{"title":"Synthesis of Terpenic Esters Using Natural Kaolinite Clay: Thermodynamic, Kinetic and Bioinformatics Studies","authors":"Seif Eddine Larba, Mourad Boukachabia, Saoussen Zeror, Hacene Bendjeffal, Tayeb Bouaroudj","doi":"10.1002/ffj.3868","DOIUrl":"https://doi.org/10.1002/ffj.3868","url":null,"abstract":"<div>\u0000 \u0000 <p>This study aims to synthesise novel terpene esters to evaluate their capability to inhibit the Ebola virus. High-value terpene esters were designed and synthesised using local kaolin as an eco-compatible catalyst, with yields ranging from moderate to excellent. Kinetic and thermodynamic studies of the acylation of <i>l</i>-menthol at different temperatures were calculated, revealing the correlations between activation energy, standard Gibbs energy, standard entropy and standard enthalpy. Density Functional Theory (DFT) calculations were performed for a series of terpene esters, and their behaviour was analysed using Frontier Molecular Orbitals (FMO) and Molecular Electrostatic Potential (MEP). Energy gaps for highly active compound <b>2a</b> and weakly active compound <b>10a</b> are 0.3508 and 0.4080, respectively. Additionally, the pharmacokinetic properties of selected synthesised compounds were predicted by metabolism, excretion, and toxicity (ADME/T). Molecular docking (in silico) and theoretical calculation explained the action mechanism. According to the results, the tested compounds inhibiting 5GQB represent promising novel drug candidates against the Ebola virus.</p>\u0000 </div>","PeriodicalId":170,"journal":{"name":"Flavour and Fragrance Journal","volume":"40 4","pages":"711-725"},"PeriodicalIF":2.1,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144264705","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Influence of Tea Type and Tea-Making Utensil Materials on the Sense of Smell and Catechin Content","authors":"Lin Pei-Ju, Zhang Yi-Xin","doi":"10.1002/ffj.3866","DOIUrl":"https://doi.org/10.1002/ffj.3866","url":null,"abstract":"<div>\u0000 \u0000 <p>This study determined the catechins content in tea brewed in utensils made of different materials using high-performance liquid chromatography (HPLC). The effects of tea types, utensil materials, and catechin concentrations on the blind smell test of assessors were investigated through an experimental survey. The results showed that the assessors believed that unfermented green tea had a higher catechin concentration than partially fermented oolong and fully fermented black teas. They also believed that stainless steel utensils would affect the catechin content in green, black, and oolong teas to the greatest extent. The experimental results showed that the highest catechin concentration was found in fully fermented black tea and that the catechin content may be increased in tea made in food-grade silica gel containers. Assessors with a tea-related occupational background were more likely to smell the floral aroma of green tea. The floral aroma was the most pronounced at lower than at higher concentrations of catechins. The results of this study allow consumers to understand the benefits of tea and provide a reference for suppliers and sellers in tea-related fields and the tea market to increase the value of tea drinking and the output value of tea consumers.</p>\u0000 </div>","PeriodicalId":170,"journal":{"name":"Flavour and Fragrance Journal","volume":"40 4","pages":"778-789"},"PeriodicalIF":2.1,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144264698","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Advances in Preparation of Cyclodextrin-Based Stimulus-Responsive Carriers and Their Applications in Delivery of Functional Spices","authors":"Liyang Xu, Yamei Wang, Yunwei Niu","doi":"10.1002/ffj.3867","DOIUrl":"https://doi.org/10.1002/ffj.3867","url":null,"abstract":"<div>\u0000 \u0000 <p>Spices are substances that can be detected by the sense of smell or taste in their natural state. Currently, research on functional spices with properties such as anti-tumour, vascularisation, anti-inflammatory, and antibacterial effects attracts a lot of attention. However, comprehensive reviews on spices and their delivery systems remain limited. Among the various carriers used for spice delivery, cyclodextrins are widely applied due to their unique properties, which feature a hydrophobic interior and a hydrophilic exterior, particularly in the delivery of poorly soluble spices. In this study, representative functional spices and their mechanisms of action are introduced, then cyclodextrins and stimulus-responsive cyclodextrin-based delivery systems are summarised, and their applications in the field of spice delivery are discussed. Furthermore, the challenges faced in spice delivery and the future direction of cyclodextrin-based carriers are proposed to promote the construction of an effective delivery system.