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Production of teriflunomide-hydroxypropyl methyl cellulose composites utilizing the Gas Antisolvent (GAS) process and Box-Behnken Design 利用气体抗溶剂(Gas)工艺和Box-Behnken设计生产特氟米特-羟丙基甲基纤维素复合材料
IF 4.4 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-10-15 DOI: 10.1016/j.supflu.2025.106820
Mahshid Askarizadeh , Nadia Esfandiari , Bizhan Honarvar , Seyed Ali Sajadian , Amin Azdarpour
This study aimed to enhance the dissolution rate of Teriflunomide, a medication for multiple sclerosis that exhibits low water solubility despite its high permeability. To tackle this issue, the Gas Antisolvent technique was utilized to decrease the particle size of Teriflunomide. Three critical parameters were examined: pressure (10, 13, and 16 MPa), temperature (308, 318, and 328 K), and the ratio of Teriflunomide to Hydroxypropyl methylcellulose (1, 5, and 9 w/w). The optimization of these variables was carried out using the Box-Behnken Design method. The coprecipitation of Teriflunomide with Hydroxypropyl methylcellulose was investigated under optimal conditions (16 MPa, 315 K, and a 1 w/w ratio). DSC, XRD, FTIR, SEM, and DLS were employed to examine and characterize the thermal stability, crystallinity, and to assess the shape and position of the absorption peaks, as well as the morphology and particle size. The resulting TEF-HPMC nanoparticles were measured at 561 ± 25 nm, which was found to be significantly smaller than the original sample (125 ± 28 μm).
该研究旨在提高特立氟米特的溶出率,特立氟米特是一种治疗多发性硬化症的药物,尽管具有高通透性,但其水溶性却很低。为了解决这一问题,利用气体抗溶剂技术减小特立氟米特的粒径。考察了三个关键参数:压力(10、13和16 MPa)、温度(308、318和328 K)以及teri氟米特与羟丙基甲基纤维素的比例(1、5和9 w/w)。采用Box-Behnken设计方法对这些变量进行优化。在最佳条件(16 MPa, 315 K, 1 w/w比)下,研究了特立氟米特与羟丙基甲基纤维素的共沉淀。采用DSC、XRD、FTIR、SEM、DLS等检测和表征了材料的热稳定性、结晶度,并对吸收峰的形状、位置、形貌和粒径进行了评价。得到的TEF-HPMC纳米颗粒的尺寸为561 ± 25 nm,明显小于原始样品(125 ± 28 μm)。
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引用次数: 0
High-quality margarida avocado oil obtained by Sc-CO2 compared to commercial hass avocado oil from cold pressing and comparative lipid profile analysis by UPC² and GC/MS 用Sc-CO2法对冷压制得的优质牛油果油进行了比较,并用UPC²和GC/MS对牛油果油进行了脂质分析
IF 4.4 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-10-15 DOI: 10.1016/j.supflu.2025.106819
Kelly Roberta Pinheiro Pantoja , Giselle Cristine Melo Aires , Sophia Aimy Oppata , João Pedro Ferraz de Carvalho , Renato Macedo Cordeiro , Raul Nunes de Carvalho Junior
This study investigates the extraction of avocado oil from the Margarida variety using supercritical CO₂, with the aim of obtaining a product of superior quality compared to commercial avocado oil from the Hass variety, obtained by cold pressing. The quality of the oils was evaluated in terms of their physicochemical properties, composition of bioactive compounds (fatty acids, lutein, phenolic compounds, and α-tocopherol), and nutritional quality indices. Additionally, the study assessed the reproducibility of Ultra-Performance Convergence Chromatography (UPC²) compared to Gas Chromatography coupled with Mass Spectrometry (GC/MS) for the analysis of fatty acid profiles. The supercritical extraction yielded a high yield (44.90 %) and produced an oil with low levels of free fatty acids (1.04 %) and peroxides (7.03 meq/kg). The oil is rich in natural antioxidants, such as lutein (113.32 µg/g), phenolic compounds (137.75 µg GAE/g), and α-tocopherol (51.90 µg/g), and has a high concentration of beneficial fatty acids, with 44.41 % oleic acid and 28.37 % linoleic acid. With an excellent nutritional profile, evidenced by low atherogenic and thrombogenic indices. Statistical tests indicated no significant differences between the chromatographic techniques. Margarida oil demonstrates nutritional and functional properties superior to commercial Hass oil.
