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Chemical Composition and Bioherbicidal Properties of Teucrium oliverianum Ging. Ex Benth Essential Oil: Insights From Chemometric Analysis, Molecular Docking Studies, and ADME-Tox Predictions 橄榄酸铀的化学成分及生物除草性能。Ex Benth精油:来自化学计量分析,分子对接研究和ADME-Tox预测的见解
IF 2 3区 农林科学 Q3 CHEMISTRY, APPLIED Pub Date : 2025-08-21 DOI: 10.1002/ffj.70002
Ahmed M. Abd-ElGawad, Asmaa S. Abd Elkarim, Ninh The Son, Hai Pham-The, Abd El-Nasser G. El Gendy, Hiroshi Imagawa, Abdelsamed I. Elshamy

Natural products present innovative strategies for the safe sustainable bioherbicides. Teucrium oliverianum was traditionally employed in the treatment of various ailments, within a context of rich chemical and biological diversity. The chemical composition and bioherbicidal impacts of T. oliverianum essential oil (EO) on Dactyloctenium aegyptium, Cenchrus echinatus and Triticum aestivum (wheat) were presented here for the first time. Furthermore, the action mechanisms were investigated using molecular docking and ADME-Tox tools. Fifty-five components (totaling 98.48%) were identified by GC–MS, mainly consisting of mono- (43.52%), sesquit- (40.44%), and diterpenes (4.58%). The oil's primary components were found to be trans-chrysanthenyl acetate (9.97%), camphor (7.95%), linalool (5.45%) and phytol (4.58%). Some variation and further associations between the 29 Teucrium taxa, including T. oliverianum, were found by the chemometric analyses. The oil exhibited substantial phytotoxic effects on D. aegyptium and C. echinatus, in a dose-dependent manner, with IC50 values of 10.7 and 9.1 mg/L, 13.7 and 12.0 mg/L, and 5.2 and 5.5 mg/L, respectively, in comparison to wheat of 24.3, 24.3 and 28.8 mg/L for seed germination, shoot growth and root growth. The docking examination demonstrated that phytol, linalool, piperitenone and trans-β-ionone bind to 4-hydroxyphenylpyruvate dioxygenase (HPPD) and Auxin binding protein 1 (ABP) active sites with binding values from −6.83 to −8.46 kcal/mol. The ADME-Tox predictions results indicated that linalool and phytol comply with the Lipinski rule of five with respective protein binding percentages of 56.3% and 80.8%, and distribution volumes from 0.686 to 1.163. These findings suggested that these compounds exhibit an appropriate distribution profile.

天然产物为安全可持续的生物除草剂提供了创新的策略。传统上,在丰富的化学和生物多样性的背景下,橄榄铀被用于治疗各种疾病。本文首次研究了橄榄挥发油的化学成分及其对埃及青霉(Dactyloctenium aegyptium)、青霉(Cenchrus echinatus)和小麦(Triticum aestivum)的生物除草效果。此外,利用分子对接和ADME-Tox工具研究了其作用机制。GC-MS共鉴定出55种成分,共98.48%,主要成分为单萜(43.52%)、双萜(40.44%)和二萜(4.58%)。主要成分为乙酸反式菊酯(9.97%)、樟脑(7.95%)、芳樟醇(5.45%)和叶绿醇(4.58%)。通过化学计量学分析,发现了包括T. oliverianum在内的29个teucium类群之间的一些变异和进一步的关联。与小麦的24.3、24.3、28.8 mg/L的IC50值相比,黄芪油对埃及金丝桃和棘叶金丝桃的IC50值分别为10.7和9.1 mg/L、13.7和12.0 mg/L和5.2和5.5 mg/L,且呈剂量依赖性。对接检测表明,叶绿醇、芳樟醇、胡椒烯酮和反式β-离子酮与4-羟基苯基丙酮酸双加氧酶(HPPD)和生长素结合蛋白1 (ABP)活性位点结合,结合值为−6.83 ~−8.46 kcal/mol。ADME-Tox预测结果表明,芳樟醇和叶绿醇符合Lipinski 5法则,蛋白结合率分别为56.3%和80.8%,分布体积为0.686 ~ 1.163。这些发现表明这些化合物具有适当的分布特征。
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引用次数: 0
Exploring Lyophilised Suillus granulatus Extracts as Natural Additives for Industrially Produced Functional Dehydrated Soups 探索冻干水蛭提取物作为工业生产功能性脱水汤的天然添加剂
IF 2 3区 农林科学 Q3 CHEMISTRY, APPLIED Pub Date : 2025-07-12 DOI: 10.1002/ffj.70001
Monika Stojanova, Milena Pantic, Anita Klaus, Dunja Miletic, Dragana Mihajlovic, Marina Todor Stojanova, Blazo Boev, Miomir Niksic

