray image analysis. Our empirical findings unequivocally demonstrate the superior efficacy of FEViT models vis-a-vis conventional ViT counterparts across new X-ray citrus fruit datasets. Particularly noteworthy are the marked performance gains exhibited by FEViT-large variants, evidenced by notable increases in precision (5.08%), accuracy (5.47%), recall (4.55%), and F1 scores (5.28%) over original variants. This underscores the distinguishable enhanced discriminatory prowess of FEViT models in assessing citrus fruit quality in terms of freshness. Extensive validation through rigorous experimentation ratifies FEViT’s supremacy over traditional deep learning architectures, affirming heightened accuracy (99.25%). The current study heralds the advent of FEViT architecture as a milestone in citrus fruit (satsuma) freshness prediction, promising augmented accuracy and robustness vis-a-vis extant methodologies. This research holds profound implications for the agricultural sector, especially in domains such as citrus and broader fruit classification, where nuanced image analysis is indispensable for quality attribute like freshness evaluation and informed decision-making.

质量评估是水果生产和销售的基石,特别是在贮藏条件和期限方面。全球消费模式中的主食--柑橘类水果就是最好的例子。本研究采用 X 射线计算机断层扫描(CT)这一无损分析技术,对 300 个柑橘类水果(特别是沙糖桔)的大量样本进行了细致分析,这些样本分别置于环境(20-22 °C,湿度 50-60%)和冷藏条件(6-8 °C,湿度 65-75%)下。实验采用了方法严谨的分层数据集分割法,将 60% 的 X 射线数据集用于训练,20% 分别用于验证和测试。这项研究提出了一种名为 "特征增强视觉转换器"(FEViT)的开创性方法,旨在通过 X 射线图像分析提高柑橘类水果分类的精度和更精确的新鲜度预测。在新的 X 射线柑橘类水果数据集上,我们的实证研究结果毫不含糊地证明了 FEViT 模型相对于传统 ViT 模型的卓越功效。尤其值得注意的是,FEViT 大变体表现出明显的性能提升,与原始变体相比,精确度(5.08%)、准确度(5.47%)、召回率(4.55%)和 F1 分数(5.28%)均有显著提高。这凸显了 FEViT 模型在评估柑橘类水果新鲜度质量方面明显增强的鉴别能力。通过严格的实验进行广泛的验证,确认了 FEViT 相对于传统深度学习架构的优越性,肯定了其更高的准确率(99.25%)。当前的研究预示着 FEViT 架构的出现,它是柑橘类水果(萨摩)新鲜度预测领域的一个里程碑,与现有方法相比,有望提高准确性和鲁棒性。这项研究对农业领域有着深远的影响,尤其是在柑橘和更广泛的水果分类等领域,在这些领域中,细微的图像分析对于新鲜度评估和知情决策等质量属性是不可或缺的。
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引用次数: 0
Identification of Adulteration in Jiang-Flavor Chinese Spirits with Edible Alcohol Based on UPLC-Q-TOF/MS Combined with Metabolomics 基于UPLC-Q-TOF/MS与代谢组学的江鲜白酒食用酒精掺假鉴定
IF 2.6 3区 农林科学 Q2 FOOD SCIENCE & TECHNOLOGY Pub Date : 2024-09-05 DOI: 10.1007/s12161-024-02664-z
Zumao Peng, Xi Chen, Jian Zhang, Xiaodong Peng, Tianshun Cao, Feilong Shao, Yiqian Ma, Qi Wang, Qian Zhang, Yuanyu Lu

To combat the fraudulent practice of adulterating Jiang-flavor Chinese spirits with edible alcohol, this study proposes the use of UPLC-Q-TOF/MS combined with metabolomics (ultra-performance liquid chromatography with time-of-flight high-resolution mass spectrometry) analysis to investigate the differential components between authentic Jiang-flavor Chinese spirits and those adulterated with edible alcohol. A total of 175 compounds were identified in both authentic and adulterated samples, of which 74 compounds showed significant differences (p < 0.01, fold change > 5), including acids, esters, aldehydes, ketones, alcohols, and heterocyclic compounds. OPLS-DA analysis revealed a clear distinction between authentic Jiang-flavor Chinese spirits and those adulterated with edible alcohol, with Q2 and R2Y values both above 0.9 and greater than 0.5, indicating that the model is stable and reliable for the identification of adulteration in Jiang-flavor Chinese spirits.

