Pesticide residues in grapes are usually transferred into the wine during vinification and thus, contribute to a certain human exposure. The objective of the present study was to explore whether spiked samples could be a suitable alternative to the still mandatory field-treated samples in the processing study set-up. Grapes treated with fluxapyroxad in the vineyard and untreated grapes spiked with fluxapyroxad after harvest were processed into wine to check for differences in residual fluxapyroxad. Additionally, the behavior of 13 further pesticides during winemaking was characterized using spiked samples. Grape, must, pomace, and wine samples were analyzed by LC-MS/MS following a QuEChERS extraction protocol. The transfer of fluxapyroxad into wine from field-treated and spiked samples was found to be similar, with processing factors (PF) of 0.31 and 0.33, respectively. A strong correlation between PF and the octanol-water partition coefficient (logKOW) was identified for 13 of the 14 pesticides present in the spiked samples (R2 = 0.89, p < 0.0001). Determined PF were compared with values from the European database of processing factors for pesticides in food, which originate from field-treated samples. No significant differences were found, indicating that field-treated samples are not an absolute necessity for investigating the transfer of pesticides into wine.
{"title":"Transfer of fourteen pesticides from grapes (Vitis vinifera) into wine – Comparison of spiked grapes with grapes treated in the field","authors":"Arno Kittelmann , Carola Müller , Sascha Rohn , Britta Michalski","doi":"10.1016/j.jfca.2024.106999","DOIUrl":"10.1016/j.jfca.2024.106999","url":null,"abstract":"<div><div>Pesticide residues in grapes are usually transferred into the wine during vinification and thus, contribute to a certain human exposure. The objective of the present study was to explore whether spiked samples could be a suitable alternative to the still mandatory field-treated samples in the processing study set-up. Grapes treated with fluxapyroxad in the vineyard and untreated grapes spiked with fluxapyroxad after harvest were processed into wine to check for differences in residual fluxapyroxad. Additionally, the behavior of 13 further pesticides during winemaking was characterized using spiked samples. Grape, must, pomace, and wine samples were analyzed by LC-MS/MS following a QuEChERS extraction protocol. The transfer of fluxapyroxad into wine from field-treated and spiked samples was found to be similar, with processing factors (PF) of 0.31 and 0.33, respectively. A strong correlation between PF and the octanol-water partition coefficient (logK<sub>OW</sub>) was identified for 13 of the 14 pesticides present in the spiked samples (R<sup>2</sup> = 0.89, p < 0.0001). Determined PF were compared with values from the <em>European database of processing factors for pesticides in food</em>, which originate from field-treated samples. No significant differences were found, indicating that field-treated samples are not an absolute necessity for investigating the transfer of pesticides into wine.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"137 ","pages":"Article 106999"},"PeriodicalIF":4.0,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142701845","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-20DOI: 10.1016/j.jfca.2024.106987
Yunwei Niu , Mengdong Qiao , Yuanqing Ye , Tianyu Li , Liangtao Xu , Liyang Xu , Zuobing Xiao
Non-volatile amino acids could influence the overall aroma volatility and perception of Chinese liquor (Baijiu), yet the underlying mechanisms remain unclear. In this study, stir bar sorptive extraction-gas chromatography-mass spectrometry (SBSE-GC-MS) and amino acid analyzer were used to identify the odor compounds and free amino acids in Langjiu. Six acidic odor compounds with an odor activity value (OAV) ≥ 1 and the flavor amino acid L-phenylalanine (L-phe) were selected for analysis. Partition coefficient and olfactory threshold analyses were conducted to investigate the effect of L-phe on the release of these odor compounds. The results indicated that L-phe promoted the release of 3-methylbutanoic acid and pentanoic acid, while it inhibited the release of 2-methylpropanoic acid, butanoic acid, hexanoic acid, and octanoic acid. However, at high concentrations (257 mg/L), L-phe attenuated both the promotive and inhibitory effects. Fluorescence spectroscopy and isothermal titration calorimetry analyses demonstrated that the six acidic odor compounds effectively quenched the intrinsic fluorescence of L-phe through a static quenching mechanism, forming ground-state complexes. The primary interactions between L-phe and 3-methylbutanoic acid and pentanoic acid were attributed to hydrophobic interactions, while the interactions with 2-methylpropanoic acid, butanoic acid, hexanoic acid, and octanoic acid were mainly due to electrostatic interactions. This study provides new insights into the flavor regulation of Baijiu.
