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Phase Behavior and Molecular Structure of Thiophene/[Bmim][SCN]/supercritical CO2 Systems: A Gibbs Ensemble Monte Carlo Study 噻吩/[Bmim][SCN]/超临界CO2体系的相行为和分子结构:Gibbs系综蒙特卡罗研究
IF 3.9 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Pub Date : 2026-03-13 DOI: 10.1016/j.supflu.2026.106960
Ning Gu, Yun Shen, Yueyang Xu, Liming Kong, Yongping Zeng
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引用次数: 0
Influence of Propylene Glycol on the Thermodynamics and Kinetics of Methane Hydrate Formation 丙二醇对甲烷水合物形成热力学和动力学的影响
IF 3.9 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Pub Date : 2026-03-11 DOI: 10.1016/j.supflu.2026.106965
Jafar Javanmardi, Ali Rasoolzadeh, Amir H. Mohammadi
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引用次数: 0
Synthesis of glycerol carbonate via direct carbonation of glycerol in CO2 over Pd/CeO2/TiO2 catalyst Pd/CeO2/TiO2催化下,甘油在CO2中直接碳化合成碳酸甘油
IF 4.4 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Pub Date : 2026-03-01 Epub Date: 2025-10-30 DOI: 10.1016/j.supflu.2025.106827
Awais Khalid, Satam Alotibi
We report herein the effect of Pd loading supported over CeO2/TiO2 nanocomposite for catalytic carbonation of glycerol with CO2. The synthesized catalyst was thoroughly characterized using various spectroscopic and microscopic techniques and overserved uniformly dispersed 1.5 % Pd nanoparticles of 5–20 nm showed improved conversion of glycerol to 34 % with 60 % glycerol carbonate selectivity at 150°C. Reaction parameters, such as temperature, CO2 pressure, mmol of 2-cyanopyridine, and the reaction time, were investigated. Sheldon’s hot filtration test confirmed the catalyst’s heterogeneity with no leaching up to five consecutive cycles.
本文报道了CeO2/TiO2纳米复合材料负载Pd对甘油与CO2催化碳酸化反应的影响。利用各种光谱和显微技术对合成的催化剂进行了全面表征,并在150°C下均匀分散的1.5 % Pd纳米颗粒(5-20 nm)表明,甘油转化率提高到34 %,碳酸甘油选择性提高到60 %。考察了反应温度、CO2压力、2-氰吡啶的mmol和反应时间等参数。谢尔顿的热过滤测试证实了催化剂的非均质性,连续五次循环都没有浸出。
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引用次数: 0
A novel extract of Dendrobium flexicaule flower: Volatile components and neuroprotective potential 一种新的石斛花提取物:挥发性成分及其神经保护作用
IF 4.4 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Pub Date : 2026-03-01 Epub Date: 2025-11-12 DOI: 10.1016/j.supflu.2025.106840
Xu Lu , Xicheng Yang , Jia Zhang , Pengpeng Zhang , Qian Liu , Feng Zhou , Yanpei Sun , Hongjuan Zhang , Dongyin Chen , Yang Jin , Lina Chen
In recent years, the remarkable bioactivities and nutritional value of Dendrobium flexicaule flowers have become increasingly evident, underscoring their potential for broad applications. However, optimal extraction techniques and their health-promoting effects remain inadequately unexplored. This study investigated the neuroprotective effects of supercritical fluid-extracted DFF extract (DFFE), identified its key constituents, and elucidated underlying mechanisms via integrated in vitro and in silico approaches. Herein, the extract was obtained using supercritical fluid extraction (SFE), which demonstrated superior efficiency in preserving thermo-labile compounds and minimizing oxidative degradation compared to conventional ethanol reflux extraction, as evidenced by enhanced recovery of unsaturated fatty acids and sterols. Gas chromatography-mass spectrometry (GC-MS) analysis identified a total of 96 chemical constituents in DFFE. Notably, DFFE significantly mitigated glutamate-induced damage in PC12 cells by reducing LDH release, ROS generation, and enhancing antioxidant enzyme activity. Network pharmacology revealed linoleic acid, hexadecenoic acid, and pentadecanoic acid as core bioactive components, targeting PPARG, GSK3β, IL6, PTGS2, and MAPK3, which modulate Alzheimer’s and TNF signaling pathways. Molecular docking demonstrated stable interactions between most bioactive components and core targets through hydrogen bonds, with binding energies predominantly less than −5 kcal/mol. Ultimately, the extraction process was optimized using a decision tree model, which highlighted temperature and pressure as crucial parameters. Overall, these findings underscore DFFE’s potential as a neuroprotective agent for functional food or therapeutic development.