本研究研究了用超临界二氧化碳提取玛格丽达品种鳄梨油的方法,目的是获得比冷压法获得的哈斯品种鳄梨油质量更好的产品。从理化性质、生物活性成分(脂肪酸、叶黄素、酚类化合物和α-生育酚)的组成和营养品质指标等方面评价油的品质。此外,该研究还评估了超高性能收敛色谱(UPC²)与气相色谱-质谱联用(GC/MS)分析脂肪酸谱的可重复性。超临界萃取得到了高得率(44.90 %)和低含量的游离脂肪酸(1.04 %)和过氧化物(7.03 meq/kg)的油。油中富含叶黄素(113.32 µg/g)、酚类化合物(137.75 µg GAE/g)、α-生育酚(51.90 µg/g)等天然抗氧化剂,有益脂肪酸含量较高,油酸含量为44.41 %,亚油酸含量为28.37 %。具有良好的营养状况,证明了低动脉粥样硬化和血栓形成指数。统计检验表明色谱技术之间无显著差异。玛格丽达油的营养和功能特性优于商业哈斯油。
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引用次数: 0
Multilayer integrated design for frequency-tunable silicone rubber-based electromagnetic shielding foams 频率可调硅橡胶基电磁屏蔽泡沫的多层集成设计
IF 4.4 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-10-15 DOI: 10.1016/j.supflu.2025.106818
Zuoze Fan, Xiaohan Wang, Bo Wang, Yishen Zhao, Ruyun Xu, Guangxian Li, Xia Liao
The integrated preparation strategy of multi-layer foam materials is expected to meet the demand for frequency-selective electromagnetic shielding properties. In this study, a synergistic regulation strategy of magnetic field and supercritical CO2 foaming technology was employed to achieve the parallel alternate arrangement of conductive layers and porous layers. The impact of the layered cell structure in liquid silicone rubber/ ferrosoferric oxide modified graphene/ carbon nanotube (LSR/Fe3O4@G/CNT) on the electromagnetic shielding performance in the X-band (8.4 GHz–12.4 GHz) was systematically investigated. The results demonstrate that the electromagnetic shielding effectiveness (SET) of the unfoamed material remained stable at 11.4 dB. In contrast, the layered foam material exhibited frequency-selective electromagnetic shielding characteristics and the maximum SET reaching 33.4 dB after foaming. By adjusting the foaming parameters, the position of the shielding peak can be effectively regulated, enabling the multi-layered silicone rubber foam to achieve high shielding efficiency within specific frequency bands.