{"title":"Effects of amino acids on the release of acidic odor compounds in Langjiu and its potential mechanisms","authors":"Yunwei Niu , Mengdong Qiao , Yuanqing Ye , Tianyu Li , Liangtao Xu , Liyang Xu , Zuobing Xiao","doi":"10.1016/j.jfca.2024.106987","DOIUrl":"10.1016/j.jfca.2024.106987","url":null,"abstract":"<div><div>Non-volatile amino acids could influence the overall aroma volatility and perception of Chinese liquor (Baijiu), yet the underlying mechanisms remain unclear. In this study, stir bar sorptive extraction-gas chromatography-mass spectrometry (SBSE-GC-MS) and amino acid analyzer were used to identify the odor compounds and free amino acids in Langjiu. Six acidic odor compounds with an odor activity value (OAV) ≥ 1 and the flavor amino acid L-phenylalanine (L-phe) were selected for analysis. Partition coefficient and olfactory threshold analyses were conducted to investigate the effect of L-phe on the release of these odor compounds. The results indicated that L-phe promoted the release of 3-methylbutanoic acid and pentanoic acid, while it inhibited the release of 2-methylpropanoic acid, butanoic acid, hexanoic acid, and octanoic acid. However, at high concentrations (257 mg/L), L-phe attenuated both the promotive and inhibitory effects. Fluorescence spectroscopy and isothermal titration calorimetry analyses demonstrated that the six acidic odor compounds effectively quenched the intrinsic fluorescence of L-phe through a static quenching mechanism, forming ground-state complexes. The primary interactions between L-phe and 3-methylbutanoic acid and pentanoic acid were attributed to hydrophobic interactions, while the interactions with 2-methylpropanoic acid, butanoic acid, hexanoic acid, and octanoic acid were mainly due to electrostatic interactions. This study provides new insights into the flavor regulation of Baijiu.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"137 ","pages":"Article 106987"},"PeriodicalIF":4.0,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142701736","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}
Pub Date : 2024-11-20DOI: 10.1016/j.jfca.2024.106985
Aney Parven , Islam Md Meftaul , Kadiyala Venkateswarlu , Andrea Carpio Segovia , Mallavarapu Megharaj
Pre-emergence herbicide residues in pea cultivation can pose significant health risks to nontarget organisms, including humans. To assess the impact of these residues on soil and human health, garden peas were grown in an agricultural soil (MAT) and potting mix (POM) treated with dimethenamid-P, metazachlor, and pyroxasulfone. Dehydrogenase activity in MAT soil was not significantly affected by these herbicides. However, in POM, herbicide application resulted in significantly higher dehydrogenase levels, likely due to the higher organic matter content promoting microbial activity and moisture retention. In contrast, phosphatase activity levels remained relatively consistent across untreated and treated samples of both MAT and POM. Herbicide residues in pea pods, shoots and roots were measured to evaluate potential human health hazards. The detected residue levels were at or above the European Union’s maximum residue levels. The calculated non-cancer acute health hazard index of (aHI <100 %) and hazard quotient of (HQ <1) suggested that consuming peas grown in potting medium treated with these herbicides at recommended doses does not pose a health hazard to humans. This study is the first to provide insights into the environmental impact of pre-emergence herbicide residues in soil, aiding the development of safer and more sustainable vegetable farming practices.
