LWT - Food Science and Technology最新文献_第4页

Enhanced understanding of dark tea quality through integrated GC-IMS and E-Nose analysis 通过集成气相色谱- ims和电子鼻分析增强了对黑茶品质的了解

IF 6 1区农林科学

LWT - Food Science and Technology Pub Date : 2025-04-24 DOI: 10.1016/j.lwt.2025.117806

Shouji Gong , Ziran Zhang , Jing Chen , Haibo Wu , Hongming Jiang , Cuiqin Teng , Ziru Dai

{"title":"Enhanced understanding of dark tea quality through integrated GC-IMS and E-Nose analysis","authors":"Shouji Gong , Ziran Zhang , Jing Chen , Haibo Wu , Hongming Jiang , Cuiqin Teng , Ziru Dai","doi":"10.1016/j.lwt.2025.117806","DOIUrl":"10.1016/j.lwt.2025.117806","url":null,"abstract":"<div><div>Gas Chromatography Ion Mobility Spectrometry (GC-IMS) and electronic nose (E-Nose) were utilized to investigate the aroma components of Liupao tea and other dark teas, employing Principal component analysis (PCA) and Orthogonal Partial Least Squares Discriminant Analysis (OPLS-DA) for the statistical analysis of the detection data. A total of 58 aroma component forms were isolated using GC-IMS, with 39 of these components being clearly identified. Notably, Liupao tea exhibits distinct volatile characteristics, as evidenced by significantly higher concentrations of ethyl butanoate, pentyl butanoate, and methional compared to other dark teas (p < 0.01). The GC-IMS analyzes the foundational framework of nine common markers in dark tea, including acetone, 2-propanol, and acetic acid, specifically in Liupao tea, while the E-Nose captures the spatial distribution nuances of Liupao tea's overall aroma. This bimodal analytical approach effectively integrates the material basis with sensory representation, presenting a novel methodological paradigm for evaluating dark tea quality. The research findings not only establish a volatile characteristic map for Liupao tea but also utilize machine learning algorithms to identify key discriminant indicators. This provides a scientific basis for dark tea category identification, process optimization, and the protection of geographical indications.</div></div>","PeriodicalId":382,"journal":{"name":"LWT - Food Science and Technology","volume":"224 ","pages":"Article 117806"},"PeriodicalIF":6.0,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143895307","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Sensory profile, visual and aromatic instrumental analysis of African tamarillo (Solanum betaceum L.) fruit drinks 非洲柽柳果汁饮料的感官特征、视觉和芳香仪器分析

IF 6 1区农林科学

LWT - Food Science and Technology Pub Date : 2025-04-24 DOI: 10.1016/j.lwt.2025.117819

Matilde Tura , Patricia Garcia Salas , Enrico Valli , Wambui Kogi-Makau , Michael Wandayi Okoth , Duke Omayio Gekonge , Dasel Wambua Mulwa Kaindi , Sophia Ngala , Erica Bensmail , Marco Setti , Tullia Gallina Toschi