为打击在江鲜酒中掺入食用酒精的欺诈行为,本研究采用UPLC-Q-TOF/MS结合代谢组学(超高效液相色谱-飞行时间高分辨质谱)分析方法研究了正宗江鲜酒与掺入食用酒精的江鲜酒之间的差异成分。在正宗和掺假样品中共鉴定出175种化合物,其中74种化合物有显著差异(p < 0.01,折合变化> 5),包括酸类、酯类、醛类、酮类、醇类和杂环化合物。OPLS-DA分析表明,正宗江味白酒与掺杂食用酒精的江味白酒有明显的区别,Q2和R2Y值均大于0.9和0.5,表明该模型在鉴别江味白酒掺假方面是稳定可靠的。
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引用次数: 0
Determination of Some Element’s Migrants in Aqueous Simulant from Plastic Food Contact Products by Inductively Coupled Plasma Mass Spectrometer 利用电感耦合等离子体质谱仪测定塑料食品接触产品水基模拟液中的某些元素迁移量
IF 2.6 3区 农林科学 Q2 FOOD SCIENCE & TECHNOLOGY Pub Date : 2024-09-03 DOI: 10.1007/s12161-024-02666-x
Mahmoud M. Ghuniem

Various chemicals present at different stages in the food supply chain can lead to the leaching of heavy metals. These metals can accumulate in the human body through the consumption of contaminated food. Consequently, it is necessary to validate an analytical technique for the quantification chemical that could contaminate food. This study presents a rapid, straightforward, and efficient analytical method for the direct quantification of some potentially toxic elements in aqueous simulants from plastic food contact products using an inductively coupled mass spectrometer (ICP-MS). The method’s validation encompassed the study of the estimated detection limits, practical quantification limits, linearity, accuracy, and measurement uncertainty of aluminium (Al), antimony (Sb), arsenic (As), cadmium (Cd), chromium (Cr), cobalt (Co), copper (Cu), iron (Fe), lead (Pb), manganese (Mn), nickel (Ni), and zinc (Zn) under optimized ICP-MS conditions. The estimated detection limits ranged from 7.5 × 10−4 to 0.074 mg/kg, while practical quantification limits spanned from 0.02 to 0.8 mg/kg. The average recoveries ± standard deviations at different spiking levels were varied between 85.7 ± 1.51 and 115.6 ± 0.88% with coefficients of variation between 0.42 and 5.85%. The method trueness was verified by using references materials (test material in aqueous acetic acid) purchased from Food Chemistry Proficiency Testing and Analysis (FAPAS) yielding satisfactory results within acceptable recovery and Z-score values. The method precision, in terms of relative standard deviation (RSD), was being below 4.22%. The method uncertainty expressed as expanded uncertainty of all validated elements was found to be ≤ 21.9%. Validated method was employed to determine specific elements in aqueous simulants of thirty commercial plastic food packaging samples, representing three distinct types of plastic polymers. The results showed that the mean concentrations, in mg/kg, were as follows: 2.04 (Al), 0.02 (As), 0.02 (Cd), 0.02 (Co), 0.06 (Cr), 0.41 (Cu), 1.55 (Fe), 0.09 (Mn), 0.15 (Ni), 0.07 (Pb), 0.05 (Sb), and 0.81 (Zn). Furthermore, 30% of analyzed samples exceeding the maximum permissible limits of Al for plastic materials and articles intended to come into contact with food.

