首页 > 最新文献
paperpass

Flavour and Fragrance Journal最新文献

英文 中文
Rheological and Functional Performance of Cymbopogon flexuosus Essential Oil-Based Hydrogels for Natural Roll-On Deodorant Applications 天然滚装除臭剂香蒲精油基水凝胶的流变学和功能性能
IF 2.5 3区 农林科学 Q3 CHEMISTRY, APPLIED Pub Date : 2026-10-15 Epub Date: 2026-06-08 DOI: 10.1002/ffj.70124
Marjorie Benegra, Barbara Adrianne Zanello Broska, Jaqueline Kappke Zambianchi, Nezia de Rosso, Cezar Otaviano Ribeiro Negrão

Hydrogels based on natural polymers have been extensively investigated as carrier systems for antimicrobial actives, due to their biocompatibility and rheological properties for topical applications. In this context, the present study aimed to develop and evaluate hydrogels based on guar gum and xanthan gum, incorporating the essential oil of Cymbopogon flexuosus, for use in natural roll-on deodorants. The formulations were prepared using potassium alum as a mineral antimicrobial agent and the essential oil as a functional component, with bactericidal and aromatic properties. The rheological behaviour of the hydrogel bases and the final formulations was evaluated through flow curves, stress ramps and temperature-variation at constant shear-rate tests, with the results compared to those of a commercial roll-on deodorant. Microbiological assays were conducted using the minimum inhibitory concentration (MIC) and disk diffusion methods against Staphylococcus aureus (CMRP3251), Corynebacterium sp. (ATCC23769), Micrococcus luteus (ATCC4698) and Escherichia coli (ATCC25922). Both formulations exhibited pseudoplastic behaviour after the incorporation of the active ingredients and demonstrated effective antimicrobial activity. The xanthan gum-based hydrogels exhibited a yield stress of approximately 0.8 Pa and a viscosity exceeding 500 Pa·s at low shear rates, indicating greater retention capacity and stability at rest. In contrast, the guar gum-based systems did not show yield stress and exhibited lower initial viscosity. The results indicate that hydrogels containing xanthan gum perform improved for roll-on applications, offering better flow control, stability and potential for use in natural deodorant formulations.

基于天然聚合物的水凝胶由于其局部应用的生物相容性和流变性能,已被广泛研究作为抗菌活性的载体系统。在此背景下,本研究旨在开发和评价以瓜尔胶和黄原胶为基础的水凝胶,并加入香蒲精油,用于天然滚涂除臭剂。该配方以明矾钾为矿物抗菌剂,精油为功能成分,具有杀菌和芳香特性。在恒定剪切速率下,通过流动曲线、应力坡道和温度变化来评估水凝胶基和最终配方的流变行为,并将结果与商业滚涂除臭剂的结果进行比较。采用最小抑菌浓度法(MIC)和纸片扩散法对金黄色葡萄球菌(CMRP3251)、棒状杆菌(ATCC23769)、黄体微球菌(ATCC4698)和大肠杆菌(ATCC25922)进行微生物学检测。两种制剂在掺入活性成分后均表现出假塑性行为,并表现出有效的抗菌活性。在低剪切速率下,黄原胶基水凝胶的屈服应力约为0.8 Pa,粘度超过500 Pa·s,显示出更大的静止保持能力和稳定性。相比之下,瓜尔胶基体系没有屈服应力,初始粘度也较低。结果表明,含有黄原胶的水凝胶在滚涂应用中表现更好,具有更好的流量控制、稳定性和在天然除臭剂配方中的应用潜力。
{"title":"Rheological and Functional Performance of Cymbopogon flexuosus Essential Oil-Based Hydrogels for Natural Roll-On Deodorant Applications","authors":"Marjorie Benegra,&nbsp;Barbara Adrianne Zanello Broska,&nbsp;Jaqueline Kappke Zambianchi,&nbsp;Nezia de Rosso,&nbsp;Cezar Otaviano Ribeiro Negrão","doi":"10.1002/ffj.70124","DOIUrl":"https://doi.org/10.1002/ffj.70124","url":null,"abstract":"<div>\u0000 \u0000 <p>Hydrogels based on natural polymers have been extensively investigated as carrier systems for antimicrobial actives, due to their biocompatibility and rheological properties for topical applications. In this context, the present study aimed to develop and evaluate hydrogels based on guar gum and xanthan gum, incorporating the essential oil of <i>Cymbopogon flexuosus</i>, for use in natural roll-on deodorants. The formulations were prepared using potassium alum as a mineral antimicrobial agent and the essential oil as a functional component, with bactericidal and aromatic properties. The rheological behaviour of the hydrogel bases and the final formulations was evaluated through flow curves, stress ramps and temperature-variation at constant shear-rate tests, with the results compared to those of a commercial roll-on deodorant. Microbiological assays were conducted using the minimum inhibitory concentration (MIC) and disk diffusion methods against <i>Staphylococcus aureus</i> (CMRP3251), <i>Corynebacterium</i> sp. (ATCC23769), <i>Micrococcus luteus</i> (ATCC4698) and <i>Escherichia coli</i> (ATCC25922). Both formulations exhibited pseudoplastic behaviour after the incorporation of the active ingredients and demonstrated effective antimicrobial activity. The xanthan gum-based hydrogels exhibited a yield stress of approximately 0.8 Pa and a viscosity exceeding 500 Pa·s at low shear rates, indicating greater retention capacity and stability at rest. In contrast, the guar gum-based systems did not show yield stress and exhibited lower initial viscosity. The results indicate that hydrogels containing xanthan gum perform improved for roll-on applications, offering better flow control, stability and potential for use in natural deodorant formulations.</p>\u0000 </div>","PeriodicalId":170,"journal":{"name":"Flavour and Fragrance Journal","volume":"41 6","pages":"1517-1525"},"PeriodicalIF":2.5,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149176903","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}
引用次数: 0
Cross-Modal Interaction Between Menthol Odour and Visual Colours for Improving the Emotion Regulation 薄荷气味与视觉颜色的跨模态相互作用对改善情绪调节的影响
IF 2.5 3区 农林科学 Q3 CHEMISTRY, APPLIED Pub Date : 2026-10-15 Epub Date: 2026-06-23 DOI: 10.1002/ffj.70132
Haiyan Yu, Feng Zhang, Huan Cheng, Haifang Mao, Chen Chen, Jibo Liu, Xin Pan, Huaixiang Tian

Sensory properties of food mainly included aroma, appearance, taste and others, which cannot be perceived independently. In this work, we evaluated the effect of the interaction between menthol odour and visual colours including red, green and blue, on the emotion regulation using sensory evaluation and electroencephalography analysis. The results showed that menthol stimuli with a concentration of 0.1% exhibited the highest positive effect scores under green colour compared with other treatments. Meanwhile, the green colour with menthol stimuli could result in significantly higher α and θ wave power spectral densities in subjects compared with other groups. Correlation analysis results demonstrated a significant correlation between the power spectral density (PSD) of α and θ bands in the parieto-occipital region and feelings of tranquillity and overall comfort, implying the cross-modal interaction between menthol odour and green colours. This study provides preliminary neurophysiological evidence for cross-modal emotional regulation and suggests potential practical implications for packaging design and environmental optimization of menthol-containing products.