This study focused on creating lyophilised extracts from Suillus granulatus to assess its antimicrobial properties and explore its potential as a natural substitute for monosodium glutamate in dehydrated soups. The water extract demonstrated stronger antimicrobial activity against L. ivanovii than chloramphenicol. The MBC and MFC values for the water extract were significantly lower (p < 0.05) against L. ivanovii (5.0 mg mL−1), E. faecalis (10 mg mL−1), S. enteritidis (20.0 mg mL−1) and C. neoformans (2.5 mg mL−1) compared to the ethanol extract. Both extracts were more effective against Gram-negative bacteria. Scanning electron microscopy revealed a rough structure in the water extract and a granular structure in the ethanol extract. FT-IR analysis of the mushroom extracts reveals that the carbohydrate subregion is primarily influenced by glucan vibrations, as glucans represent the dominant polysaccharides in mushrooms. The characteristic absorption bands at 1160 cm−1 (appearing as a shoulder), 1078, 1048 and 908 cm−1 correspond to β-D-glucan, while the bands observed at 1148, 1027 and 937 cm−1 indicate the presence of α-D-glucan. The lyophilised water extract exhibited better activity against E. faecalis than the ethanol extract. These findings support the creation of healthier, safer products, encouraging long-term health benefits through daily consumption. This study points to a promising future for the development of functional, high-quality and safe food products by replacing synthetic additives, such as MSG, with natural, antimicrobial-rich mushroom extracts. Ultimately, Suillus granulatus could play a pivotal role in advancing the industrial production of functional foods. Further studies, including in vivo testing, will be conducted.

本研究的重点是制作肉芽草的冻干提取物,以评估其抗菌特性,并探索其作为脱水汤中味精的天然替代品的潜力。水提物对伊万诺维奇菌的抑菌活性强于氯霉素。与乙醇提取物相比,水提取物对伊万诺氏乳杆菌(5.0 mg mL−1)、粪肠杆菌(10 mg mL−1)、肠炎沙门氏菌(20.0 mg mL−1)和新生梭菌(2.5 mg mL−1)的MBC和MFC值显著降低(p < 0.05)。两种提取物对革兰氏阴性菌都更有效。扫描电镜显示,水提取物呈粗糙结构,乙醇提取物呈颗粒状结构。对蘑菇提取物的FT-IR分析表明,碳水化合物亚区主要受葡聚糖振动的影响,因为葡聚糖代表了蘑菇中的主要多糖。1160 cm−1、1078、1048和908 cm−1处的特征吸收带为β- d -葡聚糖,1148、1027和937 cm−1处的特征吸收带为α- d -葡聚糖。冻干水提取物对粪肠杆菌的抑制作用优于乙醇提取物。这些发现支持创造更健康、更安全的产品,鼓励通过日常消费获得长期健康益处。该研究指出,用天然的、富含抗菌剂的蘑菇提取物取代味精等合成添加剂,开发功能性、高质量和安全的食品是一个有希望的未来。最终,肉芽孢菌将在促进功能性食品的工业化生产中发挥关键作用。将进行进一步的研究,包括体内试验。
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引用次数: 0
Application of Nasal Septum Traction Combined With Continuous Suture in Septoplasty: Enhancing Surgical Efficacy and Olfactory Function 鼻中隔牵引联合连续缝合在鼻中隔成形术中的应用:提高手术疗效和嗅觉功能
IF 2 3区 农林科学 Q3 CHEMISTRY, APPLIED Pub Date : 2025-06-13 DOI: 10.1002/ffj.70000
Shenghua Song, Xueyu Wang, Yanshu Zhang, Binhua Ju, Jie Hou, Panpan Song, Yin Chen, Yuxuan Xing, Chenjie Yu, Handong Wang, Xinyan Cui

