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Antioxidant, Antimicrobial and Enzyme Inhibitory Activities of Carvone, Thymol and Camphor: An In Vitro Study Integrated With Molecular Docking, Molecular Dynamics Simulations and ADMET Predictions 香芹酮、百里香酚和樟脑的抗氧化、抗菌和酶抑制活性:结合分子对接、分子动力学模拟和ADMET预测的体外研究
IF 2.5 3区 农林科学 Q3 CHEMISTRY, APPLIED Pub Date : 2026-10-15 Epub Date: 2026-06-17 DOI: 10.1002/ffj.70128
Jihane Touhtouh, Fettouma Chraa, Tarik Aanniz, Mohamed Akhazzane, Riaz Ullah, Amal Alotaibi, Abdelhakim Bouyahya, Gokhan Zengin, Taoufiq Benali, Khalil Hammani

This study aimed to investigate the antioxidant, antidiabetic, anticholinesterase, dermatoprotective effects, and antimicrobial properties of carvone, thymol and camphor. The antioxidant activity of these monoterpenes was performed by six methods: DPPH, FRAP, CUPRAC, MAC, PBD, and ABTS. The antidiabetic potential was assessed through the inhibition of both α-amylase and α-glucosidase; the inhibition of tyrosinase was assessed to study the dermatoprotective properties, while the antimicrobial efficiency was assessed based on both the agar well diffusion and the microtitration methods. Additionally, in silico investigations combining both molecular docking and dynamics (MD) simulations were conducted to explain the main findings. Thymol demonstrates the highest antioxidant capacity in four of the six assays (FRAP, CUPRAC, ABTS and DPPH). Carvone presents a mechanistically distinct antioxidant profile from thymol, excelling in metal chelation (MAC) and total reducing capacity (PBD), which represents the most scientifically noteworthy finding among the six assays. The three compounds significantly inhibited tyrosinase, with carvone displaying the highest effect (32.518 ± 4.419 mg KAE/g). A notable efficacy against BChE was exhibited; however, no compound inhibited the AChE enzyme. Moreover, modest inhibition of α-amylase was recorded while thymol and camphor exhibited a modest effect on α-glucosidase, with comparable values (1.432 ± 0.023 and 1.431 ± 0.025 mM ACAE/g, respectively). In addition, carvone has been shown to be highly effective with a bactericidal effect against P. aeruginosa, L. monocytogenes, E. coli and S. aureus, whereas thymol and camphor did not show any effect on the four bacterial strains, whereas no anticandidal effect was reported. Molecular docking demonstrated that carvone, thymol and camphor occupied the active site of the examined enzymes via different interactions, while MD simulation helped to corroborate the in vitro findings. Furthermore, ADMET prediction indicated that carvone, thymol and camphor had favourable ADMET profiles. In summary, carvone, thymol, and camphor may be promising as tyrosinase and α-glucosidase inhibitors and/or as lead compounds for developing new semisynthetic drugs for treating diabetes and pigmentation disorders.