{"title":"Sensory profile, visual and aromatic instrumental analysis of African tamarillo (Solanum betaceum L.) fruit drinks","authors":"Matilde Tura , Patricia Garcia Salas , Enrico Valli , Wambui Kogi-Makau , Michael Wandayi Okoth , Duke Omayio Gekonge , Dasel Wambua Mulwa Kaindi , Sophia Ngala , Erica Bensmail , Marco Setti , Tullia Gallina Toschi","doi":"10.1016/j.lwt.2025.117819","DOIUrl":"10.1016/j.lwt.2025.117819","url":null,"abstract":"<div><div>Tamarillo (<em>Solanum betaceum</em> L.), also known as “tree tomato”, is a subtropical plant native of the Andean regions, also found in Southern Europe and Africa. These fruits are of great interest in some regions of the world as they can also be processed into juice or wine and contain functional compounds such as phenolic molecules, vitamins, minerals, and carotenoids. The objective of this study was to characterize, through sensory and instrumental analyses, two tamarillo fruit drinks produced in Kenya, named TJ and BTJ (the latter a variant of the first one through enrichment with mulberry leaf extract), formulated without added sugars and two common Italian juices (a red fruit juice and an orange juice), these last used for a comparison. The sensory analysis (Flash Profile) identified 23 distinctive sensory descriptors. TJ was characterized by bitter, herbal, and moldy notes, while BTJ exhibited turbidity, exotic fruit aroma, and balsamic notes. The volatile profile (SPME-GC-MS) revealed the presence of terpenic compounds, namely, limonene, linalool, and terpinen-4-ol. Furthermore, image analysis (IRIS electronic eye) identified the specific red tones of the tamarillo fruit drinks. The combined analysis of sensory and instrumental data (Multiple Factor Analysis) highlighted relationships between specific volatile molecules and olfactory descriptors, as well as registered red tones and visual descriptors. This work provides elements for the characterization of tamarillo fruit drinks, useful for improving their formulation, acceptability and enhancing their commercial potential at a global level, or considering specific needs of sugar reduction and dietary food fortification.</div></div>","PeriodicalId":382,"journal":{"name":"LWT - Food Science and Technology","volume":"224 ","pages":"Article 117819"},"PeriodicalIF":6.0,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143895324","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Establishing a keemun black tea brewing control chart based on consumer acceptance via survival analysis and degree of satisfaction-difference method 通过生存分析和满意度差法，建立了基于消费者接受度的祁门红茶冲泡控制图

IF 6 1区农林科学

LWT - Food Science and Technology Pub Date : 2025-04-24 DOI: 10.1016/j.lwt.2025.117829

Xiaoyi Zhao , Tong Qiu , Ziqi Zhang , Shiya Huang , Yingqi Chen , Shiya Gan , Qing Jiang , Ying Zhang , Fangling Zheng , Luqing Li , Qianying Dai

{"title":"Establishing a keemun black tea brewing control chart based on consumer acceptance via survival analysis and degree of satisfaction-difference method","authors":"Xiaoyi Zhao , Tong Qiu , Ziqi Zhang , Shiya Huang , Yingqi Chen , Shiya Gan , Qing Jiang , Ying Zhang , Fangling Zheng , Luqing Li , Qianying Dai","doi":"10.1016/j.lwt.2025.117829","DOIUrl":"10.1016/j.lwt.2025.117829","url":null,"abstract":"<div><div>The optimization of brewing technique and brewing criteria for the globally popular Keemun black tea (KBT) has not been established. Herein, extraction yield (EY) and total dissolved solids (TDS) are employed as quality indicators to evaluate the quality of a cup of KBT. A KBT brewing control chart is designed with the “ideal” zone of EY defined from 3.50 to 6.50 g/g and that of TDS defined from 0.14 to 0.25 g/g, via survival analysis of tea consumers (n = 245). Thereafter, tea/water ratio is optimized to 1:45–1:20 g/mL via response surface methodology, and the brewing time is regulated to be within 16–38, 0–15 and 0–30 s to achieve the ideal quality KBT infusions freshly brewed for the first, second and third time, respectively, with the temperature controlled between 95°C and 100 °C. A relationship between consumer acceptance, quality indicators, and brewing parameters is visualized using the KBT brewing control chart. The KBT infusions located in the “ideal” zone and using optimized tea/water ratios are verified by consumers (n = 80) via the degree of satisfaction-difference method. The KBT brewing control chart is established in this study, and the brewing parameters are optimized as a useful reference for tea consumers when brewing KBT.</div></div>","PeriodicalId":382,"journal":{"name":"LWT - Food Science and Technology","volume":"224 ","pages":"Article 117829"},"PeriodicalIF":6.0,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143876995","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

In-situ one-step extraction of rhubarb anthraquinones using TBAB–polyol deep eutectic solvents: a green process optimized by a hybrid RSM–ANN–GA approach tbab -多元醇深共晶溶剂原位一步提取大黄蒽醌类化合物：混合RSM-ANN-GA优化绿色工艺