多层泡沫材料的综合制备策略有望满足频率选择性电磁屏蔽性能的需求。本研究采用磁场协同调节策略和超临界CO2发泡技术,实现导电层和多孔层的平行交替排列。系统研究了液态硅橡胶/氧化铁改性石墨烯/碳纳米管(LSR/Fe3O4@G/CNT)层状电池结构对x波段(8.4 GHz - 12.4 GHz)电磁屏蔽性能的影响。结果表明,非发泡材料的电磁屏蔽效能(SET)稳定在11.4 dB。相反,层状泡沫材料表现出频率选择性电磁屏蔽特性,发泡后最大SET达到33.4 dB。通过调节发泡参数,可以有效调节屏蔽峰值的位置,使多层硅橡胶泡沫在特定频段内具有较高的屏蔽效率。
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引用次数: 0
Upgrading and purification of biolubricants by extraction of fatty acid methyl esters with dense CO2 浓CO2萃取脂肪酸甲酯对生物润滑剂的升级提纯
IF 4.4 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-10-11 DOI: 10.1016/j.supflu.2025.106814
A. Pizzano , S.B. Rodriguez Reartes , P.E. Hegel
In the last years, there has been an increasing use of eco-friendly lubricant options produced from renewable raw materials, which are less toxic to humans and ecosystems. As the demand for sustainable products rises, lubricants derived from vegetable oils and animal fats are gaining attraction. In this study, we evaluate the purification of a biolubricant synthesized via classical alkali-catalyst esterification of fatty acid methyl esters (FAME) with trimethylolpropane (TMP) using CO2 as solvent media. Unlike conventional purification solvents, using CO2 minimizes environmental impact and aligns with green chemistry principles. We investigate the purification and upgrading of the filtrated biolubricant (28 wt% FAME) using CO2 -both in its liquid and supercritical states- as a green solvent for designing a more sustainable separation process. The study examines phase equilibria of the multicomponent mixture (liquid-liquid-vapor to liquid-vapor phase transition), solubility of biolubricant in CO2 (8.0–22.4 mg/g biolubricant/CO2 according to operating conditions) and the purification process. The final bio-based base oils are analyzed to determine their FAME content, viscosity, and viscosity index. Results show that purified bio-based base oils contain as little as 2.9 wt% FAME, with a viscosity of 0.051 Pa.s at 313.2 K and a viscosity index of 196, comparable to those of the trimethylolpropane triolein standard. These findings suggest that the bio-based base oils produced and purified are suitable for lubrication applications, matching or exceeding the quality of conventional lubricants.
在过去的几年里,越来越多的人使用由可再生原料生产的环保润滑剂,这些原料对人类和生态系统的毒性较小。随着对可持续产品需求的增加,从植物油和动物脂肪中提取的润滑油越来越受欢迎。在这项研究中,我们评估了传统的碱催化脂肪酸甲酯(FAME)与三甲基丙烷(TMP)酯化合成的生物润滑剂的纯化,以CO2为溶剂介质。与传统的净化溶剂不同,使用二氧化碳可以最大限度地减少对环境的影响,并符合绿色化学原则。我们研究了过滤后的生物润滑剂(28 wt% FAME)的净化和升级,使用液体和超临界状态的二氧化碳作为绿色溶剂,以设计更可持续的分离过程。本研究考察了多组分混合物的相平衡(液-液-气-液-气相变)、生物润滑剂在CO2中的溶解度(8.0-22.4 mg/g生物润滑剂/CO2,根据操作条件而定)和纯化过程。对最终的生物基基础油进行分析,确定其FAME含量、粘度和粘度指数。结果表明,纯化后的生物基基础油的FAME含量仅为2.9 wt%,粘度为0.051 Pa。s在313.2 K下,粘度指数为196,与三甲基丙烷三油醇标准相当。这些研究结果表明,所生产和纯化的生物基基础油适用于润滑应用,其质量与传统润滑油相当或超过传统润滑油。
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引用次数: 0
Microstructure and corrosion of cold-sprayed/laser-remelted TC4 coatings on 316 L SS in oxygenated NaCl-containing super/subcritical water 316 L SS表面冷喷涂/激光重熔TC4涂层在含氧超/亚临界水中的组织与腐蚀
IF 4.4 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-10-11 DOI: 10.1016/j.supflu.2025.106804
Jiawei Zhao , Lifeng Yang , Feiyu Chen , Wendeng Jiang , Mian Hu , Zhongting Hu , Zhiyan Pan , Junliang Wang