Objective: In septoplasty, the combination of nasal septum traction and continuous nasal septum suture techniques is employed to correct the rebound area of the nasal septum after surgery, ensuring optimal surgical outcomes. Methods: In three-line decompression septoplasty, continuous suturing is used to close the septal wound. For high-level or nasal valve region deviation rebound, nasal septum traction is applied to restore the deviated septum to a neutral position. Sutures are removed 2 weeks post-surgery. Post-operative outcomes were assessed using endoscopic examination, the visual analogue scale (VAS) for nasal congestion and pain, T&T olfactory test, nasal resistance and acoustic reflex tests. Complications were also monitored. Results: At the 1-month follow-up, significant improvement in nasal congestion symptoms was observed. Endoscopy showed that the nasal septum was centred, and the nasal congestion VAS score was significantly lower compared to preoperative levels (p < 0.05). No significant nasal pain was reported during the perioperative period. Olfactory function remained unaffected during the perioperative period. One month post-surgery, nasal resistance values returned to the normal reference range. The 0–5 cm NCV values of the bilateral nasal cavities were similar and within the normal reference range. No complications were observed. Conclusion: Nasal septum traction combined with continuous nasal septum suture techniques can correct post-operative nasal septum rebound, reduce perioperative pain, protect olfactory function during the perioperative period and ensure the efficacy of the surgery.