食物的感官特性主要包括香气、外观、味道等,不能独立感知。在这项工作中,我们评估了薄荷气味和视觉颜色(包括红、绿、蓝)之间的相互作用对情绪调节的影响,采用感官评价和脑电图分析。结果表明,与其他处理相比,0.1%浓度的薄荷醇刺激在绿色下表现出最高的正效应得分。与此同时,绿色薄荷醇刺激可显著提高受试者的α和θ波功率谱密度。相关分析结果表明,顶枕区α和θ波段的功率谱密度(PSD)与宁静感和整体舒适感之间存在显著相关,表明薄荷气味与绿色之间存在跨模态相互作用。该研究为跨模态情绪调节提供了初步的神经生理学证据,并为含薄荷醇产品的包装设计和环境优化提供了潜在的实际意义。
{"title":"Cross-Modal Interaction Between Menthol Odour and Visual Colours for Improving the Emotion Regulation","authors":"Haiyan Yu,&nbsp;Feng Zhang,&nbsp;Huan Cheng,&nbsp;Haifang Mao,&nbsp;Chen Chen,&nbsp;Jibo Liu,&nbsp;Xin Pan,&nbsp;Huaixiang Tian","doi":"10.1002/ffj.70132","DOIUrl":"https://doi.org/10.1002/ffj.70132","url":null,"abstract":"<div>\u0000 \u0000 <p>Sensory properties of food mainly included aroma, appearance, taste and others, which cannot be perceived independently. In this work, we evaluated the effect of the interaction between menthol odour and visual colours including red, green and blue, on the emotion regulation using sensory evaluation and electroencephalography analysis. The results showed that menthol stimuli with a concentration of 0.1% exhibited the highest positive effect scores under green colour compared with other treatments. Meanwhile, the green colour with menthol stimuli could result in significantly higher <i>α</i> and <i>θ</i> wave power spectral densities in subjects compared with other groups. Correlation analysis results demonstrated a significant correlation between the power spectral density (PSD) of <i>α</i> and <i>θ</i> bands in the parieto-occipital region and feelings of tranquillity and overall comfort, implying the cross-modal interaction between menthol odour and green colours. This study provides preliminary neurophysiological evidence for cross-modal emotional regulation and suggests potential practical implications for packaging design and environmental optimization of menthol-containing products.</p>\u0000 </div>","PeriodicalId":170,"journal":{"name":"Flavour and Fragrance Journal","volume":"41 6","pages":"1416-1425"},"PeriodicalIF":2.5,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149177496","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}
引用次数: 0
Oleanolic Acid Inhibits Acetylcholinesterase and Butyrylcholinesterase Through Gorge-Dependent Allosteric Mechanisms: An Integrated Kinetic and Molecular Dynamics Study 齐墩果酸通过峡谷依赖性变构机制抑制乙酰胆碱酯酶和丁基胆碱酯酶:综合动力学和分子动力学研究
IF 2.5 3区 农林科学 Q3 CHEMISTRY, APPLIED Pub Date : 2026-10-15 Epub Date: 2026-06-25 DOI: 10.1002/ffj.70126
Asaad Khalid, Fettouma Chraa, Doha EL Meskini, Hafiz A. Makeen, Rym Hassani, Mohammed Albratty, Zia Ur Rehman, Abdelhakim Bouyahya, Tarik Aanniz

Potent cholinesterase inhibitors are needed for their key role in the management of neurodegenerative disorders including Alzheimer disease (AD). Oleanolic acid, a pentacyclic triterpene with known neuroprotective activity, was deeply studied as a dual inhibitor of acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) through combined in vitro enzyme kinetics, molecular docking and dynamics simulations. Oleanolic acid inhibited both enzymes through a non-competitive mode, with IC50 of 18.54 ± 0.3 μM for AChE and 66.46 ± 0.4 μM for BChE, and an identical Kᵢ of 10 ± 0.1 μM. This AChE selectivity despite equal binding affinity forms an apparent paradox that was resolved by gorge architecture. MD simulations showed that oleanolic acid migrated away from its initial docked position in the narrow AChE gorge to peripheral/PAS-adjacent residues, consistent with the non-competitive kinetic profile and blind docking. In contrast, the wider BChE gorge stably accommodated the ligand through the trajectory, with targeted and blind docking converging on the same intra-gorge site. The greater AChE inhibitory potency is attributable to the disruption of substrate-guidance and gorge-breathing dynamics in the architecturally constrained AChE system. These findings establish oleanolic acid as a gorge-architecture-dependent allosteric modulator of both cholinesterase isoforms and support its potential as a scaffold for developing dual ChE inhibitors for AD.