本研究旨在探讨香芹酮、百里香酚和樟脑的抗氧化、抗糖尿病、抗胆碱酯酶、皮肤保护和抗菌作用。采用DPPH、FRAP、CUPRAC、MAC、PBD、ABTS等6种方法测定单萜的抗氧化活性。通过抑制α-淀粉酶和α-葡萄糖苷酶来评估其降糖潜力;通过对酪氨酸酶的抑制来研究其皮肤保护性能,同时通过琼脂孔扩散法和微量滴定法来评估其抗菌效率。此外,结合分子对接和动力学(MD)模拟进行了计算机研究来解释主要发现。百里香酚在FRAP、CUPRAC、ABTS和DPPH等6项检测中显示出最高的抗氧化能力。香芹酮呈现出与百里香酚不同的机械抗氧化特征,在金属螯合(MAC)和总还原能力(PBD)方面表现出色,这是六项试验中最值得注意的科学发现。3种化合物均能显著抑制酪氨酸酶,其中以香芹酮的抑制作用最强(32.518±4.419 mg KAE/g)。抗BChE效果显著;然而,没有化合物抑制乙酰胆碱酯酶。此外,百里香酚和樟脑对α-葡萄糖苷酶的抑制作用较弱,分别为1.432±0.023 mM ACAE/g和1.431±0.025 mM ACAE/g。此外,香芹酮已被证明对铜绿假单胞菌、单核增生乳杆菌、大肠杆菌和金黄色葡萄球菌具有高效的杀菌作用,而百里香酚和樟脑对这四种细菌菌株没有任何作用,也没有抗药作用的报道。分子对接表明,香芹酮、百里香酚和樟脑通过不同的相互作用占据了所检测酶的活性位点,而MD模拟有助于证实体外研究结果。此外,ADMET预测表明香芹酮、百里香酚和樟脑具有良好的ADMET谱。综上所述,香芹酮、百里香酚和樟脑可能作为酪氨酸酶和α-葡萄糖苷酶抑制剂和/或作为先导化合物开发新的半合成药物治疗糖尿病和色素沉着障碍。
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引用次数: 0
Phytochemical Composition and Bioactivity of Elsholtzia strobilifera (Benth.) Benth Essential Oil With Spectral Characterisation of Pinocarvone Using NMR Techniques 双球果的植物化学成分及生物活性研究用核磁共振技术研究蒎香酮的光谱表征
IF 2.5 3区 农林科学 Q3 CHEMISTRY, APPLIED Pub Date : 2026-10-15 Epub Date: 2026-07-11 DOI: 10.1002/ffj.70136
Priyanka Bhatt, Pooja Bargali, Gunja Sah, G. C. Shah, Ravendra Kumar, Stefania Garzoli, Maneesha Pathak, Archana N. Sah

Species of the genus Elsholtzia (Lamiaceae) have been traditionally used in folk medicine and are known for their diverse biological properties. However, the chemical composition and bioactivity of the essential oil from Elsholtzia strobilifera (Benth.) Benth. remain insufficiently explored. The present study aimed to investigate the chemical composition of the essential oil of E. strobilifera, isolate its major constituent, and evaluate its antioxidant, antimicrobial, nematicidal, and egg-hatching inhibition activities. The essential oil was analysed using GC and GC–MS techniques. The major constituent was isolated by column chromatography and characterised through spectroscopic analyses, including 1H NMR, 13C NMR, DEPT, HMBC, and COSY experiments. Antioxidant activity was assessed using DPPH and hydrogen peroxide scavenging assays, while antimicrobial activity was evaluated against four bacterial and four fungal strains. Nematicidal and egg-hatching inhibition activities were also determined. GC and GC–MS analysis identified 43 compounds representing 95.28% of the total oil composition. The major constituents were pinocarvone (40.0%), β-bisabolene (9.2%), and β-curcumene (6.05%). The essential oil exhibited significant antioxidant activity with IC50 values of 21.52 μL/mL and 25.31 μL/mL in DPPH and hydrogen peroxide scavenging assays, respectively. Antimicrobial studies showed inhibition zones ranging from 20.0 ± 0.5 to 26.0 ± 0.02 mm against bacterial strains and from 24.0 ± 0.00 to 26.0 ± 0.00 mm against fungal strains. The oil also demonstrated 43% nematode mortality at 1 μL/mL after 96 h and 80% egg-hatching inhibition at the same concentration after 24 h. Spectroscopic analysis confirmed the isolated major constituent as pinocarvone. The essential oil of E. strobilifera is rich in bioactive constituents, particularly pinocarvone, and exhibits promising antioxidant, antimicrobial, and nematicidal activities. These findings support its potential as a natural source of biologically active compounds for pharmaceutical and agricultural applications.