</p>\u0000 </div>","PeriodicalId":170,"journal":{"name":"Flavour and Fragrance Journal","volume":"40 4","pages":"638-664"},"PeriodicalIF":2.1,"publicationDate":"2025-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144264660","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Unravelling the Chemical Landscape of Neolitsea pallens Essential Oil: A Comparative Study of Geographical Chemotypes Using t-SNE and Hierarchical Clustering","authors":"Nisha Thakur, Y. C. Tripathi, V. K. Varshney","doi":"10.1002/ffj.3865","DOIUrl":"https://doi.org/10.1002/ffj.3865","url":null,"abstract":"<div>\u0000 \u0000 <p><i>Neolitsea pallens</i> essential oil (NPEO) is known for its diverse chemical composition, which can vary significantly depending on geographical origin. In this study, we aimed to explore the chemical variability of NPEOs across different geographical regions using advanced multivariate analysis techniques. The methodology involved the collection of <i>Neolitsea pallens</i> leaves from 13 different locations of Himachal Pradesh, followed by hydrodistillation using a Clevenger-type apparatus. Comprehensive qualitative and quantitative chemical profiling was conducted using gas chromatography–mass spectrometry (GC–MS) and gas chromatography with flame ionisation detection (GC-FID) analysis. The GC–MS analysis identified 66 distinct chemical compounds, dominated by sesquiterpenoids, ranging from 10.33% to 59.21%, respectively. Caryophyllene oxide emerged as the major compound, with concentrations ranging from 3.32% ± 0.18% to 33.8% ± 2.43%, with the highest concentration observed in the Shankar dehra location. To elucidate the underlying chemical patterns, differentiate between geographical chemotypes and explore altitudinal correlations between locations, we employed both t-distributed stochastic neighbour embedding (t-SNE), hierarchical clustering analysis (HCA) and Pearson's correlation matrix. The chemotypes were identified as caryophyllene oxide, <i>β</i>-caryophyllene, <i>β</i>-sabinene and <i>α</i>-muurolene-14-ol. This study highlights for the very first time the significant influence of geographic location on the chemical composition of NPEOs. These variations highlight the need for considering geographical factors when utilising NPEOs for industrial or therapeutic applications. The integration of t-SNE and hierarchical clustering offers a robust framework for chemotype differentiation, providing deeper insights into the chemical diversity of this species.</p>\u0000 </div>","PeriodicalId":170,"journal":{"name":"Flavour and Fragrance Journal","volume":"40 4","pages":"765-777"},"PeriodicalIF":2.1,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144264582","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Tugay Asgarlı, Hafize Yuca, Enes Tekman, Bilge Aydın, Gamze Göger, Betül Demirci, Yusuf Gülşahin, Satuk Buğra Alkuyruk, Gülnur Ekşi Bona, Mehmet Bona, Mehmet Karadayı, Songul Karakaya
{"title":"Anatomical and Morphological Characteristics of Salvia pachystachya Trautv. (Lamiaceae) and Phytochemical Profiling and Bioactivities of Its Essential Oils and Extracts","authors":"Tugay Asgarlı, Hafize Yuca, Enes Tekman, Bilge Aydın, Gamze Göger, Betül Demirci, Yusuf Gülşahin, Satuk Buğra Alkuyruk, Gülnur Ekşi Bona, Mehmet Bona, Mehmet Karadayı, Songul Karakaya","doi":"10.1002/ffj.3864","DOIUrl":"https://doi.org/10.1002/ffj.3864","url":null,"abstract":"<div>\u0000 \u0000 <p><i>Salvia pachystachya</i> is a medicinally promising plant species, yet its pharmacological properties remain underexplored. This study aimed to investigate its anatomical, phytochemical and bioactive characteristics to assess its therapeutic potential comprehensively. Microscopic analysis revealed distinctive anatomical features, including quadrangular stems and glandular trichomes on leaves, providing valuable insights into the plant's structural properties. Phytochemical profiling of methanol and aqueous extracts identified chlorogenic acid as the major component (11,052.88–25,718.77 ng/mL), while essential oils were predominantly composed of phytol (48.4%) and caryophyllene oxide (26.2%). The total phenolic content and antioxidant capacity analyses showed that the methanol extract exhibited significant ABTS<sup>•+</sup> scavenging activity (90.06%). Bioactivity assays demonstrated the plant's antidiabetic, anticholinesterase and antimicrobial properties. The LC–MS/MS analysis of extracts revealed that chlorogenic acid was the most abundant secondary metabolite among the analysed compounds, with significant variations across different plant parts and extraction solvents. The highest concentration was detected in the aerial part methanol extract (34,885.06 ng/mL), followed by the flower methanol extract (25,718.77 ng/mL). Genotoxicity assessments, including Ames, <i>Escherichia coli</i> WP2, and <i>Allium cepa</i> tests, confirmed the nongenotoxic nature of the extracts. Furthermore, molecular docking indicated strong binding affinities of chlorogenic and quinic acids to target enzymes, supporting their therapeutic relevance. These findings highlighted <i>S. pachystachya</i> as a promising candidate for further pharmacological research, particularly for its potential in combating oxidative stress-related conditions such as diabetes and neurodegenerative diseases.</p>\u0000 </div>","PeriodicalId":170,"journal":{"name":"Flavour and Fragrance Journal","volume":"40 4","pages":"735-764"},"PeriodicalIF":2.1,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144264496","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Minhui Yang, Danshi Zhu, Xuan Zhang, Dafei Huo, Jun Liu, Dayu Zhou, He Liu