有效的胆碱酯酶抑制剂在包括阿尔茨海默病(AD)在内的神经退行性疾病的治疗中发挥着关键作用。齐墩果酸是一种已知具有神经保护活性的五环三萜,通过结合体外酶动力学、分子对接和动力学模拟,对齐墩果酸作为乙酰胆碱酯酶(AChE)和丁基胆碱酯酶(BChE)的双重抑制剂进行了深入研究。齐墩果酸通过非竞争模式抑制这两种酶,AChE和BChE的IC50分别为18.54±0.3 μM和66.46±0.4 μM, K′′均为10±0.1 μM。尽管具有相同的结合亲和力,但乙酰胆碱酯酶的选择性形成了一个明显的悖论,该悖论由峡谷结构解决。MD模拟表明,齐墩果酸从最初在狭窄的AChE峡谷中的对接位置迁移到周边/ pas邻近残基,符合非竞争动力学曲线和盲对接。相比之下,更宽的BChE峡通过轨迹稳定地容纳配体,靶向和盲对接在同一峡内位点收敛。更大的乙酰胆碱酯抑制效力可归因于在结构受限的乙酰胆碱酯系统中底物引导和峡谷呼吸动力学的破坏。这些发现证实齐墩果酸是胆碱酯酶两种亚型的大结构依赖性变构调节剂,并支持其作为开发双ChE抑制剂的支架的潜力。
{"title":"Oleanolic Acid Inhibits Acetylcholinesterase and Butyrylcholinesterase Through Gorge-Dependent Allosteric Mechanisms: An Integrated Kinetic and Molecular Dynamics Study","authors":"Asaad Khalid,&nbsp;Fettouma Chraa,&nbsp;Doha EL Meskini,&nbsp;Hafiz A. Makeen,&nbsp;Rym Hassani,&nbsp;Mohammed Albratty,&nbsp;Zia Ur Rehman,&nbsp;Abdelhakim Bouyahya,&nbsp;Tarik Aanniz","doi":"10.1002/ffj.70126","DOIUrl":"https://doi.org/10.1002/ffj.70126","url":null,"abstract":"<div>\u0000 \u0000 <p>Potent cholinesterase inhibitors are needed for their key role in the management of neurodegenerative disorders including Alzheimer disease (AD). Oleanolic acid, a pentacyclic triterpene with known neuroprotective activity, was deeply studied as a dual inhibitor of acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) through combined in vitro enzyme kinetics, molecular docking and dynamics simulations. Oleanolic acid inhibited both enzymes through a non-competitive mode, with IC<sub>50</sub> of 18.54 ± 0.3 μM for AChE and 66.46 ± 0.4 μM for BChE, and an identical <i>Kᵢ</i> of 10 ± 0.1 μM. This AChE selectivity despite equal binding affinity forms an apparent paradox that was resolved by gorge architecture. MD simulations showed that oleanolic acid migrated away from its initial docked position in the narrow AChE gorge to peripheral/PAS-adjacent residues, consistent with the non-competitive kinetic profile and blind docking. In contrast, the wider BChE gorge stably accommodated the ligand through the trajectory, with targeted and blind docking converging on the same intra-gorge site. The greater AChE inhibitory potency is attributable to the disruption of substrate-guidance and gorge-breathing dynamics in the architecturally constrained AChE system. These findings establish oleanolic acid as a gorge-architecture-dependent allosteric modulator of both cholinesterase isoforms and support its potential as a scaffold for developing dual ChE inhibitors for AD.</p>\u0000 </div>","PeriodicalId":170,"journal":{"name":"Flavour and Fragrance Journal","volume":"41 6","pages":"1502-1516"},"PeriodicalIF":2.5,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149177588","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}
引用次数: 0
Impact of Ionised Species on Antioxidant Enhancement in Fabaceae Plants 离子化物质对豆科植物抗氧化增强的影响
IF 2.5 3区 农林科学 Q3 CHEMISTRY, APPLIED Pub Date : 2026-10-15 Epub Date: 2026-06-16 DOI: 10.1002/ffj.70129
Amrita Harikumar Vijayakumari, Bangalore Suryanarayanaiah Rajanikanth, Prasanna Ramani

The Fabaceae family is the second largest plant family and is distributed across a variety of ecosystems. This study explores the use of pulsed-discharge plasma as a seed pre-treatment for green gram (Vigna radiata) and fenugreek (Trigonella foenum-graecum), with a focus on their germination and antioxidant activity. Seeds were subjected to plasma for varying durations using a multiple pin reactor powered by high-voltage pulses (18 kV, 80 Hz). Optimal germination rates were observed at 4 min for green gram and 20 s for fenugreek. Morphological changes were analysed using SEM and FT-IR. Additionally, antioxidant activity was evaluated using DPPH assays, along with assessments of total phenolic content and total antioxidant capacity, alongside phytochemical screening and nutritional analyses.

豆科是第二大植物科,分布在各种生态系统中。本研究探讨了脉冲放电等离子体作为绿克(Vigna radiata)和胡芦巴(Trigonella foenum-graecum)种子预处理的使用,重点研究了它们的发芽和抗氧化活性。使用高压脉冲(18千伏,80赫兹)驱动的多管脚反应器,将种子置于不同持续时间的等离子体中。绿克和胡芦巴的最佳发芽率分别为4 min和20 s。利用扫描电镜(SEM)和傅里叶变换红外光谱(FT-IR)分析其形态学变化。此外,利用DPPH测定、总酚含量和总抗氧化能力评估、植物化学筛选和营养分析来评估抗氧化活性。
{"title":"Impact of Ionised Species on Antioxidant Enhancement in Fabaceae Plants","authors":"Amrita Harikumar Vijayakumari,&nbsp;Bangalore Suryanarayanaiah Rajanikanth,&nbsp;Prasanna Ramani","doi":"10.1002/ffj.70129","DOIUrl":"https://doi.org/10.1002/ffj.70129","url":null,"abstract":"<div>\u0000 \u0000 <p>The Fabaceae family is the second largest plant family and is distributed across a variety of ecosystems. This study explores the use of pulsed-discharge plasma as a seed pre-treatment for green gram (<i>Vigna radiata</i>) and fenugreek (<i>Trigonella foenum-graecum</i>), with a focus on their germination and antioxidant activity. Seeds were subjected to plasma for varying durations using a multiple pin reactor powered by high-voltage pulses (18 kV, 80 Hz). Optimal germination rates were observed at 4 min for green gram and 20 s for fenugreek. Morphological changes were analysed using SEM and FT-IR. Additionally, antioxidant activity was evaluated using DPPH assays, along with assessments of total phenolic content and total antioxidant capacity, alongside phytochemical screening and nutritional analyses.</p>\u0000 </div>","PeriodicalId":170,"journal":{"name":"Flavour and Fragrance Journal","volume":"41 6","pages":"1526-1537"},"PeriodicalIF":2.5,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149177338","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}
引用次数: 0
Refined Supercritical CO2 Extract of Roman Chamomile Exhibits Enhanced Anti-Inflammatory Potential: A Comparative Chemical and Network Pharmacology Study 罗马洋甘菊精超临界CO2萃取物显示增强抗炎潜能:化学和网络药理学的比较研究
IF 2.5 3区 农林科学 Q3 CHEMISTRY, APPLIED Pub Date : 2026-10-15 Epub Date: 2026-06-06 DOI: 10.1002/ffj.70122
Yuyu Wang, Juan Xie, Lin Wang, Zhen Dong

Roman chamomile essential oil is valued in aromatherapy for its sedative and anti-inflammatory effects, yet systematic comparisons of extracts obtained by different methods are limited. To compare the volatile profiles of Roman chamomile obtained by headspace solid-phase microextraction (HS-SPME), steam distillation (SD) and refined supercritical CO2 extraction (SFE-CO2), and to investigate the anti-inflammatory mechanisms of the refined SFE-CO2 extract via network pharmacology. Volatile constituents were analysed by GC–MS. Multivariate statistics identified core differential compounds. Skin permeability was predicted using SwissADME. Network pharmacology was employed to explore anti-inflammatory mechanisms. A total of 122 compounds were identified. HS-SPME and SD extracts were dominated by esters and terpenes, whereas refined SFE-CO2 extract was enriched in aldehydes, fatty acids, alkanes and a phthalide derivative. Twenty-one core differential compounds were identified; 15 enriched in SFE-CO2 exhibited favourable predicted skin permeability. These 15 compounds targeted 15 skin inflammation-associated proteins, forming a network centred on adhesion molecules (ICAM1, VCAM1, selectins) and signalling mediators (STAT3, TLR2), with enrichment in leukocyte adhesion, AGE-RAGE and lipid metabolism pathways. SD-enriched compounds yielded only four skin-inflammation targets with minimal network connectivity. Extraction method dictates chemical composition and predicted therapeutic potential. Refined SFE-CO2 extract possesses enhanced anti-inflammatory properties suitable for topical applications, providing a scientific basis for precision aromatherapy.