IF 6 1区农林科学

LWT - Food Science and Technology Pub Date : 2025-04-24 DOI: 10.1016/j.lwt.2025.117839

Pingping Zhang, Dong Xiao, Wenhao liu, Jinqi Hu, Xiaoqian Li, Xia Wang, Chuanqiu Tang

{"title":"In-situ one-step extraction of rhubarb anthraquinones using TBAB–polyol deep eutectic solvents: a green process optimized by a hybrid RSM–ANN–GA approach","authors":"Pingping Zhang, Dong Xiao, Wenhao liu, Jinqi Hu, Xiaoqian Li, Xia Wang, Chuanqiu Tang","doi":"10.1016/j.lwt.2025.117839","DOIUrl":"10.1016/j.lwt.2025.117839","url":null,"abstract":"<div><div>Extracting trace active components from traditional Chinese medicine is challenging due to the robust structure of the biomass cell wall. This study developed an <em>in</em>-<em>situ</em> one-step extraction using quaternary ammonium salt-polyol DESs to greenly and efficiently extract anthraquinone compounds (AQs) from rhubarb. Multivariate data analysis revealed that the DES composed of tetrabutylammonium bromide (TBAB) and triethylene glycol (TEG) exhibited excellent extraction performance for AQs. The optimal conditions were determined through a combination of response surface methodology (RSM) and artificial neural network–genetic algorithm (ANN-GA). A total AQs extraction yield of 23.06 ± 0.54 mg/g was achieved using TBAB–TEG DES (75.4 % TEG molar fraction, 25.5 % water) with a 10.4-min extraction. This yield significantly exceeded that of the Chinese Pharmacopoeia extractant (<em>p</em> < 0.05) and was comparable to the extraction rates of two other newly reported DES extractants (<em>p</em> > 0.05). The method integrates extraction, separation, and purification into one step, simplifying the process. SEM and FT-IR analyses confirmed that cell wall disruption and stable AQs-DES complex formation enhanced extraction efficiency. Sensitivity analysis identified TEG molar fraction (39.89 %), extraction time (31.86 %), and water content (28.24 %) as key factors. The RSM-ANN-GA model outperformed RSM alone, providing a reliable tool for process optimization in the pharmaceutical and food industries.</div></div>","PeriodicalId":382,"journal":{"name":"LWT - Food Science and Technology","volume":"224 ","pages":"Article 117839"},"PeriodicalIF":6.0,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143895322","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Development of low-calorie candied chestnut formulations: A novel functional approach 低热量糖板栗配方的开发：一种新的功能方法

IF 6 1区农林科学

LWT - Food Science and Technology Pub Date : 2025-04-24 DOI: 10.1016/j.lwt.2025.117843

Giuseppina Crescente , Giovanni Cascone , Alida Sorrentino , Michele Di Stasio , Maria Grazia Volpe , Stefania Moccia