豌豆种植过程中的萌芽前除草剂残留会对包括人类在内的非目标生物的健康造成严重危害。为了评估这些残留物对土壤和人类健康的影响，在使用二甲戊灵、甲草胺和吡蚜酮处理过的农用土壤（MAT）和混合盆栽（POM）中种植了园豌豆。MAT 土壤中的脱氢酶活性没有受到这些除草剂的明显影响。然而，在 POM 中，除草剂的施用导致脱氢酶水平明显升高，这可能是由于较高的有机物含量促进了微生物活动和水分保持。相比之下，在未处理和处理过的 MAT 和 POM 样品中，磷酸酶活性水平保持相对一致。对豌豆荚、嫩芽和根中的除草剂残留进行了测量，以评估对人体健康的潜在危害。检测到的残留水平达到或超过了欧盟规定的最高残留水平。计算得出的非癌症急性健康危害指数（aHI <100%）和危害商数（HQ <1）表明，食用用这些除草剂按推荐剂量处理过的盆栽介质中种植的豌豆不会对人体健康造成危害。这项研究首次深入探讨了萌芽前除草剂在土壤中的残留对环境的影响，有助于开发更安全、更可持续的蔬菜种植方法。
{"title":"Potted garden pea grown in presence of pre-emergence herbicides: Impacts on soil enzymes and human health","authors":"Aney Parven , Islam Md Meftaul , Kadiyala Venkateswarlu , Andrea Carpio Segovia , Mallavarapu Megharaj","doi":"10.1016/j.jfca.2024.106985","DOIUrl":"10.1016/j.jfca.2024.106985","url":null,"abstract":"<div><div>Pre-emergence herbicide residues in pea cultivation can pose significant health risks to nontarget organisms, including humans. To assess the impact of these residues on soil and human health, garden peas were grown in an agricultural soil (MAT) and potting mix (POM) treated with dimethenamid-P, metazachlor, and pyroxasulfone. Dehydrogenase activity in MAT soil was not significantly affected by these herbicides. However, in POM, herbicide application resulted in significantly higher dehydrogenase levels, likely due to the higher organic matter content promoting microbial activity and moisture retention. In contrast, phosphatase activity levels remained relatively consistent across untreated and treated samples of both MAT and POM. Herbicide residues in pea pods, shoots and roots were measured to evaluate potential human health hazards. The detected residue levels were at or above the European Union’s maximum residue levels. The calculated non-cancer acute health hazard index of (aHI <100 %) and hazard quotient of (HQ <1) suggested that consuming peas grown in potting medium treated with these herbicides at recommended doses does not pose a health hazard to humans. This study is the first to provide insights into the environmental impact of pre-emergence herbicide residues in soil, aiding the development of safer and more sustainable vegetable farming practices.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"138 ","pages":"Article 106985"},"PeriodicalIF":4.0,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142702586","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-20DOI: 10.1016/j.jfca.2024.107000
Ana Cristina Figueiredo , Anabela Bernardes da Silva , Cláudia Tavares , Mafalda Pastaneira , Juliana Melo , Carolina Ferro Rodrigues , Alexandra M. Machado , Marília Antunes , Cristina Cruz , Jorge Marques da Silva , Ana Rita Matos , Luís Pedro , José Barroso , Patrícia Almeida , Anabela Maurício , Cristina Rosa , João Faria , Miguel L. de Sousa , Ricardo Santos , Délio Raimundo , Cristina Oliveira
“Maçã de Alcobaça” is a type of apple from the West coast of Portugal with Protected Geographical Indication (PGI). This study evaluated the influence of the orchard’s fertilization and post-harvest storage time on the quality of “Maçã de Alcobaça”, ‘Gala’ cultivar. Five orchards were studied for four years, using three fertilization treatments [Standard, twice Standard (2xStandard) and twice Standard including organic matter (2xStandard_OM)]. The fruits’ volatile profile, emanation index, and quality parameters were determined in apples after harvest time (T0), three- (T3) and five months (T5) after storage. At T0, the intact apples volatiles were dominated by trans,trans-α-farnesene (48–79 %). trans,trans-α-Farnesene emanation index was larger in T0 apples independently of the orchard and fertilization treatment, and showed an accentuated decrease from T0 to T5. Fruits quality at T0 and T5, showed significant differences per orchard, but their average weight, TSS, and firmness, were not significantly altered with fertilization treatment. Storage did not significantly affect the fruits weight, but TSS and firmness always decreased regardless of the orchard or fertilization treatment. Among other things, the observed variations among orchards after fertilization treatments may relate to the cultural practices of each orchard as well as the fact that their ages and rootstocks varied.
