Journal of Supercritical Fluids最新文献_第5页

Green extraction of β-carotene-rich oil from tucumã (Astrocaryum vulgare Mart.) pulp using compressed propane 利用压缩丙烷从tucumã （Astrocaryum vulgare Mart.）纸浆中绿色提取富含β-胡萝卜素的油

IF 4.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2026-05-01 Epub Date: 2026-01-09 DOI: 10.1016/j.supflu.2026.106889

Lucas Cantão Freitas , Vanessa Souza Carvalho , Rogério Willian Silva dos Santos , Manoel Benedito Sousa Cantão , Eduardo Gama Ortiz Menezes , Marcos Lúcio Corazza , Maria Lucia Masson

{"title":"Green extraction of β-carotene-rich oil from tucumã (Astrocaryum vulgare Mart.) pulp using compressed propane","authors":"Lucas Cantão Freitas , Vanessa Souza Carvalho , Rogério Willian Silva dos Santos , Manoel Benedito Sousa Cantão , Eduardo Gama Ortiz Menezes , Marcos Lúcio Corazza , Maria Lucia Masson","doi":"10.1016/j.supflu.2026.106889","DOIUrl":"10.1016/j.supflu.2026.106889","url":null,"abstract":"<div><div>Tucumã pulp oil was obtained for the first time using compressed propane extraction (CPE) and compared with the conventional Soxhlet method. The overall extraction yield was determined, and the Spline model was employed to fit the kinetic parameters, including temperature and solvent flow rate. The oils were characterized by their fatty acid composition, β-carotene content, antioxidant capacity, total phenolics content (TPC), total flavonoids (TF), and thermal behavior. CPE extraction provided the highest extraction yield (33.9 wt%) with an efficiency of up to 91.4 %. The extraction condition that resulted in the highest yield was 80 °C and 3 mL/min, with solvent flow rate showing a significant effect (p < 0.05) on the oil extraction yield. The Spline model provided a suitable fit, with a correlation coefficient of R² = 0.99. Tucumã pulp oil obtained via CPE proved to be an excellent source of β-carotene (21 times more than oils obtained by Soxhlet) and oleic acid, both of which are bioactive compounds of great interest in various industrial sectors, with potential applications in cosmetics, foods, and pharmaceuticals. Such applications enhance the production chain of this species, contributing to the Amazonian bioeconomy development.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"231 ","pages":"Article 106889"},"PeriodicalIF":4.4,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145956801","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Modeling supercritical water gasification of municipal waste: Machine learning and data augmentation approaches 城市垃圾超临界水气化建模：机器学习和数据增强方法

IF 4.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2026-05-01 Epub Date: 2025-12-21 DOI: 10.1016/j.supflu.2025.106872

A. Cosenza , B. Cosenza , S. Lima , F. Scargiali , G. Caputo

{"title":"Modeling supercritical water gasification of municipal waste: Machine learning and data augmentation approaches","authors":"A. Cosenza , B. Cosenza , S. Lima , F. Scargiali , G. Caputo","doi":"10.1016/j.supflu.2025.106872","DOIUrl":"10.1016/j.supflu.2025.106872","url":null,"abstract":"<div><div>This study presents a comprehensive machine learning framework for modeling supercritical water gasification (SCWG) of organic fraction of municipal solid waste (OFMSW) to optimize syngas production. A systematic experimental campaign investigated 16 conditions across 400–450 °C, 10–60 min reaction times, and OFMSW/H₂O ratios of 0.050–0.085, yielding gas compositions with H₂ concentrations of 12–44 %, CO₂ of 24–79 %, CO of 2.8–15.7 %, and CH₄ of 0–22 %. To address limited experimental data challenges, a SCWG-tailored Monte Carlo augmentation with compositional closure, measurement-uncertainty modeling, and leakage-free cross-validation was implemented to address tiny-n multi-output composition prediction, incorporating experimentally characterized uncertainties and generating augmented datasets of 10 × and 100 × the original size while enforcing physical feasibility (non-negativity, unit-sum, and range bounds). Random Forest (RF) and Gradient Boosting (GB) algorithms were employed for multi-output modeling of gas yield and composition. Under physically constrained augmentation and cross-validation, high in-domain accuracy is achieved across the explored operating window with R² values increasing from 0.445 ± 0.327 (RF) and 0.549 ± 0.324 (GB) on original data to > 0.96 for major components on 100 × augmented datasets. Process optimization identified distinct optimal conditions: hydrogen fuel production (450 °C, 16 min, yielding 39.4 % H₂ with 77.6 % gas yield) and Fischer-Tropsch synthesis (450 °C, 10 min, achieving H₂/CO ratio of 2.13 with 63.6 % gas yield). The framework successfully bridges limited experimental data and reliable process optimization, providing validated methodology for advancing SCWG technology toward industrial implementation. Independent validation on new waste batches and configurations will be required to establish broader generalization.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"231 ","pages":"Article 106872"},"PeriodicalIF":4.4,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145796136","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Continuous drying of alginate aerogel particles: Residence time measurement and process optimization under high pressure conditions 海藻酸盐气凝胶颗粒的连续干燥：高压条件下停留时间的测量和工艺优化