目的:在鼻中隔成形术中,采用鼻中隔牵引联合鼻中隔连续缝合技术,矫正术后鼻中隔反弹区,确保最佳手术效果。方法:在三线减压鼻中隔成形术中,采用连续缝合缝合鼻中隔伤口。对于高位或鼻阀区偏曲反弹,应用鼻中隔牵引将偏曲鼻中隔恢复到中立位置。术后2周拆除缝合线。采用内镜检查、鼻塞和鼻痛视觉模拟评分(VAS)、T&;T嗅觉测试、鼻阻力和声反射测试评估术后结果。同时监测并发症。结果:随访1个月,鼻塞症状明显改善。内镜检查显示鼻中隔居中,鼻塞VAS评分较术前明显降低(p < 0.05)。围手术期无明显鼻部疼痛。嗅觉功能在围手术期未受影响。术后1个月鼻阻力值恢复到正常参考范围。双侧鼻腔0 ~ 5 cm NCV值相近,均在正常参考范围内。无并发症发生。结论:鼻中隔牵引联合鼻中隔连续缝合技术能纠正术后鼻中隔反弹,减少围手术期疼痛,保护围手术期嗅觉功能,保证手术效果。
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引用次数: 0
Characterisation of Key Aroma Compounds in Hot‐Air‐Dried Shrimp (Penaeus vannamei) by Application of the Sensomics Approach 热风干对虾(凡纳滨对虾)关键香气化合物的传感学表征
3区 农林科学 Q3 CHEMISTRY, APPLIED Pub Date : 2025-05-27 DOI: 10.1002/ffj.3856
Di Zhang, Shenghui Cui, Feiran Yang, Hongwu Ji, Shucheng Liu, Wenkui Song
ABSTRACT Cooked shrimp is well known to produce a characteristic aroma, and the drying aroma is particularly fragrant and aromatic. In the study, the key aroma compounds in hot‐air‐dried shrimps were characterised using a sensomics approach. In total, 26 predominant aroma compounds were identified by combined gas chromatography‐mass spectrometry and gas chromatography‐olfactometry, and 18 of them were quantitated by aid of authentic chemicals and with correction of recovery coefficients. Aroma recombination experiments and sensory evaluation demonstrated that 11 aroma compounds significantly contributed to the characteristic aroma of hot‐air‐dried shrimps. Omission experiments further corroborated that pyrazines, amines, aldehydes and heterocyclic compounds had important effects on the aroma characteristics of hot‐air‐dried shrimp. Amongst them, 3‐ethyl‐2,5‐dimethylpyrazine, 2,5‐dimethylpyrazine, 3‐(methylthio)propionaldehyde and trimethylamine significantly contributed to roasted/nutty, cooked‐meat‐like and fishy odours of the aroma profile.
熟虾以其特有的香气而著称,干燥后的香气尤其浓郁、芳香。在这项研究中,热风干虾的主要香气化合物使用感官方法进行了表征。通过气相色谱-质谱联用和气相色谱-嗅觉联用,共鉴定出26种主要香气化合物,其中18种是通过真实化学成分和回收率系数校正得到的。香气重组实验和感官评价表明,11种香气化合物对热风干虾的特征香气有显著贡献。遗漏实验进一步证实,吡嗪类、胺类、醛类和杂环类化合物对热风干虾的香气特性有重要影响。其中,3 -乙基- 2,5 -二甲基吡嗪、2,5 -二甲基吡嗪、3 -(甲基硫)丙醛和三甲胺显著影响了香气特征中的烤/坚果味、熟肉味和鱼腥味。
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引用次数: 0
Studies on Key Aroma‐Active Compounds in Three Traditional Douchi by Sensory‐Directed Flavour Analysis 三种传统豆豉中关键香气活性物质的感官风味分析研究
3区 农林科学 Q3 CHEMISTRY, APPLIED Pub Date : 2025-05-19 DOI: 10.1002/ffj.3873
Zhuoxuan Han, Shuqi Wang, Haitao Chen, Jie Sun, Ning Zhang, Huiying Zhang
ABSTRACT As a traditional fermented soybean product in China, douchi is rich in diversity and varies from place to place. Because of the significance in food culture, the douchi from Sichuan, Hunan, and Guizhou are quite typical and distinctive. By analysing the volatile components of these three types of douchi, we can not only deconstruct the cause of aroma formation, but also lay the foundation for flavour adjustment. In this study, the key aroma‐active compounds of the three types of douchi were identified by gas chromatography–olfactometry (GC–O) and gas chromatography–mass spectrometry (GC–MS) combined with sensory evaluation. 32 aroma compounds were identified in Tongchuan douchi (TC), and 16 of them with flavour dilution (FD) > 4 were determined. 14 substances were quantified, and 4 of them with OAV > 1. 30 aroma compounds were identified in TongRen douchi (TR), and 15 of them with flavour FD ≥ 4 were determined. 13 substances were quantified, and 11 of them with OAV > 1. 21 aroma compounds were identified in LiuYang douchi (LY), and 11 of them with FD ≥ 4 were determined, and all of them were quantified. 5 substances with OAV > 1 were determined. The sensory evaluation determined that the three types of douchi possessed sauce‐like, sour, burnt, bean aroma, roasted, salty, fermented aroma, and rancid aroma.
豆豉是中国一种传统的豆制品,品种丰富,各地差异较大。由于豆豉在饮食文化中的重要性,四川、湖南和贵州的豆豉很有代表性和特色。通过分析这三种豆豉的挥发性成分,不仅可以解构其香气形成的原因,还可以为风味调整奠定基础。本研究采用气相色谱-嗅觉法(GC-O)和气相色谱-质谱法(GC-MS)结合感官评价对三种豆豉的主要香气活性物质进行鉴定。从铜川豆豉(TC)中鉴定出32种香气化合物,其中16种经风味稀释(FD)测定。对14种物质进行了定量,其中4种为OAV;从铜仁豆豉中鉴定出30种香气化合物,其中15种香气化合物FD≥4。对13种物质进行定量,其中11种为OAV >; 1。从浏阳豆豉中鉴定出21种香气化合物,其中鉴定出FD≥4的有11种,并对其进行了定量分析。测定了5种OAV >; 1的物质。感官评价结果表明,三种类型的豆豉具有酱状、酸味、烧焦味、豆香、烤味、咸味、发酵味和腐臭味。
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引用次数: 0
Synthesis of Terpenic Esters Using Natural Kaolinite Clay: Thermodynamic, Kinetic and Bioinformatics Studies 利用天然高岭土合成萜烯酯:热力学、动力学和生物信息学研究
IF 2.1 3区 农林科学 Q3 CHEMISTRY, APPLIED Pub Date : 2025-04-21 DOI: 10.1002/ffj.3868
Seif Eddine Larba, Mourad Boukachabia, Saoussen Zeror, Hacene Bendjeffal, Tayeb Bouaroudj

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 l-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 2a and weakly active compound 10a 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.