316 L stainless steel (316 L SS) is an important candidate material for super/subcritical water oxidation facilities; however, corrosion negatively affects its service life, especially in the presence of halogen ions such as chlorine. In this work, Ti-6Al-4V (TC4) coatings were deposited on 316 L SS substrates by cold spraying (CS) and subsequently remelted by laser remelting (LR). The corrosion resistance of the coatings was evaluated in subcritical (260 °C, 15.7 MPa) and supercritical (380 °C, 22.3 MPa) water containing 3.5 wt% NaCl and 3.0 wt% H2O2 for up to 300 h. Scanning electron microscopy/energy-dispersive X-ray spectroscopy (SEM/EDS) analysis revealed that LR effectively densified the coating surface and enhanced its structural integrity. Corrosion assessments based on weight change, SEM, EDS, and X-ray computed tomography (CT) indicated that the TC4 coating significantly improved the corrosion resistance of 316 L SS by inhibiting the outward diffusion of metallic elements and the inward diffusion of oxygen. X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) analyses showed that the oxide film formed on the TC4 coating consisted mainly of Ti, Al, Fe, and Cr oxides, and the inhibition effect of the coating on the matrix elements varied after different treatment processes. In particular, the 0.6 mm laser-enhanced coating has a lower corrosion weight change, a more uniform and dense corrosion surface, and a better inhibition. The combination of CS and LR is demonstrated to be an effective approach for enhancing the corrosion resistance of 316 L SS, showing great potential for application in super/subcritical water oxidation reactors.
316 L不锈钢(316 L SS)是超/亚临界水氧化设施的重要候选材料;然而,腐蚀会对其使用寿命产生负面影响,特别是在氯等卤素离子存在的情况下。采用冷喷涂(CS)技术在316 L SS基板上沉积Ti-6Al-4V (TC4)涂层,然后采用激光重熔(LR)技术进行重熔。在含3.5 wt% NaCl和3.0 wt% H2O2的亚临界水(260°C, 15.7 MPa)和超临界水(380°C, 22.3 MPa)中对涂层的耐蚀性进行了测试,测试时间为300 h。扫描电镜/能谱分析(SEM/EDS)表明,LR有效致密化了涂层表面,增强了涂层的结构完整性。基于重量变化、SEM、EDS和x射线计算机断层扫描(CT)的腐蚀评估表明,TC4涂层通过抑制金属元素的向外扩散和氧的向内扩散,显著提高了316 L SS的耐蚀性。x射线衍射(XRD)和x射线光电子能谱(XPS)分析表明,TC4涂层上形成的氧化膜主要由Ti、Al、Fe和Cr氧化物组成,不同处理工艺对基体元素的抑制效果不同。特别是0.6 mm激光增强涂层的腐蚀重量变化更小,腐蚀表面更均匀致密,缓蚀性更好。CS和LR的结合是提高316 L SS耐腐蚀性能的有效途径,在超/亚临界水氧化反应器中具有很大的应用潜力。
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引用次数: 0
Sustainable delamination of multilayer plastic films for advanced recycling 多层塑料薄膜的可持续分层,用于高级回收
IF 4.4 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-10-11 DOI: 10.1016/j.supflu.2025.106813
Ramiro J. Olmos-Greco , Eduardo Pérez , Lourdes Calvo , Albertina Cabañas
A novel delamination process for multilayer plastic films using supercritical CO₂ is proposed as a sustainable alternative to facilitate their recycling. The method involves exposing the films to pure CO2 or CO2 modified with a small amount of cosolvent under mild conditions (40–80 ºC, up to 200 bar), followed by rapid depressurisation. As proof of concept, the delamination of three commercial films used in food packaging is presented. The starting material and the delaminated layers were analysed by ATR-FTIR, TGA, DSC and SEM microscopy. Multilayer polymer films formed by polyethylene (PE) and polyethylene terephthalate (PET) or PE and Machine Directed Oriented PE (MDO-PE) prepared with polyurethane adhesive (PU) were delaminated at the PET/PU and MDO-PE/PU interfaces. Furthermore, PolyAl from an aseptic beverage carton delaminated partially, releasing a thin PE layer and an aluminium-enriched PolyAl composite. DMSO and methanol showed the highest delamination efficiency among the cosolvents, while acetone and water were ineffective under the conditions studied. A multiple mechanism for the process is proposed: (1) mechanical stress due to CO₂-induced polymer swelling and rapid depressurisation; (2) selective adhesive debonding via cosolvents. Further studies are needed to corroborate the mechanism, validate the process across varied materials, and optimise its performance. This technology could contribute significantly to a more circular and sustainable economy.