Elsholtzia属(Lamiaceae)的物种传统上用于民间医学,并以其多样化的生物学特性而闻名。然而,油橄榄挥发油的化学成分和生物活性却受到了很大的影响。Benth。仍然没有得到充分的探索。本研究旨在研究牛油果挥发油的化学成分,分离其主要成分,并评价其抗氧化、抑菌、杀线虫和抑卵活性。采用气相色谱和气相色谱-质谱技术对精油进行分析。主要成分通过柱层析分离,并通过光谱分析进行表征,包括1H NMR, 13C NMR, DEPT, HMBC和COSY实验。通过DPPH和过氧化氢清除实验评估了抗氧化活性,同时评估了对四种细菌和四种真菌的抗菌活性。同时测定了其杀线虫和抑卵活性。GC和GC - ms分析鉴定出43种化合物,占总油成分的95.28%。主要成分为蒎香酮(40.0%)、β-双abolene(9.2%)和β-姜黄烯(6.05%)。其抗氧化活性显著,对DPPH和过氧化氢的IC50分别为21.52 μL/mL和25.31 μL/mL。抗菌研究表明,对细菌的抑制范围为20.0±0.5 ~ 26.0±0.02 mm,对真菌的抑制范围为24.0±0.00 ~ 26.0±0.00 mm。在1 μL/mL浓度下,96 h后线虫死亡率为43%,24 h后卵孵化率为80%。光谱分析证实分离得到的主要成分为蒎香酮。石斛精油含有丰富的生物活性成分,尤其是蒎香酮,具有良好的抗氧化、抗菌和杀线虫活性。这些发现支持其作为生物活性化合物的天然来源的潜力,用于制药和农业应用。
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引用次数: 0
Multi-Target Mechanisms of Citrus Essential Oils in Cosmetics: Chemical Profiling, Bioactivity Assessment, and Network Pharmacology Insights 柑橘精油在化妆品中的多靶点机制:化学分析、生物活性评估和网络药理学见解
IF 2.5 3区 农林科学 Q3 CHEMISTRY, APPLIED Pub Date : 2026-10-15 Epub Date: 2026-06-12 DOI: 10.1002/ffj.70130
Xingran Kou, Yan Chen, Yongfang Shan, K. E. Qinfei, Feng Chen, Hui Wang, Qingran Meng

Citrus essential oils (EOs) are valued in cosmetics primarily for their appealing aromas; however, a systematic understanding of their chemical composition, bioactivities, and mechanisms of action remains limited. This study characterised the volatile profiles of eight citrus EOs using gas chromatography–mass spectrometry (GC–MS), evaluated their antioxidant, anti-tyrosinase, and anti-hyaluronidase activities, and explored the underlying mechanisms of action. A total of 127 volatile compounds (relative peak area > 0.05%) were identified across the eight EOs, with limonene being the predominant component in most samples. Seven components, including α-pinene, α-phellandrene, sabinene, myrcene, limonene, β-phellandrene, and α-terpineol, were common to all eight EOs. In vitro assessment at 0.4% revealed that all eight citrus EOs exhibited antioxidant and enzyme-inhibitory activities. Notably, grapefruit pink and lemon EOs exhibited the strongest tyrosinase inhibition (77.35% ± 4.01% and 75.32% ± 3.08%, respectively), whereas tangerine and lemon EOs showed the highest hyaluronidase inhibition (32.19% ± 2.08% and 30.07% ± 3.51%, respectively). Using network pharmacology, 71 bioactive components were screened, and their potential interactions with key targets associated with free radical scavenging, skin soothing, and anti-tyrosinase activity were mapped. Key targets (e.g., STAT3 and SRC) and pathways (e.g., PI3K-Akt and MAPK signalling), were identified as potential regulators of these multi-target effects. This study not only clarified the chemical and bioactivity profiles of eight citrus EOs but also provided a mechanistic foundation for their application as multi-functional natural ingredients in cosmetics.

柑橘精油(EOs)在化妆品中的价值主要在于其诱人的香气;然而,对其化学成分、生物活性和作用机制的系统了解仍然有限。本研究利用气相色谱-质谱联用技术(GC-MS)表征了8种柑橘精油的挥发性特征,评估了它们的抗氧化、抗酪氨酸酶和抗透明质酸酶活性,并探讨了其潜在的作用机制。在8个样品中共鉴定出127种挥发性化合物(相对峰面积>; 0.05%),大多数样品中柠檬烯为主要成分。α -蒎烯、α -茶树烯、沙宾烯、月桂烯、柠檬烯、β -茶树烯和α -松油醇是8种EOs共有的7种成分。0.4%的体外评价表明,所有8种柑橘EOs都具有抗氧化和酶抑制活性。其中,柚子粉和柠檬提取物对酪氨酸酶的抑制作用最强(分别为77.35%±4.01%和75.32%±3.08%),对透明质酸酶的抑制作用最强(分别为32.19%±2.08%和30.07%±3.51%)。利用网络药理学,筛选了71种生物活性成分,并绘制了它们与自由基清除、皮肤舒缓和抗酪氨酸酶活性相关的关键靶点的潜在相互作用图。关键靶点(如STAT3和SRC)和通路(如PI3K - Akt和MAPK信号传导)被确定为这些多靶点效应的潜在调节因子。本研究不仅明确了8种柑桔精油的化学和生物活性特征,而且为其作为多功能天然成分在化妆品中的应用提供了机理基础。
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引用次数: 0
HS-SPME-GC-MS Combined With Multivariate Analysis of the Effects of Different Solvents and Processes on the Characteristic Aroma Components of Tobacco Leaves HS-SPME-GC-MS联合多变量分析不同溶剂和工艺对烟叶特征香气成分的影响
IF 2.5 3区 农林科学 Q3 CHEMISTRY, APPLIED Pub Date : 2026-10-15 Epub Date: 2026-07-05 DOI: 10.1002/ffj.70135
Liang He, Tao Zhang, Haocheng Cai, Fengmei Zhang, Ruilin Hu, Bin Guan, Qingna Duan, A. Yinchun, Yushu Gong, Chao Li