近年来,石斛花具有显著的生物活性和营养价值,具有广阔的应用前景。然而,最佳的提取技术及其促进健康的效果仍未得到充分的探索。本研究研究了超临界流体提取DFF提取物(DFFE)的神经保护作用,确定了其关键成分,并通过体外和计算机集成方法阐明了其潜在机制。本文采用超临界流体萃取(SFE)获得提取物,与传统的乙醇回流萃取相比,超临界流体萃取在保存热不稳定性化合物和减少氧化降解方面表现出更高的效率,不饱和脂肪酸和甾醇的回收率也有所提高。气相色谱-质谱(GC-MS)分析鉴定出DFFE中共96种化学成分。值得注意的是,DFFE通过减少LDH释放、ROS生成和增强抗氧化酶活性,显著减轻了谷氨酸诱导的PC12细胞损伤。网络药理学发现亚油酸、十六烯酸和五烯酸是核心生物活性成分,靶向调节阿尔茨海默病和TNF信号通路的PPARG、GSK3β、IL6、PTGS2和MAPK3。分子对接表明,大多数生物活性成分与核心靶标之间通过氢键稳定相互作用,结合能主要小于−5 kcal/mol。最后,利用决策树模型对提取过程进行优化,其中温度和压力是关键参数。总的来说,这些发现强调了DFFE作为功能性食品或治疗开发的神经保护剂的潜力。
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引用次数: 0
Phase behavior in heterogeneous catalytic hydrogenation of oils in supercritical fluids 超临界流体中油非均相催化加氢的相行为
IF 4.4 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Pub Date : 2026-03-01 Epub Date: 2025-11-12 DOI: 10.1016/j.supflu.2025.106841
Iván Navarro-Cárdenas, Andreas Kilzer, Eckhard Weidner, Marcus Petermann
Conventional catalytic hydrogenation of oils is essentially constrained by mass-transfer resistance because of the poor solubility of hydrogen in liquid-phase substrates. Supercritical fluids (SCFs) offer a solution by creating a single, homogeneous reaction medium that dissolves both hydrogen and high-molecular-weight oils, thus overcoming the interfacial transport limitations. This review synthesizes several research to establish a unified framework for the supercritical hydrogenation of different feedstocks, including heavy oils, vegetable oils, and emerging streams like bio- and plastic-derived pyrolysis oils. The central goal of this work is to provide a deep understanding of phase behavior which is a critical aspect of the process design, directly influencing reaction rates, selectivity, and overall efficiency. By integrating principles of thermodynamics, heat and mass transfer, catalysis selection, and reactor design, this review provides applicable design metrics for developing a more suitable upgrading technology with higher space yield times for a wide spectrum of complex oils.