本研究旨在合成新型萜烯酯,以评估其抑制埃博拉病毒的能力。利用本地高岭土作为生态相容催化剂,设计并合成了高价值萜烯酯,收率从中等到优异不等。计算了l-薄荷醇在不同温度下酰化反应的动力学和热力学研究,揭示了活化能、标准吉布斯能、标准熵和标准焓之间的关系。对一系列萜烯酯进行了密度泛函理论(DFT)计算,并利用前沿分子轨道(FMO)和分子静电势(MEP)分析了它们的行为。高活性化合物2a和弱活性化合物10a的能隙分别为0.3508和0.4080。此外,通过代谢、排泄和毒性(ADME/T)预测所合成化合物的药代动力学特性。分子对接(计算机)和理论计算解释了作用机理。根据结果,所测试的抑制5GQB的化合物代表了对抗埃博拉病毒的有希望的新型候选药物。
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引用次数: 0
Influence of Tea Type and Tea-Making Utensil Materials on the Sense of Smell and Catechin Content 茶的种类和茶具材料对嗅觉和儿茶素含量的影响
IF 2.1 3区 农林科学 Q3 CHEMISTRY, APPLIED Pub Date : 2025-04-16 DOI: 10.1002/ffj.3866
Lin Pei-Ju, Zhang Yi-Xin

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.

采用高效液相色谱法测定了不同材质冲泡茶叶中儿茶素的含量。通过实验调查,探讨了茶叶种类、器皿材质、儿茶素浓度对评价者盲嗅测试的影响。结果表明,评估者认为未发酵的绿茶比部分发酵的乌龙茶和完全发酵的红茶具有更高的儿茶素浓度。他们还认为,不锈钢餐具会最大程度地影响绿茶、红茶和乌龙茶中的儿茶素含量。实验结果表明,充分发酵的红茶中儿茶素含量最高,食品级硅胶容器泡茶可能会增加儿茶素含量。与茶相关的职业背景的评估者更有可能闻到绿茶的花香。儿茶素浓度较低时的花香比浓度较高时更为明显。本研究的结果可以让消费者了解茶的好处,为茶相关领域和茶叶市场的供应商和销售商增加饮茶价值和茶叶消费者的产值提供参考。
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引用次数: 0
Advances in Preparation of Cyclodextrin-Based Stimulus-Responsive Carriers and Their Applications in Delivery of Functional Spices 环糊精刺激响应载体的制备及其在功能性香料输送中的应用研究进展
IF 2.1 3区 农林科学 Q3 CHEMISTRY, APPLIED Pub Date : 2025-04-12 DOI: 10.1002/ffj.3867
Liyang Xu, Yamei Wang, Yunwei Niu

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.

香料是在自然状态下可以通过嗅觉或味觉检测到的物质。目前,对具有抗肿瘤、血管化、抗炎、抗菌等特性的功能性香料的研究备受关注。然而,对香料及其输送系统的全面审查仍然有限。在香料递送的各种载体中,环糊精由于其独特的性质而被广泛应用,其具有疏水的内部和亲水的外部,特别是在递送难溶性香料方面。本文介绍了具有代表性的功能性香料及其作用机理,综述了环糊精和基于环糊精的刺激响应递送系统,并讨论了它们在香料递送领域的应用。提出了环糊精载体在香料输送中面临的挑战和未来发展方向,以促进构建有效的输送体系。
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引用次数: 0
Unravelling the Chemical Landscape of Neolitsea pallens Essential Oil: A Comparative Study of Geographical Chemotypes Using t-SNE and Hierarchical Clustering 揭示新石器海苍白精油的化学景观:基于t-SNE和层次聚类的地理化学型比较研究
IF 2.1 3区 农林科学 Q3 CHEMISTRY, APPLIED Pub Date : 2025-04-09 DOI: 10.1002/ffj.3865
Nisha Thakur, Y. C. Tripathi, V. K. Varshney

Neolitsea pallens 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 Neolitsea pallens 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, β-caryophyllene, β-sabinene and α-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.