提出了一种使用超临界二氧化碳的多层塑料薄膜的新型分层工艺,作为一种可持续的替代方案,以促进其回收。该方法包括在温和条件下(40-80ºC,高达200 bar)将薄膜暴露于纯二氧化碳或用少量助溶剂改性的二氧化碳中,然后快速减压。作为概念的证明,介绍了三种用于食品包装的商业薄膜的分层。采用ATR-FTIR、TGA、DSC和SEM对原料和分层层进行了分析。将聚乙烯(PE)和聚对苯二甲酸乙二醇酯(PET)或用聚氨酯胶粘剂(PU)制备的聚乙烯和机器定向聚乙烯(MDO-PE)形成的多层聚合物薄膜在PET/PU和MDO-PE/PU界面上分层。此外,来自无菌饮料纸盒的聚铝部分分层,释放出薄PE层和富铝聚铝复合材料。在所研究的共溶剂中,DMSO和甲醇的分层效率最高,而丙酮和水的分层效率较低。提出了该过程的多种机制:(1)CO₂引起的聚合物膨胀和快速减压引起的机械应力;(2)通过共溶剂选择性脱粘。需要进一步的研究来证实机理,验证不同材料的过程,并优化其性能。这项技术可以为更加循环和可持续的经济做出重大贡献。
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引用次数: 0
Valorisation of tomato peel waste for lycopene encapsulation: Optimization and comparison of two green techniques 番茄红素包封番茄皮废弃物的研究:两种绿色工艺的优化与比较
IF 4.4 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-10-10 DOI: 10.1016/j.supflu.2025.106803
Junyang Li , Chiara Bufalini , Stefania Mottola , Maria Chiara Iannaco , Roberta Campardelli , Iolanda De Marco
Lycopene, a lipid-soluble carotenoid with potent antioxidant properties, is typically found in tomato peels, which are often discarded as by-products in the food industry. This study focused on extracting lycopene using solvent extraction and encapsulating it in polycaprolactone (PCL), a biodegradable polymer, using two different methods: solvent evaporation and supercritical emulsion extraction (SEE). Both methods were used to produce microparticles for nutraceutical applications. An optimization study based on Box-Behnken design and response surface modelling was conducted to assess the effects of emulsification stirring speed, emulsification time, and polymer amount on encapsulation efficiency and particle size. Particle sizes, measured by laser diffraction, ranged between 1.77 ± 0.10 and 2.82 ± 0.17 μm for solvent evaporation, and between 1.12 ± 0.03 and 2.72 ± 0.15 μm for SEE. Encapsulation efficiencies, measured by UV–vis spectroscopy, ranged between 28.45 ± 0.28 % and 89.94 ± 1.70 % for solvent evaporation, and between 66.52 ± 0.64 % and 89.45 ± 1.31 % for SEE. Results show that SEE yields more consistent encapsulation efficiencies compared to solvent evaporation. Additionally, the design of experiments (DoE) approach helped identify optimal conditions that minimize waste and maximize productivity. This work offers a sustainable method for converting agro-industrial waste into valuable nutraceutical products.