由于氢在液相底物中的溶解度差,传统的油催化加氢基本上受到传质阻力的限制。超临界流体(SCFs)提供了一种解决方案,它创造了一种单一的、均匀的反应介质,可以溶解氢和高分子量的油,从而克服了界面传输的限制。本文综合了几项研究,为不同原料的超临界加氢建立了统一的框架,包括重油、植物油和新兴的生物和塑料衍生的热解油。这项工作的中心目标是提供对相行为的深刻理解,这是工艺设计的一个关键方面,直接影响反应速率,选择性和整体效率。通过综合热力学、传热传质、催化剂选择和反应器设计原理,本综述为开发更适合的升级技术提供了适用的设计指标,该技术具有更高的空间产率时间,适用于广泛的复杂油。
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引用次数: 0
Evaluation of drug loading onto MCM-48 via supercritical CO2 deposition: Effects of drug type, temperature, and silica structure 通过超临界CO2沉积评价MCM-48上的药物负载:药物类型,温度和二氧化硅结构的影响
IF 4.4 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Pub Date : 2026-03-01 Epub Date: 2025-10-19 DOI: 10.1016/j.supflu.2025.106824
Yuto Asai, Ikuo Ushiki
Mesoporous silica is a promising drug delivery carrier owing to its high surface area, tunable pores, and ability to stabilize amorphous drugs. In this study, supercritical fluid deposition (SCFD) using supercritical CO2 (15 MPa) was employed to load ibuprofen and ketoprofen into MCM-48 mesoporous silica. The effects of drug type, temperature (313 K to 333 K), and silica framework were evaluated systematically. Transmission electron microscopy (TEM) and nitrogen adsorption confirmed that the three-dimensional cubic mesostructure of MCM-48 remained intact after impregnation. Fourier-transform infrared spectroscopy (FT-IR), and thermogravimetric analysis (TGA) verified the successful incorporation, with distinct thermal events indicating external and pore-confined adsorption. Ibuprofen consistently achieved higher loading than ketoprofen, driven by its greater solubility in supercritical CO2, indicating that solubility is the dominant factor over surface affinity. Temperature had only a modest influence owing to the opposing effects of decreased CO2 density and reduced competitive CO2 adsorption at higher temperatures. Compared with SBA-15, MCM-48 exhibited superior uptake across all conditions, which was attributed to its larger surface area and interconnected pore network. These results demonstrate that SCFD enables the efficient, solvent-free incorporation of active compounds while preserving mesostructural integrity, offering guidance for the design of high-performance mesoporous carriers in pharmaceutical and related applications.
介孔二氧化硅由于其高表面积、可调节的孔隙和稳定非晶药物的能力,是一种很有前途的药物递送载体。本研究采用超临界CO2(15 MPa)超临界流体沉积法(SCFD)将布洛芬和酮洛芬分别装载到MCM-48介孔二氧化硅中。系统评价了药物类型、温度(313 K ~ 333 K)和二氧化硅骨架的影响。透射电镜(TEM)和氮气吸附证实,浸渍后MCM-48的三维立方细观结构保持完整。傅里叶变换红外光谱(FT-IR)和热重分析(TGA)证实了成功的掺入,不同的热事件表明外部和孔隙限制吸附。布洛芬始终比酮洛芬获得更高的负载,这是因为它在超临界CO2中的溶解度更高,这表明溶解度是比表面亲和力更重要的因素。温度的影响不大,因为在较高温度下,二氧化碳密度降低和竞争性二氧化碳吸附减少会产生相反的影响。与SBA-15相比,MCM-48在所有条件下都表现出更好的吸收率,这归因于其更大的表面积和相互连接的孔隙网络。这些结果表明,SCFD能够在保持介孔结构完整性的同时高效、无溶剂地结合活性化合物,为制药和相关应用中高性能介孔载体的设计提供指导。
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引用次数: 0
The development of GelMA based hydrogels combined with acellular small intestinal submucosa for peripheral nerve injuries GelMA基水凝胶联合脱细胞小肠粘膜下层治疗周围神经损伤的研究
IF 4.4 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Pub Date : 2026-03-01 Epub Date: 2025-11-12 DOI: 10.1016/j.supflu.2025.106842
Zeynep Caglar , Busra Kilic , Halil Murat Aydin
Peripheral nerve injuries are a major public health concern. The slow self-regeneration of the complex structure of the peripheral nervous system significantly impacts functional recovery. For this reason, studies on nerve tissue engineering for peripheral nerve repair are critical. Here, we constructed a gelMA-based decellularized SIS hybrid construct to promote functional regeneration after peripheral nerve injury. A supercritical carbon dioxide (scCO2) decellularization protocol was developed for bovine small intestinal submucosa (SIS) decellularization. A conventional method involving the combinations of physical, chemical, and enzymatic treatments was used for evaluating the efficiency of the scCO2 technology for SIS decellularization. The efficiency of decellularization methods was evaluated using both qualitative and quantitative analyses. In this regard, it was shown that the scCO2 technology was an efficient and high-yielding method for the decellularization of SIS. Then, SIS was incubated with gelMA solutions to obtain hybrid hydrogels. FT-IR and SEM were used to prove the success of hybrid tissue scaffold synthesis as well as to investigate structural changes. The water retention capacity, degradation properties and mechanical strength of the hybrid scaffolds were investigated and compared with the acellular SIS. Lastly the ability of hybrid membranes to induce neural cell adhesion and proliferation was evaluated via in vitro cell culture of Schwann cells in terms of cell viability, proliferation and morphological changes.