新石器海淡色精油(NPEO)以其多样化的化学成分而闻名,其化学成分可能因地理来源而有很大差异。在这项研究中,我们旨在利用先进的多变量分析技术来探索不同地理区域NPEOs的化学变异性。该方法包括从喜马偕尔邦的13个不同地点收集新石器时代苍白树叶,然后使用克莱文杰式设备进行加氢蒸馏。采用气相色谱-质谱(GC-MS)和气相色谱-火焰电离检测(GC-FID)分析进行了全面的定性和定量化学分析。GC-MS分析鉴定出66种不同的化合物,以倍半萜类化合物为主,含量范围分别为10.33% ~ 59.21%。主要化合物为氧化石竹烯,浓度范围为3.32%±0.18% ~ 33.8%±2.43%,其中香卡德拉地区的浓度最高。为了阐明潜在的化学模式,区分地理化学类型并探索地点之间的高度相关性,我们采用了t分布随机邻居嵌入(t-SNE)、层次聚类分析(HCA)和Pearson相关矩阵。化学型鉴定为氧化石竹烯、β-石竹烯、β-石竹烯和α-木犀烯-14-醇。本研究首次强调了地理位置对npeo化学成分的显著影响。这些差异突出了在将npeo用于工业或治疗应用时考虑地理因素的必要性。t-SNE和分层聚类的整合为化学型分化提供了一个强大的框架,为该物种的化学多样性提供了更深入的见解。
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引用次数: 0
Anatomical and Morphological Characteristics of Salvia pachystachya Trautv. (Lamiaceae) and Phytochemical Profiling and Bioactivities of Its Essential Oils and Extracts 丹参的解剖形态学特征。(Lamiaceae)及其精油和提取物的植物化学特征和生物活性
IF 2.1 3区 农林科学 Q3 CHEMISTRY, APPLIED Pub Date : 2025-04-07 DOI: 10.1002/ffj.3864
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

Salvia pachystachya 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•+ 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, Escherichia coli WP2, and Allium cepa 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 S. pachystachya as a promising candidate for further pharmacological research, particularly for its potential in combating oxidative stress-related conditions such as diabetes and neurodegenerative diseases.

丹参是一种极具药用价值的植物,但其药理特性仍未得到充分的研究。本研究旨在探讨其解剖学、植物化学和生物活性特征,以综合评价其治疗潜力。显微分析揭示了其独特的解剖特征,包括四边形的茎和叶片上的腺毛,为了解植物的结构特性提供了有价值的见解。甲醇和水提物的植物化学分析表明,绿原酸为主要成分(11052.88 ~ 25718.77 ng/mL),精油主要成分为叶绿醇(48.4%)和石竹烯氧化物(26.2%)。总酚含量和抗氧化能力分析表明,甲醇提取物具有显著的ABTS•+清除活性(90.06%)。生物活性测定表明该植物具有抗糖尿病、抗胆碱酯酶和抗菌特性。LC-MS /MS分析表明,绿原酸是所分析化合物中含量最多的次生代谢物,在不同的植物部位和不同的提取溶剂中存在显著差异。空气部分甲醇提取物的浓度最高(34,885.06 ng/mL),其次是花甲醇提取物(25,718.77 ng/mL)。遗传毒性评估,包括艾姆斯、大肠杆菌WP2和葱属植物测试,证实了提取物的非遗传毒性。此外,分子对接表明绿原酸和奎宁酸与靶酶具有很强的结合亲和力,支持其治疗相关性。这些发现突出了肿心棘豆作为进一步药理研究的有希望的候选者,特别是它在对抗氧化应激相关疾病如糖尿病和神经退行性疾病方面的潜力。
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Flavour and Fragrance Journal
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