番茄红素是一种脂溶性类胡萝卜素,具有强大的抗氧化特性,通常存在于西红柿皮中,而西红柿皮通常作为食品工业的副产品而被丢弃。采用溶剂蒸发法和超临界乳液萃取法对番茄红素进行提取,并将其包封在生物可降解聚合物聚己内酯(PCL)中。这两种方法都用于生产用于营养保健的微颗粒。基于Box-Behnken设计和响应面建模进行优化研究,评估乳化搅拌速度、乳化时间和聚合物用量对包封效率和粒径的影响。激光衍射测得溶剂蒸发的粒径范围为1.77 ± 0.10 ~ 2.82 ± 0.17 μm, SEE的粒径范围为1.12 ± 0.03 ~ 2.72 ± 0.15 μm。封装效率,通过紫外可见光谱,测量范围在28.45 ±0.28   %和89.94±1.70  %为溶剂蒸发,和66.52之间 ±0.64   %和89.45±1.31  看到%。结果表明,与溶剂蒸发相比,SEE的包封效率更一致。此外,实验设计(DoE)方法有助于确定最佳条件,以最大限度地减少浪费和提高生产率。这项工作为将农业工业废物转化为有价值的营养保健品提供了一种可持续的方法。
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引用次数: 0
Solvent effects on kinetics of hydrolysis reactions in supercritical water 溶剂对超临界水中水解反应动力学的影响
IF 4.4 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-10-09 DOI: 10.1016/j.supflu.2025.106798
Akira Yoko , Mitsuru Sasaki , Tadafumi Adschiri
Hydrolysis reactions occurring under high-temperature compressed water, particularly near the critical point, are important for various organic and inorganic reaction applications. Earlier studies have examined solvent effects of hydrolysis reactions during metal oxide formation. The effectiveness of the Kirkwood equation for describing solvent effects has been reported. Distinguishing the reactant effects of water is important to treat kinetics data. Various hydrolysis reactions of organic compounds have been studied intensively for several decades. However, in terms of solvent effects, the analysis operation and the microscopic interpretation of the data have not been well established. For this study, the hydrolysis reactions of trehalose were examined specifically by comparing those of cellobiose and supercritical hydrothermal synthesis of metal oxides. Among the various aspects of water effects, the solvent effects described using the Kirkwood theory after considering the reactant effects were demonstrated effectively by the study findings.
在高温压缩水中发生的水解反应,特别是在临界点附近,对于各种有机和无机反应的应用是重要的。早期的研究考察了金属氧化物形成过程中水解反应的溶剂效应。柯克伍德方程是描述溶剂效应的有效方法。区分水的反应物效应对处理动力学数据很重要。几十年来,人们对有机化合物的各种水解反应进行了深入的研究。然而,在溶剂效应方面,分析操作和数据的微观解释尚未很好地建立。在本研究中,通过比较纤维素糖和超临界水热合成金属氧化物的水解反应,对海藻糖的水解反应进行了具体的研究。在水效应的各个方面中,考虑了反应物效应后用Kirkwood理论描述的溶剂效应得到了研究结果的有效证明。
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引用次数: 0
Towards sustainable extraction of bioactive compounds from guayusa (Ilex guayusa): A comparative study on compressed fluids’ performance 瓜柳草生物活性化合物的可持续提取:压缩流体性能的比较研究
IF 4.4 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-10-06 DOI: 10.1016/j.supflu.2025.106801
Minxing Zhang , Lidia Montero , Jose A. Mendiola , Elena Ibáñez
Ilex guayusa, a traditional Amazonian plant rich in caffeine and polyphenols, has attracted interest for its antioxidant and neuroprotective properties. This study evaluates the potential of green compressed fluid extraction techniques to recover bioactive compounds from I. guayusa leaves using environmentally friendly solvents: pressurized liquid extraction (PLE), gas-expanded liquids (GXL), and supercritical fluid extraction (SFE). A mixture design approach combining CO2, ethanol, water, and 2-methyltetrahydrofuran (2-MTHF) in different proportions as solvents was applied to optimize extraction conditions. Among the tested methods, GXL extraction yielded the highest phenolic content and demonstrated superior antioxidant (ABTS and DPPH) and anti-inflammatory (inhibition of lipoxigenase, LOX) activities. Conventional water maceration showed stronger cholinesterase inhibition, suggesting complementary neuroprotective potential. Chemical profiling (HPLC-DAD-ESI-MS/MS) of the optimized extract confirmed the presence of phenolic acids and flavonoids associated with the observed bioactivities. These findings highlight the effectiveness of compressed fluid-based green extraction for obtaining multifunctional phytochemicals from I. guayusa, with promising applications in functional foods and nutraceuticals.