“Maçã de alcobaa”是一种来自葡萄牙西海岸的受地理标志保护（PGI）的苹果。本研究评价了果园施肥和采后贮藏时间对“嘎拉”（Maçã de alcoba）品种品质的影响。以5个果园为研究对象，采用3种施肥处理[标准、二次标准（2xStandard）和二次标准含有机质（2xStandard_OM）]，为期4年。测定了苹果采后（T0）、贮藏后3个月（T3）和贮藏后5个月（T5）果实挥发性特征、散发指数和品质参数。T0时，完整苹果挥发物以反式、反式α-法尼烯为主（48 ~ 79 %）。与果园和施肥处理无关，T0苹果的反式、反式α-法尼烯释放指数较大，且从T0到T5下降加剧。果实品质在T0和T5的果园间差异显著，但其平均重量、TSS和硬度随施肥处理无显著变化。贮藏对果实质量影响不显著，但无论果园还是施肥处理，TSS和硬度都呈下降趋势。除其他因素外，在施肥处理后观察到的果园之间的差异可能与每个果园的文化实践以及它们的年龄和砧木不同有关。
{"title":"Influence of orchards fertilization management and post-harvest storage time on Malus domestica cv. ‘Gala’ fruit volatiles and quality parameters","authors":"Ana Cristina Figueiredo , Anabela Bernardes da Silva , Cláudia Tavares , Mafalda Pastaneira , Juliana Melo , Carolina Ferro Rodrigues , Alexandra M. Machado , Marília Antunes , Cristina Cruz , Jorge Marques da Silva , Ana Rita Matos , Luís Pedro , José Barroso , Patrícia Almeida , Anabela Maurício , Cristina Rosa , João Faria , Miguel L. de Sousa , Ricardo Santos , Délio Raimundo , Cristina Oliveira","doi":"10.1016/j.jfca.2024.107000","DOIUrl":"10.1016/j.jfca.2024.107000","url":null,"abstract":"<div><div>“Maçã de Alcobaça” is a type of apple from the West coast of Portugal with Protected Geographical Indication (PGI). This study evaluated the influence of the orchard’s fertilization and post-harvest storage time on the quality of “Maçã de Alcobaça”, ‘Gala’ cultivar. Five orchards were studied for four years, using three fertilization treatments [Standard, twice Standard (2xStandard) and twice Standard including organic matter (2xStandard_OM)]. The fruits’ volatile profile, emanation index, and quality parameters were determined in apples after harvest time (T0), three- (T3) and five months (T5) after storage. At T0, the intact apples volatiles were dominated by <em>trans</em>,<em>trans</em>-α-farnesene (48–79 %). <em>trans,trans</em>-α-Farnesene emanation index was larger in T0 apples independently of the orchard and fertilization treatment, and showed an accentuated decrease from T0 to T5. Fruits quality at T0 and T5, showed significant differences per orchard, but their average weight, TSS, and firmness, were not significantly altered with fertilization treatment. Storage did not significantly affect the fruits weight, but TSS and firmness always decreased regardless of the orchard or fertilization treatment. Among other things, the observed variations among orchards after fertilization treatments may relate to the cultural practices of each orchard as well as the fact that their ages and rootstocks varied.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"138 ","pages":"Article 107000"},"PeriodicalIF":4.0,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142744961","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}
Pub Date : 2024-11-19DOI: 10.1016/j.jfca.2024.106996
Yi Lin , Rongsheng Fan , Youli Wu , Chunyi Zhan , Rui Qing , Kunyu Li , Zhiliang Kang
Soluble solids content (SSC) is an important indicator for evaluating apple quality. This study aimed to assess two spectral techniques (hyperspectral imaging (HSI) and visible-near infrared (Vis-NIR)) combined with low-level and mid-level fusion strategies (LLF and MLF) for the detection of SSC in apples. Firstly, baseline correction (BC), detrending (DT), multiplicative scatter correction (MSC), savitzky-golay (SG), and standard normal variables (SNV) were used for the preprocessing of spectral data. Secondly, genetic algorithm (GA), competitive adaptive reweighted sampling (CARS), and their combinations were used for feature variable extraction. Finally, models were developed using partial least squares regression (PLSR) for spectral data. The results showed that Vis-NIR has an advantage over HSI in predicting apple SSC if only a single spectral technique was considered. The data fusion strategy showed better performance in predicting SSC metrics compared to individual spectral data. Among them, the LLF strategy showed the best performance in predicting SSC, with an of 0.927, an RMSEP of 0.529 °Brix, and an Akike information criterion (AIC) of 332.96. In addition, an optimal model based on HSI data was used to achieve visual maps of SSC. It was demonstrated that the fusion of HSI and Vis-NIR data provided a promising method for detecting the SSC in apples.