周围神经损伤是一个主要的公共卫生问题。周围神经系统复杂结构的缓慢自我再生严重影响功能恢复。因此,神经组织工程修复周围神经的研究至关重要。在这里,我们构建了一个基于gelma的去细胞SIS混合结构来促进周围神经损伤后的功能再生。建立了牛小肠粘膜下层(SIS)脱细胞的超临界二氧化碳(scCO2)脱细胞方案。采用一种常规的方法,包括物理、化学和酶处理的组合,来评估scCO2技术对SIS脱细胞的效率。通过定性和定量分析对脱细胞方法的效率进行了评价。由此可见,scCO2技术是一种高效高产的SIS脱细胞方法。然后,将SIS与gelMA溶液孵育,得到混合水凝胶。利用傅里叶变换红外光谱(FT-IR)和扫描电镜(SEM)验证了杂交组织支架的成功合成,并对其结构变化进行了研究。研究了复合支架的保水性能、降解性能和机械强度,并与无细胞SIS进行了比较。最后,通过体外培养雪旺细胞,从细胞活力、增殖和形态变化等方面评价杂交膜诱导神经细胞粘附和增殖的能力。
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引用次数: 0
Silica-alumina aerogels functionalized with amino-groups for the adsorption of CO2 氨基功能化二氧化硅-氧化铝气凝胶吸附co2
IF 4.4 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Pub Date : 2026-03-01 Epub Date: 2025-11-08 DOI: 10.1016/j.supflu.2025.106835
Marta Gallo, Marco Armandi, Fabiana Mangano, Silvia Ronchetti, Mauro Banchero, Luigi Manna
To overcome climate challenges, emerging CO2 capture technologies focus on innovative solid sorbents, like aerogels. Silica aerogels, in particular, have emerged as an exceptional class of materials with unique properties even though their adsorption selectivity towards CO2, and their thermal and mechanical properties are limited. In this research, a hybrid silica-alumina aerogel has been prepared, to merge the elevated surface area typical of silica with the basic character (favorable to CO2 adsorption) and the high thermal and mechanical resistance typical of alumina. For the first time, these silica-alumina aerogels were functionalized with 3-aminopropyltriethoxysilane (APTES) amino groups through a one-pot process. This approach was chosen to directly introduce functional groups during gel formation, reducing the number of post-synthesis steps. The functionalization with amino groups aims to strengthen the interactions with CO₂ molecules via acid–base interactions, thus enhancing adsorption capacity and selectivity. Three samples with increasing APTES content as well as a reference without any functionalization were prepared and characterized in terms of physico-chemical and adsorption properties. The results of CO2 and N2 adsorption tests as well as in situ FTIR suggest that low functionalization does not confer a significant advantage in CO2 capture. Higher APTES contents, instead, lead to a significant increase in the total quantity of adsorbed CO2 and in higher selectivity over N2 (calculated according to the Ideal Adsorbed Solution Theory). Moreover, also the strength of interaction increases, since not only physisorption, but also chemisorption takes place.