罗马洋甘菊精油因其镇静和抗炎作用而在芳香疗法中受到重视,但通过不同方法获得的提取物的系统比较有限。比较顶空固相微萃取(HS-SPME)、蒸汽蒸馏法(SD)和超临界CO2精制萃取法(SFE-CO2)提取罗马洋甘菊的挥发性特征,并通过网络药理学研究超临界CO2精制提取物的抗炎作用机制。采用气相色谱-质谱法分析挥发性成分。多元统计鉴定出核心差异化合物。使用SwissADME预测皮肤通透性。采用网络药理学方法探讨抗炎机制。共鉴定出122个化合物。HS-SPME和SD萃取物主要由酯类和萜烯类组成,而SFE-CO2萃取物则富含醛类、脂肪酸、烷烃和邻苯酞衍生物。鉴定出21个核心差异化合物;富SFE-CO2的15株表现出良好的皮肤渗透性。这15种化合物靶向15种皮肤炎症相关蛋白,形成以粘附分子(ICAM1、VCAM1、选择素)和信号介质(STAT3、TLR2)为中心的网络,富集于白细胞粘附、AGE-RAGE和脂质代谢途径。富含sd的化合物只产生了四个皮肤炎症目标,网络连通性最低。提取方法决定化学成分和预测治疗潜力。精制SFE-CO2提取物具有增强的抗炎特性,适合局部应用,为精确芳香疗法提供科学依据。
{"title":"Refined Supercritical CO2 Extract of Roman Chamomile Exhibits Enhanced Anti-Inflammatory Potential: A Comparative Chemical and Network Pharmacology Study","authors":"Yuyu Wang,&nbsp;Juan Xie,&nbsp;Lin Wang,&nbsp;Zhen Dong","doi":"10.1002/ffj.70122","DOIUrl":"https://doi.org/10.1002/ffj.70122","url":null,"abstract":"<div>\u0000 \u0000 <p>Roman chamomile essential oil is valued in aromatherapy for its sedative and anti-inflammatory effects, yet systematic comparisons of extracts obtained by different methods are limited. To compare the volatile profiles of Roman chamomile obtained by headspace solid-phase microextraction (HS-SPME), steam distillation (SD) and refined supercritical CO<sub>2</sub> extraction (SFE-CO<sub>2</sub>), and to investigate the anti-inflammatory mechanisms of the refined SFE-CO<sub>2</sub> extract via network pharmacology. Volatile constituents were analysed by GC–MS. Multivariate statistics identified core differential compounds. Skin permeability was predicted using SwissADME. Network pharmacology was employed to explore anti-inflammatory mechanisms. A total of 122 compounds were identified. HS-SPME and SD extracts were dominated by esters and terpenes, whereas refined SFE-CO<sub>2</sub> extract was enriched in aldehydes, fatty acids, alkanes and a phthalide derivative. Twenty-one core differential compounds were identified; 15 enriched in SFE-CO<sub>2</sub> exhibited favourable predicted skin permeability. These 15 compounds targeted 15 skin inflammation-associated proteins, forming a network centred on adhesion molecules (ICAM1, VCAM1, selectins) and signalling mediators (STAT3, TLR2), with enrichment in leukocyte adhesion, AGE-RAGE and lipid metabolism pathways. SD-enriched compounds yielded only four skin-inflammation targets with minimal network connectivity. Extraction method dictates chemical composition and predicted therapeutic potential. Refined SFE-CO<sub>2</sub> extract possesses enhanced anti-inflammatory properties suitable for topical applications, providing a scientific basis for precision aromatherapy.</p>\u0000 </div>","PeriodicalId":170,"journal":{"name":"Flavour and Fragrance Journal","volume":"41 6","pages":"1379-1398"},"PeriodicalIF":2.5,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149177349","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}
引用次数: 0
Evaluation of Performance of a Polymer-Based Fixative (FIXSCENT) on the Controlled Release Kinetics and Longevity of Top and Heart Notes of Alcoholic Perfume 聚合物基固定剂(FIXSCENT)对酒精香水前味和后味控释动力学及寿命的影响
IF 2.5 3区 农林科学 Q3 CHEMISTRY, APPLIED Pub Date : 2026-10-15 Epub Date: 2026-07-13 DOI: 10.1002/ffj.70134
Hassan A. Alhazmi, Abdulrahman N. Qramish, Thamer Mousa Hakami, Rasmiah S. AlMufarij, Waquar Ahsan, Asim Najmi, Khalid Zoghebi, Mohammed Albratty

The development of high-quality perfumes requires the longevity and release profile of their fragrance components, particularly the top and heart notes. There are several approaches employed to reduce the rate of evaporation of its volatile aromatic compounds; one of those is the use of effective delivery technologies to control the release and evaporation of the highly volatile aromatic components. The sustained release fragrance formulations are trade secrets of perfume manufacturers, and only a limited number of sustained release reagents are available in the market. However, the performance of such reagents on the sustained release kinetics of fragrance components remains underexplored. In the present study, the effect of varying concentrations of a modern fixative (FIXSCENT-2%) on the evaporation and release patterns of top notes and heart notes of a model perfume formulation was studied. A series of perfume samples (20% w/w) containing varying concentrations of FIXSCENT (0%, 5%, and 10% w/w) was prepared, and the release of selected top notes and heart notes was monitored over 24 h using a combination of gas chromatography–mass spectrometry (GC–MS) and sensory evaluation techniques. The results indicated a sustained release pattern and a significant delay in the release of both top and heart notes upon addition of 5% FIXSCENT; however, exceeding its concentration from 5% to 10% showed lesser performance, which could be due to over-network trapping of the perfume components. The addition of 5% fixative successfully prolonged the retention of top notes by 94.46%, while the heart notes experienced a delay in the release by 59.97%. On the other hand, the addition of 10% fixative showed a 47.50% increase in the retention of top notes and a 48.36% increase in the heart notes. These findings suggested that the controlled use of this fixative product, FIXSCENT, can effectively control the release and evaporation of volatile components in perfumes without affecting the smell intensity, and thereby can enhance their longevity, endurance, and user experience.