{"title":"Combining hyperspectral imaging technology and visible-near infrared spectroscopy with a data fusion strategy for the detection of soluble solids content in apples","authors":"Yi Lin , Rongsheng Fan , Youli Wu , Chunyi Zhan , Rui Qing , Kunyu Li , Zhiliang Kang","doi":"10.1016/j.jfca.2024.106996","DOIUrl":"10.1016/j.jfca.2024.106996","url":null,"abstract":"<div><div>Soluble solids content (SSC) is an important indicator for evaluating apple quality. This study aimed to assess two spectral techniques (hyperspectral imaging (HSI) and visible-near infrared (Vis-NIR)) combined with low-level and mid-level fusion strategies (LLF and MLF) for the detection of SSC in apples. Firstly, baseline correction (BC), detrending (DT), multiplicative scatter correction (MSC), savitzky-golay (SG), and standard normal variables (SNV) were used for the preprocessing of spectral data. Secondly, genetic algorithm (GA), competitive adaptive reweighted sampling (CARS), and their combinations were used for feature variable extraction. Finally, models were developed using partial least squares regression (PLSR) for spectral data. The results showed that Vis-NIR has an advantage over HSI in predicting apple SSC if only a single spectral technique was considered. The data fusion strategy showed better performance in predicting SSC metrics compared to individual spectral data. Among them, the LLF strategy showed the best performance in predicting SSC, with an <span><math><msubsup><mrow><mi>R</mi></mrow><mrow><mi>p</mi></mrow><mrow><mn>2</mn></mrow></msubsup></math></span> of 0.927, an RMSEP of 0.529 °Brix, and an Akike information criterion (AIC) of 332.96. In addition, an optimal model based on HSI data was used to achieve visual maps of SSC. It was demonstrated that the fusion of HSI and Vis-NIR data provided a promising method for detecting the SSC in apples.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"137 ","pages":"Article 106996"},"PeriodicalIF":4.0,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142701737","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}
Pub Date : 2024-11-19DOI: 10.1016/j.jfca.2024.106995
Yonghua Xu , Ying Dong , Jinming Liu , Chunqi Wang , Zhijiang Li
Protein level significantly influences the nutritional quality of rice. For this reason, this study introduced a method to rapidly measure the rice protein content through a combination of near infrared spectroscopy (NIRS) with characteristic spectral interval (CSI) selection. Using the interval partial least squares (iPLS) concept as a basis, this study integrated genetic simulated annealing algorithm (GSA) with partial least squares (PLS) and support vector machine (SVM) to develop two CSI selection algorithms, namely GSA-iPLS and GSA-iSVM, respectively. The CSI selected by the above algorithms were compared with synergy iPLS and backward iPLS, and quantitative calibration models were established for PLS and SVM, respectively. The study revealed that the PLS calibration model for rice protein content, developed using CSI selected by GSA-iPLS, exhibited the highest regression accuracy. The optimal model achieved determination coefficients of 0.945 and 0.964, relative root mean square errors of 2.598 % and 2.796 %, and residual predictive deviations of 4.265 and 5.023 for the validation and the external test sets, respectively, which met practical detection requirements. The results indicate that the combination NIRS with GSA CSI intelligent search is a reliable approach for the rapid and accurate detection of rice protein content.