The formation of tobacco aroma is significantly influenced by extraction processes, and different process pathways have important regulatory effects on the composition and sensory characteristics of aroma components. In this study, HS-SPME-GC-MS combined with odour activity value analysis, principal component analysis, and sensory evaluation was used to systematically compare the effects of water extraction with alcohol precipitation, alcohol extraction, and water extraction on the aroma components of two American flue-cured tobacco raw materials, 18-BF1M/0 and 18-BF1M/E. The results showed that alcohol extraction significantly improved the coverage of aroma components, with the total number of components increasing by 79%–83% compared with water extraction (p < 0.05). The extraction efficiencies of esters and pyrazines were 3.9–4.7 times and 8–10 times higher than those obtained by water extraction, respectively, indicating that alcohol extraction is more suitable for products requiring high aroma fullness and complexity. Water extraction with alcohol precipitation showed lower impurity levels and retained acidic and hydrophilic aroma characteristics, while water extraction selectively enriched water-soluble components such as acetic acid and furfural. PCA and sensory evaluation indicated that the aroma profiles of the extracts were jointly affected by raw material type and extraction process: 18-BF1M/0 was associated with floral and aldehyde/ketone-related notes, whereas 18-BF1M/E showed stronger ester, roasted, and nutty characteristics. A process–aroma relationship was established for key aroma components, indicating that alcohol extraction is suitable for complex floral or full-bodied aroma profiles, while water extraction with alcohol precipitation and water extraction are more appropriate for light-aroma products with sweet floral, roasted sweet, nutty, or acidic characteristics. These findings provide a quantitative basis for selecting extraction processes and improving the targeted regulation of tobacco extract aroma quality through characteristic marker identification and sensory correlation analysis.

烟草香气的形成受提取工艺的显著影响,不同的提取途径对香气成分的组成和感官特性具有重要的调控作用。本研究采用HS-SPME-GC-MS结合气味活性值分析、主成分分析、感官评价等方法,系统比较了水提法与醇沉法、醇提法、水提法对18-BF1M/0和18-BF1M/E两种美国烤烟原料香气成分的影响。结果表明,醇提显著提高了香气成分的覆盖率,香气成分总数比水提提高了79% ~ 83% (p < 0.05)。酯类和吡嗪类的提取率分别是水提法的3.9 ~ 4.7倍和8 ~ 10倍,说明醇提法更适合香气丰满度和复杂度要求高的产品。醇沉水提法杂质含量较低,保留了酸性和亲水的香气特征,而水提法选择性地富集了乙酸和糠醛等水溶性成分。主成分分析和感官评价结果表明,原料类型和提取工艺对提取物的香气特征有共同影响:18-BF1M/0具有花香和醛/酮类香气,而18-BF1M/E具有较强的酯味、烘烤味和坚果味。对关键香气成分建立了工艺-香气关系,表明醇提法适用于复杂花香或浓郁香气,而醇沉水提法和水提法更适用于具有花香、烤甜、坚果或酸性特征的轻香气产品。这些研究结果为通过特征标记识别和感官相关分析,选择提取工艺,提高烟草提取物香气品质的针对性调控提供了定量依据。
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引用次数: 0
A Greener Approach to Food Packaging Solutions With the Employment of Essential Oils in Biopolymeric Matrices for Edifying the Environment 一个更环保的方法,以食品包装解决方案,在生物聚合物基质中使用精油,以改善环境
IF 2.5 3区 农林科学 Q3 CHEMISTRY, APPLIED Pub Date : 2026-10-15 Epub Date: 2026-04-29 DOI: 10.1002/ffj.70110
Shefali Arora, Pankaj Bhandari, Sukanya Chhetri, Akash Dhiman