{"title":"Development of low-calorie candied chestnut formulations: A novel functional approach","authors":"Giuseppina Crescente , Giovanni Cascone , Alida Sorrentino , Michele Di Stasio , Maria Grazia Volpe , Stefania Moccia","doi":"10.1016/j.lwt.2025.117843","DOIUrl":"10.1016/j.lwt.2025.117843","url":null,"abstract":"<div><div>This study evaluated the physico-chemical, nutritional, sensory, microbiological safety, and shelf life properties of innovative low-calorie candied chestnuts (<em>marron glacé</em>). Four distinct formulations were developed using syrups with various sweeteners: erythritol, stevia, inulin, sucrose, and glucose. These formulations were labeled as CCHEST1 (sucrose, glucose, and water), CCHEST2 (stevia, inulin, glucose, and water), CCHEST3 (erythritol, stevia, inulin, and water), and CCHEST4 (erythritol, glucose, inulin, and water). To improve the preservation of the product, the chestnuts in syrup with alternative sweeteners were coated with an active coating composed of chitosan and inulin. Physico-chemical parameters (moisture, °Brix, pH, water activity (a<sub>w</sub>)), nutritional composition (protein, carbohydrates, sugars, calories, fat, dietary fiber), and sensory attributes (appearance, flavor, sweetness, aftertaste, and overall acceptability) were analyzed. Microbiological quality was assessed by determining total viable counts, yeasts, and molds. CCHEST3 had the lowest caloric and carbohydrate content, receiving the highest overall acceptance in sensory evaluations. All formulations demonstrated excellent microbiological quality, ensuring safety and suitability for consumption. This research highlights CCHEST3 as a promising low-calorie alternative to traditional <em>marron glacé</em>, combining nutritional benefits with consumer appeal.</div></div>","PeriodicalId":382,"journal":{"name":"LWT - Food Science and Technology","volume":"224 ","pages":"Article 117843"},"PeriodicalIF":6.0,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143899958","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Characterization of volatile organic compounds in selenium-enriched brown rice tea of different colors using E-nose, HS-GC-IMS and HS-SPME-GC-MS 不同颜色富硒糙米茶中挥发性有机物的电子鼻、HS-GC-IMS和HS-SPME-GC-MS表征

IF 6 1区农林科学

LWT - Food Science and Technology Pub Date : 2025-04-23 DOI: 10.1016/j.lwt.2025.117830

Lei Zhou , Wei Zheng , Yong Sui , Zhenzhou Zhu , Shuyi Li , Jianbin Shi , Tian Xiong , Fang Cai , Junren Wen , Zhan Zheng , Xin Mei

{"title":"Characterization of volatile organic compounds in selenium-enriched brown rice tea of different colors using E-nose, HS-GC-IMS and HS-SPME-GC-MS","authors":"Lei Zhou , Wei Zheng , Yong Sui , Zhenzhou Zhu , Shuyi Li , Jianbin Shi , Tian Xiong , Fang Cai , Junren Wen , Zhan Zheng , Xin Mei","doi":"10.1016/j.lwt.2025.117830","DOIUrl":"10.1016/j.lwt.2025.117830","url":null,"abstract":"<div><div>The volatile characteristics of brown rice tea (BRT) prepared from selenium-enriched rice varieties of diverse colors—black, red, and white—were investigated. A multifaceted analytical approach encompassing electronic nose, headspace gas chromatography-ion mobility spectrometry (HS-GC-IMS), headspace solid-phase micro-extraction gas chromatography-mass spectrometry (HS-SPME-GC-MS), and electronic tongue was employed to comprehensively characterize aroma and taste profiles. It was revealed by the analysis that aldehydes, alcohols, pyrazines, and furans constituted the dominant volatile aroma compounds across all three BRT colors. Additionally, bitterness and saltiness were identified as the primary taste attributes. The levels of potentially irritating sulfides and heterocyclic volatile contaminants (including furans) were demonstrably reduced by selenium enrichment by 32 %–75 % and 8 %–55 %, respectively. The volatile flavor components identified by HS-GC-IMS and HS-SPME-GC-MS were effectively differentiated using principal component analysis (PCA) and cluster analysis. Twenty-one aroma compounds with an ROAV exceeding 1, and nine substances with an ROAV greater than 50, were pinpointed through ROAV analysis. Moreover, nineteen labeled volatile organic compounds (VOCs), including 3,5-diethyl-2-methylpyridazine, 2-pentylfuran, hexanal, and 1-butanal, were successfully screened using partial least squares discriminant analysis (PLS-DA). This comprehensive study offers insights into the flavor and taste profiles of selenium-enriched colored brown rice teas, supporting their development and optimization.</div></div>","PeriodicalId":382,"journal":{"name":"LWT - Food Science and Technology","volume":"224 ","pages":"Article 117830"},"PeriodicalIF":6.0,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143876990","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Gelatin-wax-based bigel System: Innovative research on a low-calorie fat substitute 明胶-蜡基高脂体系：低热量脂肪替代品的创新研究