{"title":"Combination of near infrared spectroscopy with characteristic interval selection for rapid detection of rice protein content","authors":"Yonghua Xu , Ying Dong , Jinming Liu , Chunqi Wang , Zhijiang Li","doi":"10.1016/j.jfca.2024.106995","DOIUrl":"10.1016/j.jfca.2024.106995","url":null,"abstract":"<div><div>Protein level significantly influences the nutritional quality of rice. For this reason, this study introduced a method to rapidly measure the rice protein content through a combination of near infrared spectroscopy (NIRS) with characteristic spectral interval (CSI) selection. Using the interval partial least squares (iPLS) concept as a basis, this study integrated genetic simulated annealing algorithm (GSA) with partial least squares (PLS) and support vector machine (SVM) to develop two CSI selection algorithms, namely GSA-iPLS and GSA-iSVM, respectively. The CSI selected by the above algorithms were compared with synergy iPLS and backward iPLS, and quantitative calibration models were established for PLS and SVM, respectively. The study revealed that the PLS calibration model for rice protein content, developed using CSI selected by GSA-iPLS, exhibited the highest regression accuracy. The optimal model achieved determination coefficients of 0.945 and 0.964, relative root mean square errors of 2.598 % and 2.796 %, and residual predictive deviations of 4.265 and 5.023 for the validation and the external test sets, respectively, which met practical detection requirements. The results indicate that the combination NIRS with GSA CSI intelligent search is a reliable approach for the rapid and accurate detection of rice protein content.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"137 ","pages":"Article 106995"},"PeriodicalIF":4.0,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142702389","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}
Pub Date : 2024-11-19DOI: 10.1016/j.jfca.2024.106994
Madhurima Moulick , Debangana Das , Shreya Nag , Panchanan Pramanik , Runu Banerjee Roy
The present study reported a facile approach to fabricate a molecular imprinted polymer electrode modified with nano-composites of gadolinium oxide (Gd2O3@TH-MIP-CPE) to detect theophylline in variants of black tea samples. The synthesized electrode material was characterized by scanning electron microscope, fourier transform infrared spectroscopy and UV–visible spectroscopy. The electroanalytic performance of the Gd2O3@TH-MIP-CPE electrode was studied using cyclic voltammetry (CV) and differential pulse voltammetry (DPV). The electrode exhibits a linear response from 50 µM to 900 µM with limit of detection being 2.004 µM. The electrode showed significant repeatability (%RSD=1.19), reproducibility (%RSD=0.92) and stability (%RSD=1.015). To evaluate the predictive ability of the electrode, partial least square regression (PLSR) model has been developed by correlating the high-performance liquid chromatography (HPLC) values with the voltammogram signals recorded using the electrode. The average prediction accuracy obtained from the PLSR model is 91.3 % with root mean square error of calibration being as low as 0.73.
{"title":"Gadolinium oxide modified molecular imprinted polymer electrode for the electrochemical detection of theophylline in black tea","authors":"Madhurima Moulick , Debangana Das , Shreya Nag , Panchanan Pramanik , Runu Banerjee Roy","doi":"10.1016/j.jfca.2024.106994","DOIUrl":"10.1016/j.jfca.2024.106994","url":null,"abstract":"<div><div>The present study reported a facile approach to fabricate a molecular imprinted polymer electrode modified with nano-composites of gadolinium oxide (Gd<sub>2</sub>O<sub>3</sub>@TH-MIP-CPE) to detect theophylline in variants of black tea samples. The synthesized electrode material was characterized by scanning electron microscope, fourier transform infrared spectroscopy and UV–visible spectroscopy. The electroanalytic performance of the Gd<sub>2</sub>O<sub>3</sub>@TH-MIP-CPE electrode was studied using cyclic voltammetry (CV) and differential pulse voltammetry (DPV). The electrode exhibits a linear response from 50 µM to 900 µM with limit of detection being 2.004 µM. The electrode showed significant repeatability (%RSD=1.19), reproducibility (%RSD=0.92) and stability (%RSD=1.015<sub>).</sub> To evaluate the predictive ability of the electrode, partial least square regression (PLSR) model has been developed by correlating the high-performance liquid chromatography (HPLC) values with the voltammogram signals recorded using the electrode. The average prediction accuracy obtained from the PLSR model is 91.3 % with root mean square error of calibration being as low as 0.73.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"137 ","pages":"Article 106994"},"PeriodicalIF":4.0,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142701735","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}
Pub Date : 2024-11-19DOI: 10.1016/j.jfca.2024.106997
Thi Anh Huong Nguyen , Hasara Savindi Rupasinghe , Quang Huy Nguyen , Thi Ngoc Mai Pham , Quoc Anh Hoang , Bach Pham , Trong Khoa Mai , Thi Hong Hao Le , Thi Phuong Quynh Le , Thanh Duc Mai
In this study, we report the development of a simple and cost-effective approach for fish sauce quality control. This is based on simultaneous determination of histamine and tyrosine in fish sauce using capillary electrophoresis (CE) coupled with contactless conductivity detection (C4D). Considerations for the use of purpose-made CE-C4D for food quality control in Vietnam are provided. The best detection limit (LOD) achieved was 5 mg/kg for histamine and 6 mg/kg for tyramine using the optimized background electrolyte (BGE) composed of 20 mM (N-(2-Hydroxyethyl)piperazine-N’-(2-ethane-sulfonic acid]) (HEPES) / 10 mM L-Histidine (His), 5 % methanol (MeOH) at pH 6.6. Excellent agreement between the results from CE-C4D and those from the confirmation method (HPLC-PDA for histamine and HPLC-FLD for tyramine) was achieved for different fish sauce samples, with their result deviations less than 10 % for all tested compounds.