Single-use food packaging materials contribute to major solid waste pollution in the environment and become a major concern for researchers. To deal with this problem, the conventional fossil-fuel-based polymers are now being replaced with renewable carbon resources to suggest green materials for the food packaging industry. In this regard, a biopolymer is a natural polymer synthesised from microbes or plants and has the quality of being renewable, sustainable and widely available. Biopolymer structural characteristics are fitted for tailoring their properties to meet the conditions for food packaging. Essential oils (EO) are purely natural, sustainable and harmless alternatives to synthetic antioxidant and antimicrobial agents for adoption in biopolymer-inferred food packaging materials. The inclusion of EOs within the polymeric matrix works on their physicochemical properties. EOs in food packaging materials not only control their shelf life but also the barriers, tensile and optical characteristics of the biopolymer. So, the integration of essential oils with biopolymer matrices is a recent approach in the food packaging industry that opens the door towards a greener environment.

一次性食品包装材料是环境中主要的固体废物污染,成为研究人员关注的主要问题。为了解决这个问题,传统的以化石燃料为基础的聚合物现在正被可再生碳资源所取代,为食品包装行业提供绿色材料。在这方面,生物聚合物是由微生物或植物合成的天然聚合物,具有可再生、可持续和广泛使用的品质。生物聚合物的结构特性适合于定制其性能,以满足食品包装的条件。精油(EO)是纯天然、可持续和无害的合成抗氧化剂和抗菌剂替代品,适用于生物聚合物推断的食品包装材料。在聚合物基体中加入EOs对其物理化学性质起作用。食品包装材料中的EOs不仅控制着食品的保质期,还控制着生物聚合物的阻隔性、拉伸性和光学特性。因此,将精油与生物聚合物基质相结合是食品包装行业最近的一种方法,为绿色环境打开了大门。
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引用次数: 0
Characterization of Characteristic Volatile Organic Compounds and Key Aroma Compounds in Peels of Variegated Calamondin at Different Maturity Stages Based on HS-SPME-GC-MS and Multivariate Statistical Analysis 基于HS-SPME-GC-MS和多元统计分析的不同成熟期杂色菖蒲果皮中挥发性有机物和关键香气物质的特征分析
IF 2.5 3区 农林科学 Q3 CHEMISTRY, APPLIED Pub Date : 2026-10-15 Epub Date: 2026-07-24 DOI: 10.1002/ffj.70131
Hanqing Hu, Xiongjie Lin, Weiyu Chen, Yanfang Zhang, Shouxing Wen, Ziyang Wu, Haiming Li, Jiahui Xu

Variegated calamondin, a rare variant of four-season orange, possesses a unique woody aroma and abundant sesquiterpenes in its peels, demonstrating tremendous value in the development of premium spices and functional products. This study employed headspace solid-phase microextraction coupled with gas chromatography-mass spectrometry (HS-SPME-GC-MS) and electronic nose (E-nose), combined with linear discriminant analysis (LDA), orthogonal partial least squares discriminant analysis (OPLS-DA), and odour activity value (OAV) to systematically characterise the volatile organic compounds (VOCs) and key aroma compounds in variegated calamondin peels across three maturity stages. A total of 228 VOCs were identified, primarily consisting of heterocycles, terpenes, hydrocarbons, and alcohols. Notably, tetradecane concentration significantly increased from 3.42 ± 0.51 μg/g (green-stem stage) to 8.76 ± 1.23 μg/g (mature stage) (p < 0.01), while 2,6-octadien-1-ol, 3,7-dimethyl-, (Z)- decreased from 15.83 ± 2.14 μg/g to 4.27 ± 0.89 μg/g (p < 0.01). The LDA model achieved 100% classification accuracy across all maturity stages (sensitivity = 100%, specificity = 100%), and was further validated with an independent test set (accuracy = 97.2%). OPLS-DA identified 112 characteristic VOCs through pairwise comparisons. Twenty-nine key aroma compounds (OAV > 1) were identified: 1-octen-3-one dominated the grassy odour in early development (OAV = 3191.30); (E,E)-2,4-decadienal (OAV = 821.09) and decanal (OAV = 298.94) characterised the colour-change stage; butanoic acid, 3-methyl-, 2-phenylethyl ester (OAV = 1674.89), decanal, β-myrcene, and α-pinene collectively contributed to the intense fruity, floral, and woody aroma at full maturity. This study elucidated the flavour evolution mechanisms during peel maturation and provided a theoretical foundation for standardised harvesting and high-value utilisation of variegated calamondin.