IF 4.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2026-05-01 Epub Date: 2026-01-07 DOI: 10.1016/j.supflu.2026.106888

Erik Manke , Bennet Rastar , Alberto Bueno , Baldur Schroeter , Irina Smirnova

{"title":"Continuous drying of alginate aerogel particles: Residence time measurement and process optimization under high pressure conditions","authors":"Erik Manke , Bennet Rastar , Alberto Bueno , Baldur Schroeter , Irina Smirnova","doi":"10.1016/j.supflu.2026.106888","DOIUrl":"10.1016/j.supflu.2026.106888","url":null,"abstract":"<div><div>This study advances continuous supercritical carbon dioxide (scCO₂) drying of aerogel particles by introducing a non-invasive optical method to determine particle residence time in a countercurrent extraction column. In countercurrent operation, scCO₂ flows upward while the particle suspension in ethanol enters from the top. The method enables precise, real-time residence time measurement under high pressure conditions without disturbing the process. The effects of pressure (100–150 bar), temperature (40–80 °C), CO₂ flow rate (30–80 g/min), and suspension flow rate (10–45 g/min) on residence time and drying efficiency were accordingly analyzed. Experiments were performed in a 1.25 m high extraction column, with an internal diameter of 20.5 mm, using highly spherical alginate beads with a diameter of ∼ 400 µm as a model system. Evidence of effective solvent removal throughout the whole operation range was provided by determination of the residual ethanol content in the intact aerogel beads after the drying process (0.0053–0.0341 g<sub>ethanol</sub>/g<sub>aerogel</sub>). The dried products featured a specific surface area of 363 ± 27 m²/g, a mesopore volume of 3.2 ± 0.7 cm³ /g, consistent with the typical range of alginate aerogels. The combined insights provide a comprehensive picture of the countercurrent column’s operational response and allow the definition of practical operating windows. Elevated temperature and high pressure provide the most favorable trade-off between short residence time and minimized residual ethanol, maximizing the time-specific yield. Overall, the approach establishes a robust, transferable framework for optimizing continuous scCO₂ drying of aerogel particles and supports extension to other particle sizes and formulations.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"231 ","pages":"Article 106888"},"PeriodicalIF":4.4,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145956821","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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High-rate anti-shrinkage poly (butylene adipate-co-terephthalate) / poly(butylene succinate) foams with varying PMMA-GMA content 具有不同PMMA-GMA含量的高速率抗收缩聚己二酸丁二酯/聚丁二酸丁二酯泡沫

IF 4.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2026-04-01 Epub Date: 2025-11-03 DOI: 10.1016/j.supflu.2025.106831

Hanlin Tian , Zepeng Wang , Jinshuo Yu , Yan Zhao , Hongwei Pan , Junjia Bian , Zhibing Wang , Huiliang Zhang