存在于食品供应链不同阶段的各种化学物质会导致重金属的沥滤。这些金属会通过食用受污染的食物在人体内积累。因此,有必要验证一种用于量化可能污染食品的化学物质的分析技术。本研究提出了一种快速、直接、高效的分析方法,利用电感耦合质谱仪(ICP-MS)直接定量检测塑料食品接触产品水性模拟物中的一些潜在有毒元素。该方法的验证包括在优化的 ICP-MS 条件下研究铝 (Al)、锑 (Sb)、砷 (As)、镉 (Cd)、铬 (Cr)、钴 (Co)、铜 (Cu)、铁 (Fe)、铅 (Pb)、锰 (Mn)、镍 (Ni) 和锌 (Zn) 的估计检测限、实际定量限、线性、准确度和测量不确定性。估计检出限为 7.5 × 10-4 至 0.074 mg/kg,实际定量限为 0.02 至 0.8 mg/kg。不同加标水平下的平均回收率为 85.7 ± 1.51% 至 115.6 ± 0.88%,变异系数为 0.42 至 5.85%。使用从食品化学能力测试和分析(FAPAS)购买的参考材料(醋酸水溶液中的测试材料)验证了该方法的准确性,结果令人满意,回收率和Z-score值均在可接受范围内。以相对标准偏差(RSD)表示的方法精密度低于 4.22%。以所有验证元素的扩展不确定度表示的方法不确定度小于 21.9%。采用经过验证的方法测定了 30 个商用塑料食品包装样品(代表三种不同类型的塑料聚合物)的水基模拟物中的特定元素。结果表明,平均浓度(毫克/千克)如下2.04(铝)、0.02(砷)、0.02(镉)、0.02(钴)、0.06(铬)、0.41(铜)、1.55(铁)、0.09(锰)、0.15(镍)、0.07(铅)、0.05(锑)和 0.81(锌)。此外,30% 的分析样品中的铝含量超过了塑料材料和与食品接触的物品的最大允许限值。
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引用次数: 0
An Improved Ensemble Learning Method for Protein Content Analysis of Corn with Small Sample by Near-Infrared Spectroscopy 利用近红外光谱分析小样本玉米蛋白质含量的改进型集合学习方法
IF 2.6 3区 农林科学 Q2 FOOD SCIENCE & TECHNOLOGY Pub Date : 2024-08-26 DOI: 10.1007/s12161-024-02669-8
Jing Liu, Shaohui Yu

Near-infrared spectroscopy has become an important methodology for rapid and non-destructive detection in food and agricultural fields. However, the accuracy of quantitative analysis was seriously restricted by the severe overlap of spectra and the high cost of standard samples. In order to reduce the impact of these problems especially that of small sample size problem, a novel method named weighted clustering ensemble partial least squares (WCE-PLS) is proposed for the protein content analysis of corn. Firstly, the clustering and sampling strategy is introduced in the calibration sets of corn to create different subsets for generating sub-models. Then, root mean square errors of cross-validation (RMSECV) in those sub-models as the crucial criterion are computed for model optimization. Finally, in integrating step, two Gaussian weighted functions used to determine the weights of sub-models are defined. The validation performance of the proposed method is tested with the near infrared spectral data sets of corn and compared with single PLS, bagging PLS, boosting PLS, and data augmentation (DA) PLS. To further demonstrate the effectiveness of the method, another data set of soil was used for supplementary verification. Results of the prediction sets indicated that the RMSEP values of the WCE-PLS are obviously smaller than that of boosting PLS. And the RMSEP of WCE-PLS and bagging PLS is relatively small in most cases. Furthermore, the correlation coefficients between predicted value and chemical value are respectively 0.96587 and 0.90849 for two data sets, which computed by the WCE-PLS is obviously higher than that computed by the other four methods. And the t test also showed the WCE-PLS has smaller t values and larger p values.

近红外光谱技术已成为食品和农业领域快速、无损检测的重要方法。然而,光谱的严重重叠和标准样品的高成本严重限制了定量分析的准确性。为了减少这些问题的影响,特别是小样本量问题的影响,提出了一种用于玉米蛋白质含量分析的新型方法,即加权聚类集合偏最小二乘法(WCE-PLS)。首先,在玉米定标集中引入聚类和抽样策略,创建不同的子集以生成子模型。然后,计算这些子模型的交叉验证均方根误差(RMSECV)作为模型优化的关键标准。最后,在整合步骤中,定义了两个用于确定子模型权重的高斯加权函数。利用玉米的近红外光谱数据集测试了所提方法的验证性能,并将其与单一 PLS、bagging PLS、boosting PLS 和数据增强(DA)PLS 进行了比较。为了进一步证明该方法的有效性,还使用了另一个土壤数据集进行补充验证。预测集的结果表明,WCE-PLS 的 RMSEP 值明显小于提升 PLS。而且,在大多数情况下,WCE-PLS 和装袋 PLS 的 RMSEP 值也相对较小。此外,两组数据的预测值与化学值的相关系数分别为 0.96587 和 0.90849,WCE-PLS 计算出的相关系数明显高于其他四种方法计算出的相关系数。而 t 检验也表明 WCE-PLS 的 t 值较小,p 值较大。
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引用次数: 0
Rapid Detection of Acids and Esters in Chinese Liquor by Fourier Transform Infrared Spectroscopy with Difference Spectroscopy 利用傅立叶变换红外光谱和差分光谱快速检测中国白酒中的酸和酯类物质
IF 2.6 3区 农林科学 Q2 FOOD SCIENCE & TECHNOLOGY Pub Date : 2024-08-20 DOI: 10.1007/s12161-024-02670-1
Yixuan Guo, Nisar Ullah, Jialin Bai, Zhiqiang Wang, Ruiting Zhang, Lin Ma, Ke Lin