高品质香水的开发需要其香味成分的寿命和释放特征,特别是前调和心调。有几种方法用于降低其挥发性芳香族化合物的蒸发速率;其中之一是使用有效的输送技术来控制高挥发性芳香成分的释放和蒸发。缓释香精配方是香水生产企业的商业秘密,市场上的缓释试剂数量有限。然而,这些试剂对香精成分缓释动力学的影响还有待进一步研究。在本研究中,研究了不同浓度的现代固定剂(FIXSCENT-2%)对模型香水配方的前调和心调蒸发和释放模式的影响。制备了一系列含有不同浓度FIXSCENT(0%、5%和10% w/w)的香水样品(20% w/w),并使用气相色谱-质谱联用技术和感官评价技术在24 h内监测选定的顶级调和核心调的释放。结果表明,添加5% FIXSCENT后,前调和心调的释放均呈持续释放模式,且释放时间明显延迟;然而,当其浓度从5%增加到10%时,表现出较差的性能,这可能是由于香水成分的超网络捕获。添加5%固定剂后,前音的保留率提高了94.46%,而心音的保留率提高了59.97%。另一方面,添加10%固定液后,前音的保留率提高了47.50%,心音的保留率提高了48.36%。综上所述,本固定剂FIXSCENT的可控使用可以有效控制香水中挥发性成分的释放和蒸发,而不影响香气强度,从而提高香水的使用寿命、使用寿命和使用体验。
{"title":"Evaluation of Performance of a Polymer-Based Fixative (FIXSCENT) on the Controlled Release Kinetics and Longevity of Top and Heart Notes of Alcoholic Perfume","authors":"Hassan A. Alhazmi,&nbsp;Abdulrahman N. Qramish,&nbsp;Thamer Mousa Hakami,&nbsp;Rasmiah S. AlMufarij,&nbsp;Waquar Ahsan,&nbsp;Asim Najmi,&nbsp;Khalid Zoghebi,&nbsp;Mohammed Albratty","doi":"10.1002/ffj.70134","DOIUrl":"https://doi.org/10.1002/ffj.70134","url":null,"abstract":"<p>The development of high-quality perfumes requires the longevity and release profile of their fragrance components, particularly the top and heart notes. There are several approaches employed to reduce the rate of evaporation of its volatile aromatic compounds; one of those is the use of effective delivery technologies to control the release and evaporation of the highly volatile aromatic components. The sustained release fragrance formulations are trade secrets of perfume manufacturers, and only a limited number of sustained release reagents are available in the market. However, the performance of such reagents on the sustained release kinetics of fragrance components remains underexplored. In the present study, the effect of varying concentrations of a modern fixative (FIXSCENT-2%) on the evaporation and release patterns of top notes and heart notes of a model perfume formulation was studied. A series of perfume samples (20% <i>w/w</i>) containing varying concentrations of FIXSCENT (0%, 5%, and 10% <i>w/w</i>) was prepared, and the release of selected top notes and heart notes was monitored over 24 h using a combination of gas chromatography–mass spectrometry (GC–MS) and sensory evaluation techniques. The results indicated a sustained release pattern and a significant delay in the release of both top and heart notes upon addition of 5% FIXSCENT; however, exceeding its concentration from 5% to 10% showed lesser performance, which could be due to over-network trapping of the perfume components. The addition of 5% fixative successfully prolonged the retention of top notes by 94.46%, while the heart notes experienced a delay in the release by 59.97%. On the other hand, the addition of 10% fixative showed a 47.50% increase in the retention of top notes and a 48.36% increase in the heart notes. These findings suggested that the controlled use of this fixative product, FIXSCENT, can effectively control the release and evaporation of volatile components in perfumes without affecting the smell intensity, and thereby can enhance their longevity, endurance, and user experience.</p>","PeriodicalId":170,"journal":{"name":"Flavour and Fragrance Journal","volume":"41 6","pages":"1552-1562"},"PeriodicalIF":2.5,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ffj.70134","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149177160","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Integrative Investigation of Pancratium maritimum (Amaryllidaceae) Essential Oil: Chemical Profiling During Two Different Growth Stages, Allelopathic, Amylase Inhibitory Activities, and Molecular Docking Analysis 海菖蒲(Amaryllidaceae)精油的综合研究:两个不同生长阶段的化学特征、化感作用、淀粉酶抑制活性和分子对接分析
IF 2.5 3区 农林科学 Q3 CHEMISTRY, APPLIED Pub Date : 2026-10-15 Epub Date: 2026-08-03 DOI: 10.1002/ffj.70141
Marwa Melliti, Mabrouk Horchani, Hayet Edziri

The essential oil composition of the aerial parts of Pancratium maritimum L., a fragrant plant, growing in Djerba Island (South of Tunisia) in two development stages is discussed in this research, with a focus on its allelopathic properties and α-amylase inhibition. In fact, phytochemicals in Pancratium maritimum essential oils during vegetative and flowering seasons were identified by gas chromatography-FID and gas chromatography/mass spectrometry. An in vitro spectrophotometric assay based on a colorimetric method was used to test the α-amylase inhibitory effect. Eventually, allelopathic effects against radish and lettuce seeds germination as well as roots and stems elongation were assessed by an in vitro test, and an in silico study via molecular docking was performed to identify a possible mechanism of action that correlated with the α-amylase inhibitory and allelopathic effects. Results showed a significant difference between the two tested essential oils: phenylpropanoids (9.9%), alcohols (39.7%), and hydrogenated monoterpenes (5.49%) were abundant during flowering season; however, diterpene alcohols (20.76%) and hydrocarbons (14.68%) were among the predominant phytochemicals found in the vegetative stage. α-Amylase Inhibition assay demonstrated that the inhibitory effect reached 86.2% at 2.5 mg/mL and 90.14% at 5 mg/mL. Allelopathic activity of Pancratium maritimum essential oil displayed high germination inhibition (70.85% for lettuce seeds) and it significantly inhibits the elongation of radish stems and lettuce roots by 93.63% and 90.7%, respectively, at a concentration of 4 mg/mL. In addition, primary oil components showed substantial inhibitory effect against human pancreatic α-amylase and 4-hydroxyphenylpyruvated oxygenase (HPPD), according to molecular docking study. These results highlight P. maritimum essential oil's potential as a hypoglycemic and allelopathic agent that affects radish and lettuce development and seed germination.