{"title":"Quality control of fish sauce by simultaneous determination of histamine and tyramine with capillary electrophoresis and contactless conductivity detection","authors":"Thi Anh Huong Nguyen , Hasara Savindi Rupasinghe , Quang Huy Nguyen , Thi Ngoc Mai Pham , Quoc Anh Hoang , Bach Pham , Trong Khoa Mai , Thi Hong Hao Le , Thi Phuong Quynh Le , Thanh Duc Mai","doi":"10.1016/j.jfca.2024.106997","DOIUrl":"10.1016/j.jfca.2024.106997","url":null,"abstract":"<div><div>In this study, we report the development of a simple and cost-effective approach for fish sauce quality control. This is based on simultaneous determination of histamine and tyrosine in fish sauce using capillary electrophoresis (CE) coupled with contactless conductivity detection (C<sup>4</sup>D). Considerations for the use of purpose-made CE-C<sup>4</sup>D for food quality control in Vietnam are provided. The best detection limit (LOD) achieved was 5 mg/kg for histamine and 6 mg/kg for tyramine using the optimized background electrolyte (BGE) composed of 20 mM (N-(2-Hydroxyethyl)piperazine-N’-(2-ethane-sulfonic acid]) (HEPES) / 10 mM L-Histidine (His), 5 % methanol (MeOH) at pH 6.6. Excellent agreement between the results from CE-C<sup>4</sup>D and those from the confirmation method (HPLC-PDA for histamine and HPLC-FLD for tyramine) was achieved for different fish sauce samples, with their result deviations less than 10 % for all tested compounds.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"138 ","pages":"Article 106997"},"PeriodicalIF":4.0,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142723995","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}
Pub Date : 2024-11-19DOI: 10.1016/j.jfca.2024.106993
Bahar Karademir Tutar , Ömer Faruk Tutar , Süleyman Bodur , Yavuz Derin , Ahmet Tutar , Sezgin Bakırdere
A simple and efficient preconcentration method named as supramolecular solvent based spraying assisted liquid phase microextraction (SUPRAS-SA-LPME) was combined with a flame atomic absorption spectrometry (FAAS) for the determination of copper in fennel tea samples at trace levels. An alkanol (1-decanol)/THF based SUPRAS (containing complexation agent) was used as extraction solvent instead of traditional organic solvents for the first time in an SA-LPME process. Under the optimum conditions, system analytical performance of the developed method was evaluated, and limit of detection (LOD)/limit of quantitation (LOQ) values were recorded as 1.91/6.37 µg kg–1. After the evaluation of system analytical performances, the enhancement in detection power/calibration sensitivity was found to be 21.3/21.8 folds when the comparison of LOD values/calibration plot slopes of the FAAS and SUPRAS-SA-LPME-FAAS systems. The method applicability was tested for the fennel tea samples by spiking experiments, and acceptable recovery results (80.2 % – 111.8 %) were obtained for low, mid and high spiked concentration levels.