Although acids and esters are the trace chemical compounds in Chinese liquor, they affect primarily the flavor and quality of Chinese liquor. The detection of these compounds is important for the control of Chinese liquor. FTIR spectroscopy has gradually been used to detect Chinese liquor in recent years, but this technology has not been directly employed to measure the infrared spectra of acids and esters in Chinese liquor. In this paper, novel FTIR difference spectroscopy is proposed to extract the infrared spectra of acids and esters in Chinese liquor. This difference spectrum is mainly obtained by subtracting the FTIR spectra of aqueous ethanol from that of Chinese liquor. The FTIR spectra of some kinds of Chinese liquor were measured, and it was found that three vibrational peaks at ~ 1260 cm−1, ~ 1377 cm−1, and ~ 1710 cm−1, which were also observed in the infrared spectra of acids and esters in Chinese liquor, were obtained. The flavor of Chinese liquor can be distinguished through the difference spectra. Since the acquisition of FTIR spectra only takes less than 1 min, this FTIR difference spectrum can be developed as a quick control method for Chinese liquor.

虽然酸和酯是中国白酒中的微量化合物,但它们主要影响中国白酒的风味和质量。检测这些化合物对中国白酒的控制非常重要。近年来,傅立叶变换红外光谱技术已逐渐用于中国白酒的检测,但该技术尚未被直接用于测量中国白酒中酸和酯的红外光谱。本文提出了一种新颖的傅立叶变换红外差分光谱法来提取中国白酒中酸和酯的红外光谱。这种差分光谱主要通过从中国白酒的傅立叶变换红外光谱中减去乙醇水溶液的傅立叶变换红外光谱来获得。测量了一些中国白酒的傅立叶变换红外光谱,发现在 ~ 1260 cm-1、~ 1377 cm-1 和 ~ 1710 cm-1 处有三个振动峰,这三个振动峰在中国白酒中的酸和酯的红外光谱中也能观察到。通过光谱差异可以区分中国白酒的风味。由于傅立叶变换红外光谱的采集只需不到 1 分钟的时间,因此这种傅立叶变换红外差分光谱可作为中国白酒的一种快速控制方法。
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引用次数: 0
Determination of Bioactive Compounds in Buriti Oil by Prediction Models Through Mid-infrared Spectroscopy 通过中红外光谱预测模型测定布里提油中的生物活性化合物
IF 2.6 3区 农林科学 Q2 FOOD SCIENCE & TECHNOLOGY Pub Date : 2024-08-19 DOI: 10.1007/s12161-024-02658-x
Braian Saimon Frota da Silva, Nelson Rosa Ferreira, Renan Campos Chisté, Cláudio Nahum Alves

Buriti oil is a vegetable oil extracted from the pulp and seeds of buriti (Mauritia flexuosa L.), a palm commonly found in the Amazon region, and is used both in popular medicine and in the cosmetic and food industries. This work aimed to develop a faster and more accessible procedure to quantify the content of carotenoids, polyphenols, and total flavonoids in buriti oils, where predictive models emphasize figures of merit. The study was carried out with 50 buriti oil samples from the state of Pará, Brazil, which were sampled by combining attenuated total reflection (ATR) spectroscopy with mid-infrared Fourier transform (FT-MIR) together with partial least squares regression (PLSR). The confidence and validation matrix were obtained from ultraviolet–visible spectroscopy. The PLSR model regarding the total carotenoid content presented values ​​between 335.33 and 1557.05 μg/g was validated by the concentration demonstration coefficient (R2cal) equal to 0.9556, prediction demonstration coefficient (R2pred) equal to 0.85642, bias = 5.68.10−13, performance deviation ratio value (RDP) of 2.0135, and range error rate (RER) equal to 4.3747. Concentrations of phenolic compounds were predicted between 96.2964 and 121.857 GAE/100 g, where the model presented R2cal = 0.9762, R2pred = 0.8198, bias = 3.38.10−10, RDP = 5.9028, and RER = 5.7578. The flavonoid prediction model contains concentrations between 86.844 and 133.852 mg EC/100 g that circulate R2cal = 0.9445, R2pred = 0.8536, bias = 6.98.10−8, RDP = 6.7085, and RER = 6.7085. Buriti oil showed high levels of b-carotene. Prediction models are overwhelming and can be used for screening and quality control of natural products.