紫菖蒲是一种稀有的四季橙品种,具有独特的木质香气和丰富的倍半萜,在高档香料和功能性产品的开发中具有巨大的价值。本研究采用顶空固相微萃取-气相色谱-质谱联用(HS-SPME-GC-MS)和电子鼻(E-nose)技术,结合线性判别分析(LDA)、正交偏最小二乘判别分析(OPLS-DA)和气味活性值(OAV),系统表征了不同成熟期的斑菖蒲皮中挥发性有机化合物(VOCs)和主要香气化合物。共鉴定出228种挥发性有机化合物,主要由杂环、萜烯、碳氢化合物和醇类组成。其中十四烷浓度从青茎期的3.42±0.51 μg显著升高到成熟期的8.76±1.23 μg (p < 0.01), 2,6-八烯-1-醇3,7-二甲基- (Z)-浓度从15.83±2.14 μg降低到4.27±0.89 μg (p < 0.01)。LDA模型在所有成熟度阶段的分类准确率均达到100%(灵敏度= 100%,特异性= 100%),并通过独立测试集进一步验证(准确率= 97.2%)。OPLS-DA通过两两比较鉴定出112种特征VOCs。共鉴定出29种关键香气化合物(OAV > 1): 1-辛烯-3- 1在发育早期占主导地位(OAV = 3191.30);(E,E)-2,4-十烷醛(OAV = 821.09)和十烷醛(OAV = 298.94)表征变色期;丁酸、3-甲基- 2-苯乙基酯(OAV = 1674.89)、癸醛、β-月桂烯和α-蒎烯共同促成了成熟时浓郁的水果、花香和木本香气。本研究阐明了斑蝥素果皮成熟过程中风味的演变机制,为斑蝥素的标准化采收和高价值利用提供了理论依据。
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引用次数: 0
Chemical and Bioactivities Characterisation of the Hydrosol and the Essential Oil of Carlina vulgaris L. 香缕草精油及纯露的化学及生物活性研究。
IF 2.5 3区 农林科学 Q3 CHEMISTRY, APPLIED Pub Date : 2026-10-15 Epub Date: 2026-06-11 DOI: 10.1002/ffj.70118
Amina Tabet Zatla, Mamoun Fellah, Amina Hammoudi, Joëlle Pérard, Lotfi khezami

This study aimed to compare the antioxidant, anti-inflammatory, and antimicrobial properties of the hydrosol extract and essential oil of the roots of Carlina vulgaris L., with a view to identifying new bioactive compounds. The chemical composition was analysed using gas chromatography (GC) and gas chromatography–mass spectrometry (GC–MS). Antioxidant activity was assessed using the DPPH, FRAP, and β-carotene bleaching assays, anti-inflammatory effects through protein denaturation inhibition, and antimicrobial activity was evaluated against selected bacterial and fungal strains. The essential oil contained mainly hexadecanoic acid (27%), carlina oxide (23.6%), and neophytadiene (24.1%), whereas the hydrosol was rich in acetylenic compounds (92.5%), including carlina oxide (79.3%). The hydrosol showed strong antioxidant activity (IC50 = 8.9 mg/L), strong anti-inflammatory activity (94.6% inhibition), and inhibition zones ranging from 15.8 to 38.1 mm. These results suggest that C. vulgaris hydrosol may be a promising natural agent for pharmaceutical applications.