本研究对生长在突尼斯南部Djerba岛的芳香植物水烟(Pancratium maritimum L.)地上部分的精油成分进行了研究,重点研究了其化感作用和α-淀粉酶抑制作用。实际上,利用气相色谱- fid和气相色谱-质谱联用技术对营养期和花期的水虎藤精油中的植物化学物质进行了鉴定。采用比色法体外分光光度法测定α-淀粉酶抑制作用。最后,通过体外实验评估了化感作用对萝卜和生菜种子发芽以及根和茎伸长的影响,并通过分子对接进行了计算机研究,以确定α-淀粉酶抑制和化感作用的可能作用机制。结果表明,两种精油在花期含量差异显著:苯丙素(9.9%)、醇类(39.7%)和氢化单萜(5.49%)含量丰富;然而,二萜醇(20.76%)和碳氢化合物(14.68%)是在营养阶段发现的主要植物化学物质。α-淀粉酶抑制实验表明,在2.5 mg/mL浓度下α-淀粉酶抑制率为86.2%,在5 mg/mL浓度下α-淀粉酶抑制率为90.14%。在浓度为4 mg/mL时,水芹精油的化感作用对莴苣种子的萌发抑制率为70.85%,对萝卜茎和莴苣根的伸长抑制率分别为93.63%和90.7%。此外,分子对接研究表明,精油主要成分对人胰腺α-淀粉酶和4-羟基苯基丙酮酸加氧酶(HPPD)具有明显的抑制作用。这些结果突出了海棠精油作为影响萝卜和生菜发育和种子萌发的降糖和化感剂的潜力。
{"title":"Integrative Investigation of Pancratium maritimum (Amaryllidaceae) Essential Oil: Chemical Profiling During Two Different Growth Stages, Allelopathic, Amylase Inhibitory Activities, and Molecular Docking Analysis","authors":"Marwa Melliti,&nbsp;Mabrouk Horchani,&nbsp;Hayet Edziri","doi":"10.1002/ffj.70141","DOIUrl":"https://doi.org/10.1002/ffj.70141","url":null,"abstract":"<div>\u0000 \u0000 <p>The essential oil composition of the aerial parts of <i>Pancratium maritimum</i> L., a fragrant plant, growing in Djerba Island (South of Tunisia) in two development stages is discussed in this research, with a focus on its allelopathic properties and α-amylase inhibition. In fact, phytochemicals in <i>Pancratium maritimum</i> essential oils during vegetative and flowering seasons were identified by gas chromatography-FID and gas chromatography/mass spectrometry. An in vitro spectrophotometric assay based on a colorimetric method was used to test the α-amylase inhibitory effect. Eventually, allelopathic effects against radish and lettuce seeds germination as well as roots and stems elongation were assessed by an in vitro test, and an <i>in silico</i> study via molecular docking was performed to identify a possible mechanism of action that correlated with the α-amylase inhibitory and allelopathic effects. Results showed a significant difference between the two tested essential oils: phenylpropanoids (9.9%), alcohols (39.7%), and hydrogenated monoterpenes (5.49%) were abundant during flowering season; however, diterpene alcohols (20.76%) and hydrocarbons (14.68%) were among the predominant phytochemicals found in the vegetative stage. α-Amylase Inhibition assay demonstrated that the inhibitory effect reached 86.2% at 2.5 mg/mL and 90.14% at 5 mg/mL. Allelopathic activity of <i>Pancratium maritimum</i> essential oil displayed high germination inhibition (70.85% for lettuce seeds) and it significantly inhibits the elongation of radish stems and lettuce roots by 93.63% and 90.7%, respectively, at a concentration of 4 mg/mL. In addition, primary oil components showed substantial inhibitory effect against human pancreatic α-amylase and 4-hydroxyphenylpyruvated oxygenase (HPPD), according to molecular docking study. These results highlight <i>P. maritimum</i> essential oil's potential as a hypoglycemic and allelopathic agent that affects radish and lettuce development and seed germination.</p>\u0000 </div>","PeriodicalId":170,"journal":{"name":"Flavour and Fragrance Journal","volume":"41 6","pages":"1579-1595"},"PeriodicalIF":2.5,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149177229","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}
引用次数: 0
Fungitoxic Potential of Secondary Eucalyptus Metabolites in the Inhibition of Neopestalotiopsis clavispora Isolated From Macadamia 桉树次生代谢物抑菌潜力对夏威夷新拟盘多毛孢的抑制作用
IF 2.5 3区 农林科学 Q3 CHEMISTRY, APPLIED Pub Date : 2026-10-15 Epub Date: 2026-07-02 DOI: 10.1002/ffj.70121
Dalton Longue Júnior, Catia dos Santos Libarino, Quelmo Silva de Novaes, Patrícia Baier Krepsky, Gabriela Nunes Santana, Bruno Oliveira Moreira, Laura da Silva Rocha, Victor Vinicius Sousa Martinelli Sales

Fungal diseases are responsible for serious injury in forest plantations. The aim of this work was to evaluate the fungitoxic potential of the secondary metabolites in Corymbia citriodora, Eucalyptus camaldulensis and Eucalyptus urophylla leaves for inhibiting the mycelial growth of the Neopestalotiopsis clavisporafungus isolated from macadamia. The essential oils were obtained by the steam drag technique and the aqueous plant extracts by the turbolysis technique, where the yield was determined by the gravimetric method. N. clavispora fungus was cultivated in PDA culture medium with plant extracts at the 18,000, 36,000 and 54,000 ppm dosages and essential oils at the 30, 80, 130 and 180 ppm dosages. The colonies were evaluated after seven days of incubation considering their diameters and the mycelial growth inhibition percentage of the fungus. C. citriodora essential oil provided 100% inhibition at all tested dosages. Essential oils and plant extracts showed better inhibition efficiency when using higher dosages. C. citriodora essential oil was classified as a fungicide in high dosages and fungistatic in low dosages, in addition to the plant extracts of all studied species. Plant extracts provided less inhibition than essential oils. C. citriodora essential oil showed high inhibition efficiency in all tested doses. The presence of citronellal and citronellol compounds in the C. citriodora essential oil were more associated to the fungicidal effect.