{"title":"High-rate anti-shrinkage poly (butylene adipate-co-terephthalate) / poly(butylene succinate) foams with varying PMMA-GMA content","authors":"Hanlin Tian , Zepeng Wang , Jinshuo Yu , Yan Zhao , Hongwei Pan , Junjia Bian , Zhibing Wang , Huiliang Zhang","doi":"10.1016/j.supflu.2025.106831","DOIUrl":"10.1016/j.supflu.2025.106831","url":null,"abstract":"<div><div>The supercritical CO₂ (sc-CO<sub>2</sub>) foaming method is a green and highly efficient foaming technique. ts integration with biodegradable (butylene adipate-co-terephthalate) (PBAT) for foam preparation has increasingly become a research hotspot. However, insufficient foaming and shrinkage remain the primary challenges limiting the application of PBAT foam. To address these issues, foam materials were prepared by incorporating PMMA-GMA into PBAT and PBS, and the effect of PMMA-GMA content on the foaming behavior was investigated. This addition improves the expansion ratio and PBAT foam stability. PMMA-GMA enhanced the storage modulus and complex viscosity in rheological properties, which supports improved polymer foaming. The introduction of carbonyl groups on PMMA and the reduction in phase domain size facilitate CO<sub>2</sub> absorption, thereby increasing the expansion ratio. The high rigidity of PMMA significantly improves the compressive strength of the foam. At 20 % PMMA-GMA content, the foam maintains an expansion ratio of 18.3, with shrinkage reduced to 13 %, and achieves a normalized compression modulus of 2.88 MPa.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"230 ","pages":"Article 106831"},"PeriodicalIF":4.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145435103","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Selective extraction and structural conversion of nutmeg-derived aromatics via subcritical water extraction technique 亚临界水萃取技术对肉豆蔻衍生芳烃的选择性萃取及结构转化

IF 4.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2026-04-01 Epub Date: 2025-12-04 DOI: 10.1016/j.supflu.2025.106868

Jin-Mi Park, Min-Jung Ko

{"title":"Selective extraction and structural conversion of nutmeg-derived aromatics via subcritical water extraction technique","authors":"Jin-Mi Park, Min-Jung Ko","doi":"10.1016/j.supflu.2025.106868","DOIUrl":"10.1016/j.supflu.2025.106868","url":null,"abstract":"<div><div>The extraction characteristics of six aromatic compounds present in nutmeg were investigated using subcritical water extraction (SWE), at 110–200 ℃ for 5–20 min. All aromatic compounds exhibited higher yields at elevated temperatures because of increased solubility resulting from the decreased dielectric constant of subcritical water. The possibility of structural conversion due to hydrothermal decomposition and isomerization at approximately 190–200 ℃ was confirmed. Eugenol, <em>trans</em>-isoeugenol, <em>cis</em>-isoeugenol, and methoxyeugenol yields under the optimal SWE conditions exceeded those obtained using conventional extraction methods at relatively lower temperatures. In contrast, methyleugenol and myristicin yields were higher for solvent extraction (acetone, ethanol, and methanol) and supercritical fluid extraction. These results are based on the differences in the polarity and thermal stability of the compounds. Therefore, SWE effectively extracts thermally stable components from nutmeg while limiting the extraction of methyleugenol and myristicin. This highlights that SWE is efficient for selectively extracting thermally stable compounds.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"230 ","pages":"Article 106868"},"PeriodicalIF":4.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145689279","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Towards a sustainable utilization of Tannat grape seeds: Extraction of bioactive compounds through green technologies and waste revalorization 单宁葡萄籽的可持续利用：通过绿色技术和废物再利用提取生物活性化合物

IF 4.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2026-04-01 Epub Date: 2025-11-23 DOI: 10.1016/j.supflu.2025.106850

Carla Bonifacino , Cecilia Dauber , Analía Martínez , Florencia Tourné , Bruno Irigaray , Ignacio Vieitez , Cecilia Abirached