本研究旨在比较Carlina vulgaris L.根的纯露提取物和精油的抗氧化、抗炎和抗菌性能,以期发现新的生物活性化合物。采用气相色谱(GC)和气相色谱-质谱(GC - ms)分析其化学成分。通过DPPH、FRAP和β-胡萝卜素漂白试验来评估抗氧化活性,通过抑制蛋白质变性来评估抗炎作用,并评估对选定细菌和真菌菌株的抗菌活性。精油主要含有十六烷酸(27%)、氧化carlina(23.6%)和新茶树烯(24.1%),而纯露含有丰富的乙基化合物(92.5%),其中氧化carlina(79.3%)。结果表明,该纯露具有较强的抗氧化活性(IC50 = 8.9 mg/L),较强的抗炎活性(抑制率为94.6%),抑制区范围为15.8 ~ 38.1 mm。这些结果表明,寻常草纯醇可能是一种很有前景的天然药剂。
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引用次数: 0
Bacillus-Derived Polyhydroxybutyrate From Nutrient-Rich Soils: Production, Structural Features, and Immunological Potential 富营养土壤中芽孢杆菌衍生的聚羟基丁酸盐:生产、结构特征和免疫潜力
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.70138
Safiye Elif Korcan, Nevin Çankaya, Serap Yalçın Azarkan, Şah İsmail Çivi, Gülderen Uysal Akkuş

Polyhydroxybutyrate (PHB) is a biopolymer of growing interest due to its biodegradability and potential applications in biomedical and environmental fields. In this study, spore-forming Bacillus species were isolated from nitrogen- and phosphorus-rich agricultural soils in Uşak, Turkey, and evaluated for their PHB production capacity, structural characteristics, and potential immune interactions. Eight isolates were confirmed as Gram-positive, spore-forming bacilli capable of utilizing sucrose and glucose as carbon sources. PHB accumulation reached up to 87.15 μg/mL in isolate Y1, indicating that these bacteria can synthesize PHB even under nutrient-rich conditions, likely as a metabolic adaptation to excess carbon and redox imbalance. Fourier-transform infrared (FTIR) spectroscopy revealed characteristic ester and aliphatic bands consistent with PHB and other polyhydroxyalkanoates, with variations among isolates suggesting differences in polymer crystallinity and purity. In silico analyses predicted low binding affinities to COX-2, TLR4, and IL-6R, while molecular dynamics simulations indicated stabilization of protein structures upon PHB interaction. Toxicity predictions highlighted potential nephrotoxicity and blood–brain barrier penetration, but overall immunotoxicity, mutagenicity, and carcinogenicity were negligible. Collectively, these findings demonstrate that Bacillus isolates from nutrient-rich soils are efficient PHB producers with structurally distinct polymers and a promising biocompatibility profile. These results underscore the potential of these strains for sustainable bioplastic production and advanced biomaterial applications, warranting further in vitro and in vivo validation.

聚羟基丁酸酯(PHB)由于其生物可降解性和在生物医学和环境领域的潜在应用而日益受到人们的关注。在这项研究中,从土耳其u ak富氮和富磷的农业土壤中分离出孢子形成芽孢杆菌,并评估了它们的PHB生产能力、结构特征和潜在的免疫相互作用。8株菌株被证实为革兰氏阳性,能够利用蔗糖和葡萄糖作为碳源的孢子形成杆菌。分离物Y1的PHB积累量高达87.15 μg/mL,表明这些细菌即使在营养丰富的条件下也能合成PHB,可能是对过量碳和氧化还原失衡的代谢适应。傅里叶变换红外光谱(FTIR)显示了与PHB和其他聚羟基烷烃酸酯一致的特征酯和脂肪族带,不同分离物的差异表明聚合物结晶度和纯度存在差异。硅分析预测与COX-2、TLR4和IL-6R的结合亲和力较低,而分子动力学模拟表明在PHB相互作用下蛋白质结构稳定。毒性预测强调潜在的肾毒性和血脑屏障穿透,但总体免疫毒性、诱变性和致癌性可忽略不计。总的来说,这些发现表明,从营养丰富的土壤中分离出来的芽孢杆菌是有效的PHB生产者,具有结构独特的聚合物和有前景的生物相容性。这些结果强调了这些菌株在可持续生物塑料生产和先进生物材料应用方面的潜力,需要进一步的体外和体内验证。
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引用次数: 0
Temporal and Spatial Pattern Analysis of Brain Electrical Responses Induced by Four Representative Essential Oil Active Components 四种代表性精油活性成分诱发脑电反应的时空格局分析
IF 2.5 3区 农林科学 Q3 CHEMISTRY, APPLIED Pub Date : 2026-10-15 Epub Date: 2026-07-01 DOI: 10.1002/ffj.70133
Jing wang, Chao-feng Yang, Yi-xuan He, Jian-yong Tong, Yu-jie He, Yong-quan Lu