真菌病是造成人工林严重伤害的主要原因。本研究的目的是评价柑橘、桉叶和尾叶桉叶次生代谢物对澳洲坚果中分离的新拟多毛孢菌丝生长的抑制潜力。精油采用蒸汽拖拽法提取,植物水提取物采用涡轮分解法提取,其中产量采用重量法测定。在PDA培养基中分别添加1.8万、3.6万和5.4万ppm的植物提取物和30、80、130和180 ppm的精油。孵育7天后,根据菌落直径和菌丝生长抑制率对菌落进行评价。柑橘精油在所有试验剂量下均具有100%的抑制作用。精油和植物提取物用量越大,抑制效果越好。除所有研究物种的植物提取物外,柠檬酸精油还被归类为高剂量的杀菌剂和低剂量的抑菌剂。植物提取物的抑制作用比精油小。香茅精油在各剂量下均表现出较高的抑菌效果。香茅精油中香茅醛和香茅醛化合物的存在与香茅精油的杀真菌作用关系更大。
{"title":"Fungitoxic Potential of Secondary Eucalyptus Metabolites in the Inhibition of Neopestalotiopsis clavispora Isolated From Macadamia","authors":"Dalton Longue Júnior,&nbsp;Catia dos Santos Libarino,&nbsp;Quelmo Silva de Novaes,&nbsp;Patrícia Baier Krepsky,&nbsp;Gabriela Nunes Santana,&nbsp;Bruno Oliveira Moreira,&nbsp;Laura da Silva Rocha,&nbsp;Victor Vinicius Sousa Martinelli Sales","doi":"10.1002/ffj.70121","DOIUrl":"https://doi.org/10.1002/ffj.70121","url":null,"abstract":"<p>Fungal diseases are responsible for serious injury in forest plantations. The aim of this work was to evaluate the fungitoxic potential of the secondary metabolites in <i>Corymbia citriodora</i>, <i>Eucalyptus camaldulensis</i> and <i>Eucalyptus urophylla</i> leaves for inhibiting the mycelial growth of the <i>Neopestalotiopsis clavispora</i>fungus isolated from macadamia. The essential oils were obtained by the steam drag technique and the aqueous plant extracts by the turbolysis technique, where the yield was determined by the gravimetric method. <i>N. clavispora</i> fungus was cultivated in PDA culture medium with plant extracts at the 18,000, 36,000 and 54,000 ppm dosages and essential oils at the 30, 80, 130 and 180 ppm dosages. The colonies were evaluated after seven days of incubation considering their diameters and the mycelial growth inhibition percentage of the fungus. <i>C. citriodora</i> essential oil provided 100% inhibition at all tested dosages. Essential oils and plant extracts showed better inhibition efficiency when using higher dosages. <i>C. citriodora</i> essential oil was classified as a fungicide in high dosages and fungistatic in low dosages, in addition to the plant extracts of all studied species. Plant extracts provided less inhibition than essential oils. <i>C. citriodora</i> essential oil showed high inhibition efficiency in all tested doses. The presence of citronellal and citronellol compounds in the <i>C. citriodora</i> essential oil were more associated to the fungicidal effect.</p>","PeriodicalId":170,"journal":{"name":"Flavour and Fragrance Journal","volume":"41 6","pages":"1438-1445"},"PeriodicalIF":2.5,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ffj.70121","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149177310","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Intervention Effects of Cyperus rotundus Essential Oil on PCPA-Induced Insomnia in Mice and Analysis of Human EEG Rhythm Regulation 香附精油对pppa致小鼠失眠的干预作用及人脑电图节律调节分析
IF 2.5 3区 农林科学 Q3 CHEMISTRY, APPLIED Pub Date : 2026-10-15 Epub Date: 2026-06-25 DOI: 10.1002/ffj.70125
JianCai Zhu, Xiaolong Leng, Zhiqing Zhou, Yunwei Niu, Yurong Sun, Qinglei Liu

In this study, we systematically elucidated the sleep-promoting mechanisms of Cyperus rotundus essential oil (CRO) utilising a comprehensive multidimensional approach encompassing network pharmacology, animal models, and human electroencephalography (EEG). Gas chromatography–mass spectrometry (GC–MS) identified key volatile constituents, notably cyperene and thujopsene. Subsequent network pharmacology and molecular docking analyses revealed 76 intersecting targets between CRO and insomnia, pinpointing ESR1, GSK3B, and MMP9 as core therapeutic proteins mediating the sedative effects. These computational predictions were robustly validated in vivo using a *p*-chlorophenylalanine (PCPA)-induced insomnia mouse model. Behavioural assessments demonstrated that CRO inhalation significantly reduced sleep latency, prolonged sleep duration, and ameliorated anxiety-like behaviours. Mechanistically, CRO successfully reversed central hyper-arousal by suppressing hypothalamic–pituitary–adrenal (HPA) axis hyperactivity, restoring neurotransmitter homeostasis (upregulating GABA and 5-HT, downregulating GLU and DA), mitigating oxidative stress, and attenuating neuroinflammation. Furthermore, histological and immunohistochemical evaluations confirmed that CRO protected hippocampal neuronal architecture and significantly upregulated 5-HT1A and GABAA receptor expression, thereby validating the predicted receptor signalling pathways. Translating these findings to human subjects, EEG spectral and topographic analyses demonstrated that CRO olfactory stimulation effectively enhanced low-frequency delta and theta wave energies, successfully inducing a profound state of cortical relaxation. Collectively, these multidimensional in vivo and clinical findings strongly corroborate the in silico predictions, highlighting CRO as a highly promising, multi-target natural therapeutic agent for the management of insomnia.