{"title":"Towards a sustainable utilization of Tannat grape seeds: Extraction of bioactive compounds through green technologies and waste revalorization","authors":"Carla Bonifacino , Cecilia Dauber , Analía Martínez , Florencia Tourné , Bruno Irigaray , Ignacio Vieitez , Cecilia Abirached","doi":"10.1016/j.supflu.2025.106850","DOIUrl":"10.1016/j.supflu.2025.106850","url":null,"abstract":"<div><div>Valorizing wine industry by-products like Tannat grape seeds offers a sustainable path to recover high-value bioactives and reduce environmental impact. This study aims to achieve their comprehensive value-added utilization by comparing extraction methods to obtain bioactive compounds of interest and by characterizing the functional properties of the solid residue remaining after extraction. Three extraction techniques were applied: the conventional Soxhlet method, using either absolute ethanol or hexane, supercritical fluid extraction (SFE) and pressurized liquid extraction (PLE), assessing the effects of temperature and ethanol concentration on extraction yield and antioxidant properties. Under optimal conditions (80 °C and 67 % ethanol), PLE achieved a higher yield than the conventional method, with elevated α-tocopherol content (844.4 ± 15.3 mg/kg mg/kg) and a lipid fraction dominated by polyunsaturated fatty acids, primarily linoleic acid. This fraction showed significant antioxidant capacity as determined by the ABTS and ORAC-FL assays and, in an accelerated oxidation test, increased the induction period of sunflower oil in a concentration-dependent manner, with an effect comparable to that of the synthetic antioxidant BHA. The solid residue generated after PLE was evaluated for its techno-functional properties. It exhibited higher water-holding capacity compared with untreated ground seeds, possibly due to its higher relative fiber content and structural changes induced by processing. Furthermore, the residue retained residual bioactive properties, highlighting its potential as a functional ingredient. Overall, these results support the use of PLE as an efficient strategy for the integral and sustainable utilization of Tannat grape seeds.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"230 ","pages":"Article 106850"},"PeriodicalIF":4.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145575483","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Dense membranes for the recovery of solutes from supercritical CO2: A review 从超临界CO2中回收溶质的致密膜研究进展

IF 4.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2026-04-01 Epub Date: 2025-11-24 DOI: 10.1016/j.supflu.2025.106847

Ana Paula Kaucz, Dihia Chabni, Jean-Stéphane Condoret, Jean-Christophe Remigy, Séverine Camy

{"title":"Dense membranes for the recovery of solutes from supercritical CO2: A review","authors":"Ana Paula Kaucz, Dihia Chabni, Jean-Stéphane Condoret, Jean-Christophe Remigy, Séverine Camy","doi":"10.1016/j.supflu.2025.106847","DOIUrl":"10.1016/j.supflu.2025.106847","url":null,"abstract":"<div><div>This review provides a comprehensive and updated analysis of the use of dense polymeric membranes with supercritical carbon dioxide (SC-CO<sub>2</sub>) processes, with the target of the recovery of solutes solubilized in SC-CO<sub>2</sub> for energy savings. Based on a systematic literature review, this work categorizes membrane applications into three main operational scenarios, each defined by distinct solute-CO<sub>2</sub>-membrane interactions. These scenarios are used as a guiding framework to evaluate membrane materials, process configurations, and performance metrics such as permeance, selectivity, and energy efficiency. Both rubbery and glassy polymers are discussed, with emphasis on their behavior under SC-CO<sub>2</sub> conditions, including plasticization, swelling, and long-term stability. Advanced strategies for mitigating CO<sub>2</sub>-induced membrane degradation and enhancing separation performance are also addressed. Although promising, the integration of dense membranes in SC-CO<sub>2</sub> systems remains limited by the lack of long-term performance data and by challenges in scaling up to industrial applications. This review not only summarizes current knowledge but also identifies research gaps and provides perspectives for future developments in this emerging field.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"230 ","pages":"Article 106847"},"PeriodicalIF":4.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145583882","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Experimental analysis on density field of supercritical CO2 flow in a converging-diverging channel by fast interferometer technique 快速干涉仪技术对会聚-发散通道中超临界CO2流动密度场的实验分析

IF 4.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2026-04-01 Epub Date: 2025-12-09 DOI: 10.1016/j.supflu.2025.106870