{"title":"Quality Difference Analysis Among Soy Whey Produced by Different Processing Methods","authors":"Minhui Yang, Danshi Zhu, Xuan Zhang, Dafei Huo, Jun Liu, Dayu Zhou, He Liu","doi":"10.1002/ffj.3863","DOIUrl":"https://doi.org/10.1002/ffj.3863","url":null,"abstract":"<div>\u0000 \u0000 <p>The objective of this study was to analyse the difference in sensory flavour and volatile compounds among the three processing methods of soy whey, as well as to establish an evaluation model representing the correlation between sensory flavour and volatile compounds. The results showed that the soy whey produced by the boiling-to-filtering method (BFM) exhibited a higher total soluble solid (TSS) content and total flavonoid content (TFC) compared to that of the repeated boiling-to-filtering method (RBFM) and the filtering-to-boiling method (FBM), while RBFM soy whey showed a higher total protein content (TPC). The sensory analysis showed that the FBM soy whey exhibited an intense beany flavour and grease odour. The SPME/GC–MS results showed that FBM soy whey exhibited more categories and higher contents of flavour compounds, particularly for alcohols and aldehydes. 1-Octen-3-ol, <i>n</i>-hexanol, hexanal and nonanal were the main volatile compounds influencing soy whey with different processing methods. The evaluation model revealed that the beany flavour was close to FBM soy whey and highly correlated with 1-octen-3-ol, <i>n</i>-hexanol, hexanal, heptanal and 2-ethyl furan. (<i>E</i>, <i>E</i>)-2,4-Heptadienal, (<i>E</i>, <i>E</i>)-2,4-nonadienal and octanal were close to FBM and highly correlated with grease and bean fragrance. Decanal, ethyl caproate and ethyl caprylate were highly correlated with the floral aroma and close to FBM soy whey. Sweet and fruity aromas were associated with RBFM soy whey and highly correlated with 3-methyl butanal, (<i>E</i>)-2-nonenal and nonanal. The milk aroma was close to BFM soy whey and highly correlated with 2-ethylfuran, decanal, ethyl caprylate and ethyl caproate. Overall, RBFM and BFM soy whey contained higher levels of protein and flavonoids and exhibited less beany flavour, potentially offering greater nutritional value. In contrast, the FBM soy whey exhibited a higher content of volatile flavour compounds, especially 1-octen-3-ol, <i>n</i>-hexanol, hexanal and 2-ethyl furan.</p>\u0000 </div>","PeriodicalId":170,"journal":{"name":"Flavour and Fragrance Journal","volume":"40 4","pages":"698-710"},"PeriodicalIF":2.1,"publicationDate":"2025-03-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144264701","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Naturally Occurring Monoterpene Glycosides of Plant Origin","authors":"Megha Soni, Inder Pal Singh, Uma Ranjan Lal","doi":"10.1002/ffj.3862","DOIUrl":"https://doi.org/10.1002/ffj.3862","url":null,"abstract":"<div>\u0000 \u0000 <p>Monoterpene glycosides are one of the secondary metabolites in plants and have various roles like flavour perception, flavour enhancement, storage of aroma, continuous release of aroma and so on. Monoterpene glycosides have been classified into several groups, including acyclic, monocyclic, bicyclic and irregular. This review article represents monoterpene glycosides identified and isolated from different plants during the research period in the last 17 years (2007–2023). These natural bioactive glycosides could be a good perspective for future research in the pharma, perfumery, and cosmetic industries.</p>\u0000 </div>","PeriodicalId":170,"journal":{"name":"Flavour and Fragrance Journal","volume":"40 4","pages":"613-637"},"PeriodicalIF":2.1,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144264729","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Development and Validation of a Multi-Omics Model Integrating MR Radiomics and Immune Scores for Prognostic Prediction in Locally Advanced Nasopharyngeal Carcinoma","authors":"Zhun Zhong, Feng Xiao, Dong Kuang, Qian Peng, Ling Zhu, Li Yang, Shengyu Kuang, Yunxiao Han, Kun Wu, Haibo Xu, Xiong Chen","doi":"10.1002/ffj.3861","DOIUrl":"https://doi.org/10.1002/ffj.3861","url":null,"abstract":"<div>\u0000 \u0000 <p>Despite the widespread use of the TNM staging system in nasopharyngeal carcinoma (NPC), current prognostic prediction remains suboptimal due to its inability to capture tumour heterogeneity and microenvironmental characteristics. This study aimed to develop a deep learning-based multi-omics model integrating radiomics features, immune