IF 6 1区农林科学

LWT - Food Science and Technology Pub Date : 2025-04-23 DOI: 10.1016/j.lwt.2025.117836

Mengjing Zhou, Bin Li, Aolin Wu, Jiawei Li, Jinming Tang, Ying Wang, Zhigang Hu

{"title":"Gelatin-wax-based bigel System: Innovative research on a low-calorie fat substitute","authors":"Mengjing Zhou, Bin Li, Aolin Wu, Jiawei Li, Jinming Tang, Ying Wang, Zhigang Hu","doi":"10.1016/j.lwt.2025.117836","DOIUrl":"10.1016/j.lwt.2025.117836","url":null,"abstract":"<div><div>In this study, we used beeswax and rice bran wax as oleogelators. We used gelatin as a hydrogelator for the hydrogels. Then, we checked the bigels' thermal, mechanical, rheological, and freeze-thaw properties with different mixes of hydrogel and oleogel. As the tests went on, it was found that when the ratio of hydrogel to oleogel was 6:4, the BG5 bigel had a water-oil bicontinuous phase. The Fourier transform infrared spectroscopy (FTIR) analysis indicated that the hydrogel and oleogel parts each had their own unique peaks. This pattern is similar to the lipid profile of butter. The storage modulus (G′) and loss modulus (G″) of the bigel changed in a way that wasn't linear as the hydrogel content went up. This indicated that the ratio of hydrogel to oleogel had a big effect on the bigel's elastic and viscous properties. Tests of freeze-thaw stability indicated that the oil holding capacity (OHC) went up significantly as the hydrogel content went up. Following three freeze-thaw cycles, the OHC values for BG2 to BG6 were 71.62 ± 1.03 %, 75.1 ± 0.36 %, 76.0 ± 0.02 %, 80.53 ± 1.85 %, and 99.60 ± 0.39 %. This study proposes a bigel preparation method with excellent structural and freeze–thaw stability, providing a new approach and technical support for the development of butter alternatives in low-fat food systems.</div></div>","PeriodicalId":382,"journal":{"name":"LWT - Food Science and Technology","volume":"224 ","pages":"Article 117836"},"PeriodicalIF":6.0,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143876992","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Negative correlation between oil lipolysis and its LC-PUFA content in simulated digestion 模拟消化过程中油脂分解与其LC-PUFA含量呈负相关

IF 6 1区农林科学

LWT - Food Science and Technology Pub Date : 2025-04-23 DOI: 10.1016/j.lwt.2025.117835

Gabriele Beltrame , Iida Valta, Annelie Damerau, Kaisa M. Linderborg

引用次数: 0

Rapid assessment of lychee and mango fruit quality using hyperspectral imaging 利用高光谱成像技术快速评价荔枝和芒果果实品质

IF 6 1区农林科学

LWT - Food Science and Technology Pub Date : 2025-04-23 DOI: 10.1016/j.lwt.2025.117833

Naila Kanwal , Wiebke Kämper , Michael B. Farrar , Mahshid Tootoonchy , Clayton Lynch , Joel Nichols , Helen M. Wallace , Stephen J. Trueman , Shahla Hosseini Bai