Huimei Wang , Zi Xu , Lin Chen

{"title":"Experimental analysis on density field of supercritical CO2 flow in a converging-diverging channel by fast interferometer technique","authors":"Huimei Wang , Zi Xu , Lin Chen","doi":"10.1016/j.supflu.2025.106870","DOIUrl":"10.1016/j.supflu.2025.106870","url":null,"abstract":"<div><div>The density field distribution of supercritical CO₂ (sCO₂) has been investigated through a visualization experiment of a converging-diverging channel by high-speed interferometer technique. The density fields of three phase-state processes (pseudo-liquid, trans-pseudo-critical, and pseudo-gas) under two inlet temperatures were quantitatively analyzed in this study. It has been found that the density decreases rapidly in the converging section, reaches a minimum near the throat region, and then recovers gradually in the expansion section. In the pseudo-liquid region, as the inlet pressure approaches the pseudo-critical line, the density variation becomes more pronounced compared to the pseudo-critical and pseudo-gas regions. Although the absolute value of relative density change increases with the increase of pressure difference, the flow exhibits stronger instability near the critical point under a pressure difference of 3800 Pa due to parametric sensitivity. Transient analysis reveals dynamic flow details, with high-density irregular clusters predominantly forming in the converging section. Notably, when the inlet temperature deviates from the critical point, the pseudo-gas region displays enhanced time-dependent density fluctuations, accompanied by more distinct transient response characteristics.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"230 ","pages":"Article 106870"},"PeriodicalIF":4.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145732268","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Lattice-Boltzmann methods for supercritical fluids flows 超临界流体流动的晶格-玻尔兹曼方法

IF 4.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2026-04-01 Epub Date: 2025-11-22 DOI: 10.1016/j.supflu.2025.106838

Jian Cardenas, Song Zhao, Isabelle Raspo, Guillaume Chiavassa, Pierre Boivin

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Supercritical CO₂ extraction of Withania frutescens essential oils: Box-behnken RSM optimization, antifungal, antioxidant activities and molecular docking insights 苦参精油的超临界co2萃取：box-behnken RSM优化、抗真菌、抗氧化活性及分子对接见解

IF 4.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2026-04-01 Epub Date: 2025-12-05 DOI: 10.1016/j.supflu.2025.106869

Abderrahman Makaoui , Abdelmonaem Talhaoui , Hamza Bouakline , Ridouan El Yousfi , Kaoutar Aboukhalid , Abdessadek Essadek , Abdelhak Khallou , Ali Elbachiri , Abdesselam Maatougui , Boukherroub Rabah , Mounsef Neffa

{"title":"Supercritical CO₂ extraction of Withania frutescens essential oils: Box-behnken RSM optimization, antifungal, antioxidant activities and molecular docking insights","authors":"Abderrahman Makaoui , Abdelmonaem Talhaoui , Hamza Bouakline , Ridouan El Yousfi , Kaoutar Aboukhalid , Abdessadek Essadek , Abdelhak Khallou , Ali Elbachiri , Abdesselam Maatougui , Boukherroub Rabah , Mounsef Neffa","doi":"10.1016/j.supflu.2025.106869","DOIUrl":"10.1016/j.supflu.2025.106869","url":null,"abstract":"<div><div>This research aims to enhance the extraction process of essential oils from <em>Withania frutescens</em> through the use of supercritical CO₂ (scCO<sub>2</sub>) in combination with Box-Behnken response surface methodology (RSM). The optimized extraction parameters identified were 200 bar, 50 °C, and a duration of 180 min, resulting in a maximum yield of 14.66 %. Gas chromatography-mass spectrometry (GC-MS) analysis identified the main bioactive components, including thymol (about 40.45 %) and caryophyllene oxide (about 52.93 %). The extracted essential oils showed notable antifungal properties against <em>Alternaria alternata</em>, achieving an inhibition rate of 63.7 % at a concentration of 1.5 mg/mL, along with significant antioxidant activity, as indicated by low IC50 value (∼1 mg/mL). Molecular docking studies revealed stable interactions between γ-terpinene and thymol with fungal target proteins, confirming their antifungal effectiveness observed in experiments. These results underscore the potential of <em>W. frutescens</em> essential oils as a sustainable alternative to synthetic fungicides, holding promise for valuable applications in both agricultural and pharmaceutical sectors.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"230 ","pages":"Article 106869"},"PeriodicalIF":4.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145689278","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0