scores and clinical characteristics to improve the prediction of 5-year progression in locally advanced NPC patients. This retrospective study included 262 locally advanced NPC patients from two centres (161 from Zhongnan Hospital and 101 from Tongji Hospital). MRI sequences (T1, T2, T1c) were pre-processed and registered. Tumour regions were automatically segmented using a pre-trained 3D-UNet model. Radiomics features were extracted and selected through univariate logistic regression, mRMR and LASSO methods. Clinical features were screened using univariate analysis, while immunological markers were analysed through multivariate logistic regression. The final combined model integrated clinical, immunological and radiomic signatures. All three constructed signatures demonstrated robust predictive capability (AUC > 0.7) across validation sets. The combined model achieved superior performance with AUCs of 0.961 in training, 0.844 in internal validation and 0.798 in external validation sets. Sensitivity and specificity reached 0.818 and 0.860, respectively, in internal validation. Decision curve analysis confirmed the highest clinical net benefit for the combined model across different threshold probabilities. This study developed a novel multi-omics model integrating radiomics, immune scores, and clinical features to predict LA-NPC prognosis. The model provides a non-invasive, cost-effective tool for clinicians to design personalised treatment plans, demonstrating significant clinical utility in both internal and external validation cohorts.</p>\u0000 </div>","PeriodicalId":170,"journal":{"name":"Flavour and Fragrance Journal","volume":"40 4","pages":"687-697"},"PeriodicalIF":2.1,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144264383","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Zhiquan Gao, Junjie Du, Yuxuan Li, Wenhui Zhu, Ying Bu, Menglin Han, Xuepeng Li
{"title":"A Novel Visualisation Approach for Assessing Flavour Characteristics of Sea Cucumber Intestines Using Chord Diagram","authors":"Zhiquan Gao, Junjie Du, Yuxuan Li, Wenhui Zhu, Ying Bu, Menglin Han, Xuepeng Li","doi":"10.1002/ffj.3860","DOIUrl":"https://doi.org/10.1002/ffj.3860","url":null,"abstract":"<div>\u0000 \u0000 <p>This study employed the flavour variations in sea cucumber intestines through sensory and instrumental analyses following different boiling and steaming treatments with water (WB, WS) or green tea water (GB, GS). A dictionary comprising eight descriptors was employed for sensory evaluation. Attributes such as tea flavour, sweet, fishy, briny, fatty, fresh, dark appearance and moist appearance were identified using Free Choice Profiling and Check-all-that-apply methods. A total of 57 volatile compounds were identified by gas chromatography-ion mobility spectrometry. According to the taste activity value (TAV), malic acid and succinic acid were identified as important flavour substances. Glutamic acid (Glu) exhibited a TAV > 1 only in the CON, WS20 and GS20 groups. Steaming exerted a less pronounced impact on flavour compared to boiling. Chord diagram analysis revealed superior efficacy for the GS20 treatment, affirming its utility in flavour assessment of sea cucumber intestines.</p>\u0000 </div>","PeriodicalId":170,"journal":{"name":"Flavour and Fragrance Journal","volume":"40 4","pages":"673-686"},"PeriodicalIF":2.1,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144264354","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Fragrance Skin Care: Research on Consumer Fragrance Preference and Emotional Value","authors":"Rong Qi, Liling Chu, Dangdang Cheng","doi":"10.1002/ffj.3858","DOIUrl":"https://doi.org/10.1002/ffj.3858","url":null,"abstract":"<div>\u0000 \u0000 <p>In order to explore consumer preference and the relationship of emotional value of high-end skin care fragrance, five high-end creams with different fragrances were selected and heavy users of skin care products with fragrance were recruited. The consumer tests were conducted using various consumer research methods, such as a 9-point Likert scale, cluster analysis, Modified Flash Profile (mFP), Check-All-That-Apply (CATA), etc., to analyse and explore the tested product from multiple dimensions of product preference, population segmentation, fragrance attributes, fragrance impression/scent-related emotions. The results showed that by screening the target consumers and conducting a combination of consumer research methods, we can gain a systematic understanding of the fragrance characteristics of high-end skin care products to support formulation development. In addition, the relationship between fragrance impressions and emotional skincare was better represented than in conventional consumer preference tests.</p>\u0000 </div>","PeriodicalId":170,"journal":{"name":"Flavour and Fragrance Journal","volume":"40 4","pages":"726-734"},"PeriodicalIF":2.1,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144264464","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}