{"title":"Rapid assessment of lychee and mango fruit quality using hyperspectral imaging","authors":"Naila Kanwal , Wiebke Kämper , Michael B. Farrar , Mahshid Tootoonchy , Clayton Lynch , Joel Nichols , Helen M. Wallace , Stephen J. Trueman , Shahla Hosseini Bai","doi":"10.1016/j.lwt.2025.117833","DOIUrl":"10.1016/j.lwt.2025.117833","url":null,"abstract":"<div><div>Rapid quality assessment of fruit is important to ensure consistent-quality production and supply. This study explored hyperspectral imaging (HSI) as a method to predict °Brix, acidity, and mineral nutrient concentrations using skin or flesh images of two lychee and two mango cultivars. Partial least squares regression (PLSR) models were developed using each cultivar. Spectral data across two cultivars were then pooled and these models compared with the models developed using individual cultivars. Artificial neural network (ANN) and support vector machine regression (SVMR) models were also developed for predicting Brix, acidity and Brix/acid ratio. Both the skin and flesh images were useful for developing PLSR models that predicted Brix and the Ca, Cu, Fe and Mn concentrations of lychee and mango flesh, with R<sup>2</sup> from 0.50 to 0.89. Pooled-cultivar datasets were useful for developing PLSR models that predicted Brix of lychee flesh, and Brix, acidity and Brix/acid ratio of mango flesh, with R<sup>2</sup> ≥ 0.60. The prediction accuracies were improved using ANN to estimate Brix and acidity of lychee flesh, while the prediction accuracies were improved using both ANN and SVMR to estimate Brix, acidity and Brix/acid ratio of mango flesh. The results demonstrate that skin images can be used for non-destructive assessment, and that HSI can predict fruit quality even among mixed-cultivar consignments. Advanced machine learning techniques further improve the prediction capacity. HSI provides a rapid method for predicting flesh quality of lychee and mango fruit, facilitating the timely scheduling of harvesting and allowing the grading of fruit into consistent-quality batches.</div></div>","PeriodicalId":382,"journal":{"name":"LWT - Food Science and Technology","volume":"224 ","pages":"Article 117833"},"PeriodicalIF":6.0,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143903821","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Analysis for inhibition mechanisms of pheophytin a and pyropheophytin a against alpha-glucosidase by multi-spectroscopy, molecular docking, and molecular dynamics simulation 多光谱、分子对接、分子动力学模拟等方法分析叶绿素a和叶绿素a对α -葡萄糖苷酶的抑制机制

IF 6 1区农林科学

LWT - Food Science and Technology Pub Date : 2025-04-23 DOI: 10.1016/j.lwt.2025.117828

Xinxin Liu , Yipeng Gu , Weifeng Xu , Ruiqi Zhang , Tomoyuki Koyama

{"title":"Analysis for inhibition mechanisms of pheophytin a and pyropheophytin a against alpha-glucosidase by multi-spectroscopy, molecular docking, and molecular dynamics simulation","authors":"Xinxin Liu , Yipeng Gu , Weifeng Xu , Ruiqi Zhang , Tomoyuki Koyama","doi":"10.1016/j.lwt.2025.117828","DOIUrl":"10.1016/j.lwt.2025.117828","url":null,"abstract":"<div><div>Chlorophyll <em>a</em> (Chl a) is widely distributed in plants and undergoes conversion, pheophytin a (Pheo a) and pyropheophytin a (Pyro a), during heating or acidic treatment. This study investigated the α-glucosidase-inhibitory properties of Pyro a using multi-spectroscopy, molecular docking, and a molecular dynamics simulation, with a comparative analysis against Pheo a. Our results suggested that Pyro a (IC<sub>50</sub> = 22.79 μg/mL) showed stronger inhibitory activity than Pheo a (IC<sub>50</sub> = 39.02 μg/mL) with a mixed-type manner. Moreover, fluorescence quenching and Fourier transform infrared spectra results clarified that Pheo a and Pyro a interacted with α-glucosidase in a static quenching mode, inducing rearrangement and conformational changes of α-glucosidase. Molecular docking revealed that both Pheo a and Pyro a bind to the catalytic site of α-glucosidase, with Pyro a forming more hydrogen bonds and showing higher affinity. Molecular dynamics simulations supported the enhanced binding stability of the Pyro a–α-glucosidase complex. In conclusion, both Pheo a and Pyro a inhibit α-glucosidase by inducing structural rearrangement, with Pyro a demonstrating superior potency, likely due to its stronger and more stable interactions with the enzyme.</div></div>","PeriodicalId":382,"journal":{"name":"LWT - Food Science and Technology","volume":"224 ","pages":"Article 117828"},"PeriodicalIF":6.0,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143895306","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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