在这项研究中,我们利用网络药理学、动物模型和人类脑电图(EEG)的综合多维方法系统地阐明了香柏树精油(CRO)促进睡眠的机制。气相色谱-质谱联用(GC-MS)鉴定出主要挥发性成分,主要为赛柏烯和叔茉莉烯。随后的网络药理学和分子对接分析揭示了CRO与失眠之间的76个交叉靶点,确定了ESR1、GSK3B和MMP9是介导镇静作用的核心治疗蛋白。这些计算预测在体内通过*p*-氯苯丙氨酸(PCPA)诱导的失眠小鼠模型得到了强有力的验证。行为评估表明,吸入CRO可显著减少睡眠潜伏期,延长睡眠时间,改善焦虑样行为。在机制上,CRO通过抑制下丘脑-垂体-肾上腺(HPA)轴亢进,恢复神经递质稳态(上调GABA和5-HT,下调GLU和DA),减轻氧化应激和减轻神经炎症,成功逆转中枢高唤醒。此外,组织学和免疫组织化学评估证实,CRO保护海马神经元结构,并显著上调5-HT1A和GABAA受体的表达,从而验证了预测的受体信号通路。将这些发现转化到人类受试者身上,脑电图频谱和地形分析表明,CRO嗅觉刺激有效地增强了低频δ波和θ波能量,成功地诱导了皮层的深度松弛状态。总的来说,这些多维的体内和临床研究结果有力地证实了计算机预测,强调CRO是一种非常有前途的多靶点天然治疗失眠的药物。
{"title":"Intervention Effects of Cyperus rotundus Essential Oil on PCPA-Induced Insomnia in Mice and Analysis of Human EEG Rhythm Regulation","authors":"JianCai Zhu,&nbsp;Xiaolong Leng,&nbsp;Zhiqing Zhou,&nbsp;Yunwei Niu,&nbsp;Yurong Sun,&nbsp;Qinglei Liu","doi":"10.1002/ffj.70125","DOIUrl":"https://doi.org/10.1002/ffj.70125","url":null,"abstract":"<div>\u0000 \u0000 <p>In this study, we systematically elucidated the sleep-promoting mechanisms of <i>Cyperus rotundus</i> essential oil (CRO) utilising a comprehensive multidimensional approach encompassing network pharmacology, animal models, and human electroencephalography (EEG). Gas chromatography–mass spectrometry (GC–MS) identified key volatile constituents, notably cyperene and thujopsene. Subsequent network pharmacology and molecular docking analyses revealed 76 intersecting targets between CRO and insomnia, pinpointing ESR1, GSK3B, and MMP9 as core therapeutic proteins mediating the sedative effects. These computational predictions were robustly validated in vivo using a *<i>p</i>*-chlorophenylalanine (PCPA)-induced insomnia mouse model. Behavioural assessments demonstrated that CRO inhalation significantly reduced sleep latency, prolonged sleep duration, and ameliorated anxiety-like behaviours. Mechanistically, CRO successfully reversed central hyper-arousal by suppressing hypothalamic–pituitary–adrenal (HPA) axis hyperactivity, restoring neurotransmitter homeostasis (upregulating GABA and 5-HT, downregulating GLU and DA), mitigating oxidative stress, and attenuating neuroinflammation. Furthermore, histological and immunohistochemical evaluations confirmed that CRO protected hippocampal neuronal architecture and significantly upregulated 5-HT1A and GABAA receptor expression, thereby validating the predicted receptor signalling pathways. Translating these findings to human subjects, EEG spectral and topographic analyses demonstrated that CRO olfactory stimulation effectively enhanced low-frequency delta and theta wave energies, successfully inducing a profound state of cortical relaxation. Collectively, these multidimensional in vivo and clinical findings strongly corroborate the in silico predictions, highlighting CRO as a highly promising, multi-target natural therapeutic agent for the management of insomnia.</p>\u0000 </div>","PeriodicalId":170,"journal":{"name":"Flavour and Fragrance Journal","volume":"41 6","pages":"1399-1415"},"PeriodicalIF":2.5,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149177587","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}
引用次数: 0
Multidimensional Analysis of Key Aroma Compounds in Jingmai Ancient Arbor Pu'er Tea: Aroma Identification, Sensory Evaluation, and Molecular Docking 京脉古木普洱茶主要香气成分的多维分析:香气鉴定、感官评价与分子对接
IF 2.5 3区 农林科学 Q3 CHEMISTRY, APPLIED Pub Date : 2026-08-10 Epub Date: 2026-05-06 DOI: 10.1002/ffj.70103
Xingran Kou, Guosong Tang, Chi-Tang Ho, Qinfei Ke, Kang-Ying Qian, Ming Fu, Yiqing Su, Xin Huang

Jingmai Mountain, the world's only tea-related World Heritage Site, produces Pu'er tea with distinctive aromas. This study integrates aroma identification, sensory evaluation, and molecular docking to multidimensionally analyse the aroma of Jingmai Pu'er tea. Firstly, 51 aroma compounds were identified from three types of Jingmai Pu'er teas using GC–MS and GC-IMS. Then, 18 key aroma compounds were confirmed based on odour activity values (OAV). Through recombination and omission tests, 9 aromas were found to be essential for Jingmai ancient arbor Pu'er tea—including linalool, β-ionone, and methyl salicylate. Subsequently, these 18 key aroma compounds were docked with 74 high-confidence human olfactory receptors (ORs), and a binding energy matrix was constructed based on the docking results. Based on this matrix analysis, it was found that certain olfactory receptors exhibited stronger predicted affinity for the aromas of Jingmai Pu'er tea, such as OR1A1, OR2AG1, OR10AG1. Overall, this work systematically analysed the aroma characteristics of Jingmai Pu'er tea and explored the potential association between the key aroma compounds of JM-PANT and human olfactory receptors.

景麦山是世界上唯一与茶有关的世界遗产,出产的普洱茶香气独特。本研究将香气鉴定、感官评价和分子对接相结合,对京脉普洱茶香气进行多维度分析。首先,采用气相色谱-质谱联用技术和气相色谱- ims联用技术,从三种京脉普洱茶中鉴定出51种香气化合物;然后,根据气味活性值(OAV)确定了18种关键香气化合物。通过重组和遗漏试验,发现京脉古木普洱茶中含有芳樟醇、β-ionone和水杨酸甲酯等9种香气。随后,将这18个关键香气化合物与74个高置信度的人类嗅觉受体(ORs)对接,并根据对接结果构建结合能矩阵。基于矩阵分析,发现某些嗅觉受体OR1A1、OR2AG1、OR10AG1对精麦普洱茶香气具有较强的预测亲和力。总体而言,本研究系统分析了精麦普洱茶的香气特征,并探索了JM-PANT关键香气化合物与人类嗅觉受体之间的潜在关联。
{"title":"Multidimensional Analysis of Key Aroma Compounds in Jingmai Ancient Arbor Pu'er Tea: Aroma Identification, Sensory Evaluation, and Molecular Docking","authors":"Xingran Kou,&nbsp;Guosong Tang,&nbsp;Chi-Tang Ho,&nbsp;Qinfei Ke,&nbsp;Kang-Ying Qian,&nbsp;Ming Fu,&nbsp;Yiqing Su,&nbsp;Xin Huang","doi":"10.1002/ffj.70103","DOIUrl":"https://doi.org/10.1002/ffj.70103","url":null,"abstract":"<div>\u0000 \u0000 <p>Jingmai Mountain, the world's only tea-related World Heritage Site, produces Pu'er tea with distinctive aromas. This study integrates aroma identification, sensory evaluation, and molecular docking to multidimensionally analyse the aroma of Jingmai Pu'er tea. Firstly, 51 aroma compounds were identified from three types of Jingmai Pu'er teas using GC–MS and GC-IMS. Then, 18 key aroma compounds were confirmed based on odour activity values (OAV). Through recombination and omission tests, 9 aromas were found to be essential for Jingmai ancient arbor Pu'er tea—including linalool, β-ionone, and methyl salicylate. Subsequently, these 18 key aroma compounds were docked with 74 high-confidence human olfactory receptors (ORs), and a binding energy matrix was constructed based on the docking results. Based on this matrix analysis, it was found that certain olfactory receptors exhibited stronger predicted affinity for the aromas of Jingmai Pu'er tea, such as OR1A1, OR2AG1, OR10AG1. Overall, this work systematically analysed the aroma characteristics of Jingmai Pu'er tea and explored the potential association between the key aroma compounds of JM-PANT and human olfactory receptors.</p>\u0000 </div>","PeriodicalId":170,"journal":{"name":"Flavour and Fragrance Journal","volume":"41 5","pages":"1103-1111"},"PeriodicalIF":2.5,"publicationDate":"2026-08-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148699869","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}
引用次数: 0
期刊
Flavour and Fragrance Journal
全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.
﹀
mjeditor
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
Book学术官方微信
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1