通过杂交和精馏增强山梨树精油的化学特征和生物活性：化学计量学和分子对接研究

IF 3.5 2区农林科学 Q2 BIOTECHNOLOGY & APPLIED MICROBIOLOGY

Food and Bioproducts Processing Pub Date : 2025-02-27 DOI:10.1016/j.fbp.2025.02.012

Fatima Ez-Zahra Aabassi, Mouhcine Fadil, Ayoub El-Mrabet, Taoufiq Saffaj, Mohamed Amine Mechatte, Abdellah Farah

{"title":"通过杂交和精馏增强山梨树精油的化学特征和生物活性：化学计量学和分子对接研究","authors":"Fatima Ez-Zahra Aabassi, Mouhcine Fadil, Ayoub El-Mrabet, Taoufiq Saffaj, Mohamed Amine Mechatte, Abdellah Farah","doi":"10.1016/j.fbp.2025.02.012","DOIUrl":null,"url":null,"abstract":"<div><div>The rectification of essential oils (EOs) through fractional distillation emerges as a promising approach for enhancing their compositional quality and biological efficacy. This physicochemical separation process enables the selective concentration of desirable bioactive compounds while simultaneously reducing the presence of unwanted constituents, thereby yielding fractions with optimized chemical profiles. This study investigated the semi-industrial rectification effects on EOs from <em>Eucalyptus camaldulensis</em> leaves and its hybrid Clone 583 through fractional distillation. Chemical analysis revealed higher yield in the hybrid (0.75 %) compared to the parent species (0.46 %), with 1.8-cineole and α-pinene identified as principal compounds among 38 detected constituents. Rectification yielded higher 1.8-cineole concentrations in hybrid fractions (85 % vs. 59 %) while reducing α-pinene content (5.10 % vs. 19.20 %). Clone 583 exhibited superior antibacterial activity against <em>M. smegmatis</em> (F<sub>c</sub>: 76.36 ± 0.08 mm vs. F<sub>6</sub>: 68.36 ± 0.17 mm) and enhanced antioxidant properties in DPPH assays (IC<sub>50</sub>: F<sub>c</sub>: 25.21 ± 0.05 µg/ml vs. F<sub>6</sub>: 44.00 ± 0.08 µg/ml). Principal Component Analysis and Hierarchical Cluster Analysis indicated 1.8-cineole as the primary contributor to antioxidant activity, while molecular docking suggested that both 1.8-cineole and α-pinene exert antibacterial effects through LasR-OC12 binding. These findings demonstrate that the combination of hybridization and rectification techniques present significant potential for various industrial applications, particularly in pharmaceutical, cosmetic, and food preservation sectors, where high-purity bioactive compounds are essential.</div></div>","PeriodicalId":12134,"journal":{"name":"Food and Bioproducts Processing","volume":"151 ","pages":"Pages 28-43"},"PeriodicalIF":3.5000,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Chemical profile and bioactivity enhancement of Eucalyptus camaldulensis essential oils through hybridization and rectification: A chemometric and molecular docking study\",\"authors\":\"Fatima Ez-Zahra Aabassi, Mouhcine Fadil, Ayoub El-Mrabet, Taoufiq Saffaj, Mohamed Amine Mechatte, Abdellah Farah\",\"doi\":\"10.1016/j.fbp.2025.02.012\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The rectification of essential oils (EOs) through fractional distillation emerges as a promising approach for enhancing their compositional quality and biological efficacy. This physicochemical separation process enables the selective concentration of desirable bioactive compounds while simultaneously reducing the presence of unwanted constituents, thereby yielding fractions with optimized chemical profiles. This study investigated the semi-industrial rectification effects on EOs from <em>Eucalyptus camaldulensis</em> leaves and its hybrid Clone 583 through fractional distillation. Chemical analysis revealed higher yield in the hybrid (0.75 %) compared to the parent species (0.46 %), with 1.8-cineole and α-pinene identified as principal compounds among 38 detected constituents. Rectification yielded higher 1.8-cineole concentrations in hybrid fractions (85 % vs. 59 %) while reducing α-pinene content (5.10 % vs. 19.20 %). Clone 583 exhibited superior antibacterial activity against <em>M. smegmatis</em> (F<sub>c</sub>: 76.36 ± 0.08 mm vs. F<sub>6</sub>: 68.36 ± 0.17 mm) and enhanced antioxidant properties in DPPH assays (IC<sub>50</sub>: F<sub>c</sub>: 25.21 ± 0.05 µg/ml vs. F<sub>6</sub>: 44.00 ± 0.08 µg/ml). Principal Component Analysis and Hierarchical Cluster Analysis indicated 1.8-cineole as the primary contributor to antioxidant activity, while molecular docking suggested that both 1.8-cineole and α-pinene exert antibacterial effects through LasR-OC12 binding. These findings demonstrate that the combination of hybridization and rectification techniques present significant potential for various industrial applications, particularly in pharmaceutical, cosmetic, and food preservation sectors, where high-purity bioactive compounds are essential.</div></div>\",\"PeriodicalId\":12134,\"journal\":{\"name\":\"Food and Bioproducts Processing\",\"volume\":\"151 \",\"pages\":\"Pages 28-43\"},\"PeriodicalIF\":3.5000,\"publicationDate\":\"2025-02-27\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Food and Bioproducts Processing\",\"FirstCategoryId\":\"97\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0960308525000410\",\"RegionNum\":2,\"RegionCategory\":\"农林科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"BIOTECHNOLOGY & APPLIED MICROBIOLOGY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Food and Bioproducts Processing","FirstCategoryId":"97","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0960308525000410","RegionNum":2,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"BIOTECHNOLOGY & APPLIED MICROBIOLOGY","Score":null,"Total":0}