为了应对气候变化的挑战,新兴的二氧化碳捕获技术集中在创新的固体吸附剂上,如气凝胶。特别是二氧化硅气凝胶,尽管其对二氧化碳的吸附选择性、热性能和机械性能有限,但它已成为一类具有独特性能的特殊材料。在本研究中,制备了一种混合二氧化硅-氧化铝气凝胶,将二氧化硅典型的高表面积与氧化铝的基本特性(有利于CO2吸附)和高热阻和机械阻相结合。首次通过一锅法将这些二氧化硅-氧化铝气凝胶与3-氨基丙基三乙氧基硅烷(APTES)基团进行了官能化。选择这种方法是为了在凝胶形成过程中直接引入官能团,减少了合成后的步骤。氨基功能化旨在通过酸碱相互作用加强与CO₂分子的相互作用,从而提高吸附能力和选择性。制备了三种APTES含量增加的样品和未官能化的参比样品,并对其理化性质和吸附性质进行了表征。CO2和N2吸附测试以及原位FTIR的结果表明,低功能化并不会赋予CO2捕获的显着优势。相反,较高的APTES含量会导致吸附CO2总量的显著增加,并且比N2具有更高的选择性(根据理想吸附溶液理论计算)。此外,相互作用的强度也增加了,因为不仅发生了物理吸附,而且发生了化学吸附。
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引用次数: 0
A mechanistic model for X65 steel corrosion in supercritical CO2 flow and phase change pipeline transportation environment X65钢在超临界CO2流动和相变管道输送环境中的腐蚀机理模型
IF 4.4 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Pub Date : 2026-03-01 Epub Date: 2025-10-29 DOI: 10.1016/j.supflu.2025.106825
Guangyu Liu , Xinxin Fan , Cailin Wang , Junwen Chen , Shengzhu Zhang , Mingzhuo Li , Qihui Hu , Yuxing Li
Phase transitions in long-distance CO2 pipelines are inevitable, yet their coupled effects on corrosion under real pipeline flow conditions remain inadequately understood. This study systematically investigates the influence of phase transition and flow velocity on the corrosion mechanisms of X65 steel in CO2 pipelines through corrosion experiments, microscopic characterization of corrosion product films, and theoretical modeling of droplet spreading and pit development. The findings reveal that flow conditions transform the dominant corrosion mode in the phase transition environment from pitting corrosion in static conditions to uniform corrosion in dynamic conditions. This shift primarily arises from variations in flow rate and CO2 density, which alter droplet size distribution on the steel surface. Most droplets become smaller than the critical radius required for downward pit propagation, leading to lateral pit expansion rather than deepening. Consequently, uniform corrosion is intensified, while pitting corrosion is mitigated. Furthermore, changes in wall shear stress and droplet dynamics during phase transitions disrupt the structural integrity of corrosion products, further exacerbating uniform corrosion.
长输二氧化碳管道中的相变是不可避免的,但在实际管道流动条件下,它们对腐蚀的耦合效应仍未得到充分的了解。本研究通过腐蚀实验、腐蚀产物膜的微观表征以及液滴扩散和坑发育的理论建模,系统研究了相变和流速对X65钢在CO2管道中的腐蚀机理的影响。研究结果表明,流动条件将相变环境中的主要腐蚀模式从静态条件下的点蚀转变为动态条件下的均匀腐蚀。这种变化主要是由于流量和CO2密度的变化,它们改变了钢表面液滴的大小分布。大多数液滴小于凹坑向下扩展所需的临界半径,导致凹坑横向扩展而不是加深。因此,均匀腐蚀加剧,而点蚀减轻。此外,相变过程中壁面剪切应力和液滴动力学的变化破坏了腐蚀产物的结构完整性,进一步加剧了均匀腐蚀。
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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 : 2026-03-01 Epub 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
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Journal of Supercritical Fluids
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