This study employed 32-channel electroencephalography (EEG) to systematically investigate the spatiotemporal patterns of brain electrical responses in healthy participants naturally exposed to four essential oil components: myrcene, limonene, bornyl acetate, β-caryophyllene. Results showed that all four compounds induced a sedative-anxiolytic electrophysiological profile characterized by dominant α waves and elevated α/β ratios, yet each exhibited distinct spatiotemporal features: limonene triggered rapid prefrontal activation, myrcene elicited mild and sustained whole-brain responses, bornyl acetate produced late-stage widespread high activation and β-caryophyllene showed strong responses in the parieto-occipital regions. The findings provide objective physiological evidence for the anxiolytic effects of essential oil components and support personalized intervention strategies based on individual EEG activity.

本研究采用32通道脑电图(EEG)系统地研究了自然暴露于四种精油成分(月桂烯、柠檬烯、醋酸龙脑酯、β-石竹烯)的健康受试者的脑电反应的时空模式。结果表明,这4种化合物均能诱导以α波为主、α/β比值升高为特征的镇静-焦虑电生理特征,但每种化合物都表现出不同的时空特征:柠檬烯触发快速的前额叶激活,月桂烯引发轻度和持续的全脑反应,醋酸龙脑酯产生后期广泛的高激活,β-石竹烯在顶枕区表现出强烈的反应。该研究结果为精油成分的抗焦虑作用提供了客观的生理证据,并支持基于个体脑电图活动的个性化干预策略。
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引用次数: 0
An Overview of Rosa x damascena: Cultivation, Production Methods, Applications, Challenges and Prospectives 大马士革玫瑰综述:栽培、生产方法、应用、挑战与展望
IF 2.5 3区 农林科学 Q3 CHEMISTRY, APPLIED Pub Date : 2026-10-15 Epub Date: 2026-03-27 DOI: 10.1002/ffj.70090
Sofiya Karunanithi, Ashish Kapoor, P. Senthil Kumar, Dan Bahadur Pal, Jaganathan Murugesan Kuppuswamy, Kalaimathy Kamaraj, Gayathri Rangasamy

The aromatic flowers of Rosa x damascena, priced for their captivating fragrance, are a crucial resource in essential oil production, finding versatile use in both fragrances and food products. This review explores the extensive research on Rosa x damascena, emphasising its distinct fragrance and varied applications. Covering cultivation practices, product uses, oil extraction methods, chemical components, and challenges faced, this study aims for a holistic understanding of this aromatic shrub. The discussion extends to products, emphasising its role in the essential oil industry and its incorporation into diverse food items. Oil production methods are analysed, showcasing traditional and modern extraction techniques. Chemical components contributing to the unique fragrance and therapeutic properties are explored. The review also examines applications in perfumery, cosmetics and medicinal products, addressing challenges in cultivation and production. This comprehensive overview aims to serve scholars, researchers and industry professionals, synthesising information on Rosa x damascena cultivation, applications, production, components, challenges and future prospects on the global stage of essential oil production.

玫瑰x大马士革芳香的花朵,以其迷人的香味定价,是精油生产的重要资源,在香水和食品中都有广泛的用途。本文综述了对大马士革玫瑰的广泛研究,强调了其独特的香味和多种应用。本研究涵盖栽培方法、产品用途、提取方法、化学成分和面临的挑战,旨在全面了解这种芳香灌木。讨论延伸到产品,强调其在精油行业中的作用,并将其纳入各种食品中。分析了采油方法,展示了传统和现代的采油技术。化学成分有助于独特的香味和治疗性能的探索。该审查还审查了在香水、化妆品和医药产品中的应用,解决了种植和生产中的挑战。这份全面的概述旨在为学者、研究人员和行业专业人士提供综合信息,包括玫瑰和大马士革的种植、应用、生产、成分、挑战和全球精油生产的未来前景。
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引用次数: 0
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