引用次数: 0

摘要

通过分馏精馏对精油进行精馏是提高精油成分质量和生物功效的一种很有前途的方法。这种物理化学分离过程能够选择性地浓缩所需的生物活性化合物，同时减少不需要的成分的存在，从而产生具有优化化学特征的馏分。本研究采用分馏法研究了桉叶及其杂交无性系583的半工业精馏效果。化学分析表明，该杂交品种的产量（0.75 %）高于亲本（0.46 %），在38种检测到的成分中，鉴定出1.8桉叶油脑和α-蒎烯为主要化合物。精馏提高了杂交馏分中1.8-桉叶油脑的浓度（85 %对59 %），同时降低了α-蒎烯的含量（5.10 %对19.20 %）。克隆583表现出优越的抗菌活性与m . smegmatis (Fc: 76.36 ±0.08  毫米与F6: 68.36±0.17  毫米)和增强抗氧化性能在DPPH化验(IC50: Fc: 25.21 ±0.05  µg / ml vs F6: 44.00±0.08  µg / ml)。主成分分析和层次聚类分析表明，1.8-桉叶油脑是抗氧化活性的主要来源，分子对接表明1.8-桉叶油脑和α-蒎烯均通过LasR-OC12结合发挥抑菌作用。这些发现表明，杂交和精馏技术的结合为各种工业应用提供了巨大的潜力，特别是在制药、化妆品和食品保鲜领域，在这些领域，高纯度的生物活性化合物是必不可少的。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

查看原文本刊更多论文

Chemical profile and bioactivity enhancement of Eucalyptus camaldulensis essential oils through hybridization and rectification: A chemometric and molecular docking study

The rectification of essential oils (EOs) through fractional distillation emerges as a promising approach for enhancing their compositional quality and biological efficacy. This physicochemical separation process enables the selective concentration of desirable bioactive compounds while simultaneously reducing the presence of unwanted constituents, thereby yielding fractions with optimized chemical profiles. This study investigated the semi-industrial rectification effects on EOs from Eucalyptus camaldulensis leaves and its hybrid Clone 583 through fractional distillation. Chemical analysis revealed higher yield in the hybrid (0.75 %) compared to the parent species (0.46 %), with 1.8-cineole and α-pinene identified as principal compounds among 38 detected constituents. Rectification yielded higher 1.8-cineole concentrations in hybrid fractions (85 % vs. 59 %) while reducing α-pinene content (5.10 % vs. 19.20 %). Clone 583 exhibited superior antibacterial activity against M. smegmatis (F_c: 76.36 ± 0.08 mm vs. F₆: 68.36 ± 0.17 mm) and enhanced antioxidant properties in DPPH assays (IC₅₀: F_c: 25.21 ± 0.05 µg/ml vs. F₆: 44.00 ± 0.08 µg/ml). Principal Component Analysis and Hierarchical Cluster Analysis indicated 1.8-cineole as the primary contributor to antioxidant activity, while molecular docking suggested that both 1.8-cineole and α-pinene exert antibacterial effects through LasR-OC12 binding. These findings demonstrate that the combination of hybridization and rectification techniques present significant potential for various industrial applications, particularly in pharmaceutical, cosmetic, and food preservation sectors, where high-purity bioactive compounds are essential.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

Food and Bioproducts Processing 工程技术-工程：化工

CiteScore

9.70

自引率

4.30%

发文量

115

审稿时长

24 days

期刊介绍： Official Journal of the European Federation of Chemical Engineering: Part C FBP aims to be the principal international journal for publication of high quality, original papers in the branches of engineering and science dedicated to the safe processing of biological products. It is the only journal to exploit the synergy between biotechnology, bioprocessing and food engineering. Papers showing how research results can be used in engineering design, and accounts of experimental or theoretical research work bringing new perspectives to established principles, highlighting unsolved problems or indicating directions for future research, are particularly welcome. Contributions that deal with new developments in equipment or processes and that can be given quantitative expression are encouraged. The journal is especially interested in papers that extend the boundaries of food and bioproducts processing. The journal has a strong emphasis on the interface between engineering and food or bioproducts. Papers that are not likely to be published are those: • Primarily concerned with food formulation • That use experimental design techniques to obtain response surfaces but gain little insight from them • That are empirical and ignore established mechanistic models, e.g., empirical drying curves • That are primarily concerned about sensory evaluation and colour • Concern the extraction, encapsulation and/or antioxidant activity of a specific biological material without providing insight that could be applied to a similar but different material, • Containing only chemical analyses of biological materials.