{"title":"Determination of copper at trace levels in fennel tea samples by flame atomic absorption spectrometry after the implementation of simultaneous complexation and supramolecular solvent based spraying assisted liquid phase microextraction","authors":"Bahar Karademir Tutar , Ömer Faruk Tutar , Süleyman Bodur , Yavuz Derin , Ahmet Tutar , Sezgin Bakırdere","doi":"10.1016/j.jfca.2024.106993","DOIUrl":"10.1016/j.jfca.2024.106993","url":null,"abstract":"<div><div>A simple and efficient preconcentration method named as supramolecular solvent based spraying assisted liquid phase microextraction (SUPRAS-SA-LPME) was combined with a flame atomic absorption spectrometry (FAAS) for the determination of copper in fennel tea samples at trace levels. An alkanol (1-decanol)/THF based SUPRAS (containing complexation agent) was used as extraction solvent instead of traditional organic solvents for the first time in an SA-LPME process. Under the optimum conditions, system analytical performance of the developed method was evaluated, and limit of detection (LOD)/limit of quantitation (LOQ) values were recorded as 1.91/6.37 µg kg<sup>–1</sup>. After the evaluation of system analytical performances, the enhancement in detection power/calibration sensitivity was found to be 21.3/21.8 folds when the comparison of LOD values/calibration plot slopes of the FAAS and SUPRAS-SA-LPME-FAAS systems. The method applicability was tested for the fennel tea samples by spiking experiments, and acceptable recovery results (80.2 % – 111.8 %) were obtained for low, mid and high spiked concentration levels.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"137 ","pages":"Article 106993"},"PeriodicalIF":4.0,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142701843","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}
Pub Date : 2024-11-18DOI: 10.1016/j.jfca.2024.106973
Martina Foschi , Francesca Di Donato , Alessandra Biancolillo , Francesco D’Emilia , Maria Anna Maggi , Angelo Antonio D’Archivio
We developed a UV–visible spectroscopic method, inspired by ISO-3632 normative conventionally adopted for grading saffron, to detect the adulteration of this spice by Calendula officinalis L. petals (calendula), Carthamus tinctorius L. petals (safflower), and Curcuma longa L. powdered rhizomes (turmeric). To enhance the spectral visibility of these adulterants relative to saffron, we tested various solvents, identifying acetonitrile as the most suitable extraction medium. We analyzed 40 genuine and 123 adulterated saffron samples, each containing 5–10 % w/w contamination (41 samples for each type of adulterant), using acetonitrile extraction. The resulting UV–visible spectra were processed using unsupervised multivariate statistical methods to distinguish between authentic and adulterated saffron. The Sequential Pre-processing through Orthogonalization (SPORT) algorithm, based on sequential and orthogonalized partial least squares (SO-PLS), was first applied to differentiate the two groups. Using a calibration set of 122 samples, the SPORT model correctly classified 37 of 38 external test samples, regardless of the type or level of contamination. Additionally, a class model for genuine saffron was developed using SIMCA (Soft Independent Modelling of Class Analogies), under the same calibration and validation conditions as the SPORT model. SIMCA accurately identified all test samples, with the exception of one pure saffron and one adulterated sample.
{"title":"A novel and simple method based on the chemometric treatment of UV–visible spectra of acetonitrile extracts to detect plant-derived adulterants in saffron (Crocus sativus L.)","authors":"Martina Foschi , Francesca Di Donato , Alessandra Biancolillo , Francesco D’Emilia , Maria Anna Maggi , Angelo Antonio D’Archivio","doi":"10.1016/j.jfca.2024.106973","DOIUrl":"10.1016/j.jfca.2024.106973","url":null,"abstract":"<div><div>We developed a UV–visible spectroscopic method, inspired by ISO-3632 normative conventionally adopted for grading saffron, to detect the adulteration of this spice by <em>Calendula officinalis</em> L. petals (calendula), <em>Carthamus tinctorius</em> L. petals (safflower), and <em>Curcuma longa</em> L. powdered rhizomes (turmeric). To enhance the spectral visibility of these adulterants relative to saffron, we tested various solvents, identifying acetonitrile as the most suitable extraction medium. We analyzed 40 genuine and 123 adulterated saffron samples, each containing 5–10 % w/w contamination (41 samples for each type of adulterant), using acetonitrile extraction. The resulting UV–visible spectra were processed using unsupervised multivariate statistical methods to distinguish between authentic and adulterated saffron. The Sequential Pre-processing through Orthogonalization (SPORT) algorithm, based on sequential and orthogonalized partial least squares (SO-PLS), was first applied to differentiate the two groups. Using a calibration set of 122 samples, the SPORT model correctly classified 37 of 38 external test samples, regardless of the type or level of contamination. Additionally, a class model for genuine saffron was developed using SIMCA (Soft Independent Modelling of Class Analogies), under the same calibration and validation conditions as the SPORT model. SIMCA accurately identified all test samples, with the exception of one pure saffron and one adulterated sample.</div></div>","PeriodicalId":15867,"journal":{"name":"Journal of Food Composition and Analysis","volume":"137 ","pages":"Article 106973"},"PeriodicalIF":4.0,"publicationDate":"2024-11-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142701842","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}
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