冬青,一种富含咖啡因和多酚的传统亚马逊植物,因其抗氧化和神经保护特性而引起了人们的兴趣。本研究评估了绿色压缩流体提取技术的潜力,利用环保型溶剂:加压液体萃取(PLE)、气胀液体萃取(GXL)和超临界流体萃取(SFE)从番石榴叶中提取生物活性化合物。采用不同比例的CO2、乙醇、水和2-甲基四氢呋喃(2-MTHF)作为溶剂的混合设计方法优化提取条件。其中,GXL提取法的酚类物质含量最高,具有较强的抗氧化(ABTS和DPPH)和抗炎(抑制脂氧化酶,LOX)活性。常规水浸对胆碱酯酶有较强的抑制作用,提示互补的神经保护潜力。化学分析(HPLC-DAD-ESI-MS/MS)证实,优选的提取物中存在与生物活性相关的酚酸和黄酮类化合物。这些研究结果强调了压缩流体绿色提取技术在番石榴中提取多功能植物化学物质的有效性,在功能食品和营养保健品中具有广阔的应用前景。
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引用次数: 0
1-butanol adsorption on activated carbon in supercritical CO2: Experimental measurements and thermodynamic modeling 超临界CO2中1-丁醇在活性炭上的吸附:实验测量和热力学模型
IF 4.4 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-10-03 DOI: 10.1016/j.supflu.2025.106802
Daichi Imai, Ikuo Ushiki
This study presents the first investigation of the equilibrium adsorption of 1-butanol on activated carbon in a supercritical CO2 environment, covering a temperature range of 313 K to 353 K and pressures from 10.0 MPa to 20.0 MPa. A fixed-bed column setup, combined with flame ionization detection, enabled the accurate quantification of equilibrium adsorption in supercritical CO2. The Dubinin–Astakhov (DA) equation was used to model the equilibrium data and derive physically meaningful parameters: EVOC (interaction energy between VOC and adsorbent) and W0,VOC (saturated adsorption volume). Among the alcohol-based VOCs tested, 1-butanol consistently showed the strongest affinity for the activated carbon surface, due to its molecular structure and lower volatility. In addition to confirming common trends such as the effect of CO2 density on adsorption capacity, this study uniquely shows that adsorption energy increases systematically with VOC molecular size, and that saturated adsorption volume is inversely related to saturated fugacity of VOCs. These findings offer a new thermodynamic perspective that links microscopic molecular properties to macroscopic adsorption behavior, thereby enhancing our understanding of VOC adsorption under supercritical CO2 conditions.
本研究首次研究了1-丁醇在超临界CO2环境下的平衡吸附,温度范围为313 K至353 K,压力范围为10.0 MPa至20.0 MPa。固定床柱装置,结合火焰电离检测,可以准确定量超临界CO2中的平衡吸附。利用Dubinin-Astakhov (DA)方程对平衡数据进行建模,得到具有物理意义的参数:EVOC (VOC与吸附剂的相互作用能)和W0,VOC(饱和吸附体积)。在测试的醇基挥发性有机化合物中,由于其分子结构和较低的挥发性,1-丁醇始终表现出对活性炭表面最强的亲和力。除了确认CO2密度对吸附容量的影响等共同趋势外,本研究还独特地表明,吸附能随着VOC分子大小的增加而系统地增加,饱和吸附体积与VOCs的饱和逸度呈负相关。这些发现提供了一个新的热力学视角,将微观分子性质与宏观吸附行为联系起来,从而增强了我们对超临界CO2条件下VOC吸附的理解。
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Journal of Supercritical Fluids
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