布里蒂油是从布里蒂(Mauritia flexuosa L.)的果肉和种子中提取的一种植物油,布里蒂是一种常见于亚马逊地区的棕榈树,既可用于大众医药,也可用于化妆品和食品工业。这项工作旨在开发一种更快、更方便的程序,以量化布里蒂油中类胡萝卜素、多酚和总黄酮的含量,其中预测模型强调了优点数字。这项研究使用了 50 份来自巴西帕拉州的布里蒂油样本,通过结合衰减全反射(ATR)光谱法和中红外傅里叶变换(FT-MIR)以及偏最小二乘回归(PLSR)对样本进行了分析。置信矩阵和验证矩阵来自紫外可见光谱。关于类胡萝卜素总含量的 PLSR 模型,其值介于 335.33 和 1557.05 μg/g 之间,浓度证明系数 (R2cal) 为 0.9556,预测证明系数 (R2pred) 为 0.85642,偏差 = 5.68.10-13,性能偏差比值 (RDP) 为 2.0135,范围误差率 (RER) 为 4.3747。酚类化合物的预测浓度介于 96.2964 和 121.857 GAE/100 g 之间,模型的 R2cal = 0.9762,R2pred = 0.8198,偏差 = 3.38.10-10,RDP = 5.9028,RER = 5.7578。黄酮类化合物预测模型包含的浓度在 86.844 至 133.852 毫克 EC/100 克之间,循环 R2cal = 0.9445,R2pred = 0.8536,偏差 = 6.98.10-8,RDP = 6.7085,RER = 6.7085。布里蒂油中含有大量的 b-胡萝卜素。预测模型具有压倒性优势,可用于天然产品的筛选和质量控制。
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引用次数: 0
A Sustainable Nanomaterial Based on Gold Nanoparticles and Graphene for Highly Sensitive Electrochemical Sensing of Caffeic Acid in Coffees 一种基于金纳米颗粒和石墨烯的可持续纳米材料,用于高灵敏度电化学检测咖啡中的咖啡酸
IF 2.6 3区 农林科学 Q2 FOOD SCIENCE & TECHNOLOGY Pub Date : 2024-08-17 DOI: 10.1007/s12161-024-02668-9
Diogo Emanoel Felix dos Santos, Luan Gabriel Baumgarten, Eduardo Constante Martins, Juliana Priscila Dreyer, Edson Roberto Santana, João Paulo Winiarski, Iolanda Cruz Vieira

Caffeic acid contributes to the flavor and aroma of coffee. Monitoring its levels can be important to guarantee the quality of the coffee produced. An innovative electrochemical sensor for the determination of caffeic acid was developed using banana pulp (Musa sapientum) extract as the precursor for the green synthesis of gold nanoparticles. Microscopic images verified the presence of dispersed gold nanoparticles, with an average diameter of 14.4 ± 2.5 nm on graphene sheets. The electrochemical behavior of caffeic acid demonstrated reversibility, with oxidation and reduction peaks. Under optimized conditions, a calibration curve was developed in 0.1 mol L−1 Britton-Robinson buffer (pH 2.0) with linear range from 0.05 to 10.0 µmol L−1, and a detection limit of 16 nmol L−1. The sensor was effective in coffee samples, and the results were comparable to those obtained using UV–vis spectrometry.

Graphical Abstract

咖啡酸有助于咖啡的风味和香气。监测咖啡酸的含量对于保证咖啡的质量非常重要。利用香蕉果肉(Musa sapientum)提取物作为绿色合成金纳米粒子的前体,开发了一种用于测定咖啡酸的创新电化学传感器。显微图像验证了石墨烯片上存在平均直径为 14.4 ± 2.5 nm 的分散金纳米粒子。咖啡酸的电化学行为显示出可逆性,存在氧化峰和还原峰。在优化条件下,在 0.1 mol L-1 Britton-Robinson 缓冲液(pH 2.0)中绘制了校准曲线,线性范围为 0.05 至 10.0 µmol L-1,检测限为 16 nmol L-1。该传感器对咖啡样品有效,检测结果与紫外-可见光谱法的结果相当。
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引用次数: 0
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Food Analytical Methods
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