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CO2 Capture mechanism of [DBUH][Im] under humid conditions 湿润条件下[DBUH][Im]的CO2捕集机理
Pub Date : 2025-12-01 Epub Date: 2025-11-01 DOI: 10.1016/j.jil.2025.100179
Dominic Burns , Hye-Kyung Timken , Huping Luo , Evan Hatakeyama , Bong-Kyu Chang , Małgorzata Swadźba-Kwaśny , John D. Holbrey
This work reports on the CO2 absorption properties of the superbase derived protic ionic liquid (PIL) made from 1,8-diazabicyclo(5.4.0)undec‑7-ene (DBU) and imidazole (Im). The results show distinct absorption mechanisms under dry and humid conditions. Under dry conditions, CO2 capture results in formation of a carbamate with the imidazolate anion and the base IL can be regenerated at relatively low temperatures, below 100 °C. In contrast, under humid conditions, CO2 is initially absorbed forming bicarbonate, [HCO3]-, which induces solidification and inhibits CO2 desorption below ca. 95 C, however successive absorption/desorption cycles can be achieved using a temperature swing between 95 and 160 °C where the bound CO2 cycles between bicarbonate and carbonate.
本文报道了由1,8-重氮双环(5.4.0)undec - 7-ene (DBU)和咪唑(Im)制成的超碱衍生型质子离子液体(PIL)的CO2吸收性能。结果表明,在干燥和潮湿条件下,吸附机理不同。在干燥条件下,CO2捕获导致氨基甲酸酯与咪唑酸阴离子形成,碱IL可以在相对较低的温度下再生,低于100℃。相比之下,在潮湿的条件下,二氧化碳最初被吸收形成碳酸氢盐[HCO3]-,它在95℃以下诱导凝固并抑制二氧化碳的解吸,然而,在95℃至160℃之间的温度波动中,结合的二氧化碳在碳酸氢盐和碳酸盐之间循环,可以实现连续的吸收/解吸循环。
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引用次数: 0
Systematic evaluation of stearic acid -based hydrophobic deep eutectic solvents on the extraction of selected light and heavy rare earth elements from water 系统评价硬脂酸基疏水深共晶溶剂对提取水中选定的轻、重稀土元素的影响
Pub Date : 2025-12-01 Epub Date: 2025-09-13 DOI: 10.1016/j.jil.2025.100176
Laura Fronchetti Guidugli, Toufiq Reza
In this study, the extraction of representative rare earth elements from both light rare earth elements (LREE) and heavy rare earth elements (HREE) groups was evaluated. Praseodymium (Pr) and neodymium (Nd) were selected as representatives of LREE, while europium (Eu), dysprosium (Dy), and erbium (Er) represented HREE. The extraction process was carried out using hydrophobic deep eutectic solvents (HDES) composed of stearic acid as the hydrogen bond donor (HBD) and menthol, thymol, tetraoctylammonium bromide, and trioctylphosphine oxide as the hydrogen bond acceptors (HBAs). The hydrophobicity, solid-liquid equilibria (SLE), σ-surface, σ-profile and chemical bonding of the solvents were studied using Conductor-like Screening Model for Real Solvents (COSMO-RS). The analysis of the σ-surfaces and σ-potentials revealed that the HDES are predominantly composed of nonpolar regions, accompanied by smaller peaks corresponding to hydrogen bond donor and acceptor sites. Prepared HDES exhibit density ranging from 861 to 903 kg/m3 and viscosities ranging from 0.35 to 0.34 Pa.s. Finally, the study investigated the impact of hydrophobicity on the REEs extraction performance and discussed the removal mechanisms in all the different solvents. The effect of the lanthanide contradiction was also investigated. Among the various HDES developed, TOPO:stearic acid (x1 = 0.59) exhibited the best extraction efficiency with an overall removal of 72.23 ± 1.29% from 0.01 M REEs solution.
本研究对轻稀土族(LREE)和重稀土族(HREE)中代表性稀土元素的提取进行了评价。LREE以镨(Pr)和钕(Nd)为代表,HREE以铕(Eu)、镝(Dy)和铒(Er)为代表。采用硬脂酸为氢键给体(HBD),薄荷醇、百里香酚、四辛基溴化铵和氧化三辛基膦为氢键受体(HBAs)组成的疏水深共晶溶剂(HDES)进行萃取。采用类导体筛选模型(cosmos - rs)对溶剂的疏水性、固液平衡(SLE)、σ-表面、σ-剖面和化学键进行了研究。σ-表面和σ-电位分析表明,HDES主要由非极性区组成,并伴有氢键给体和受体位点对应的小峰。制备的HDES的密度为861至903 kg/m3,粘度为0.35至0.34 Pa.s。最后,研究了疏水性对稀土萃取性能的影响,并讨论了在不同溶剂中的去除机理。还研究了镧系元素矛盾的影响。其中,TOPO:硬脂酸(x1 = 0.59)对0.01 M稀土溶液的萃取效率最高,总去除率为72.23±1.29%。
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引用次数: 0
Fuel desulfurization using ionic liquids –An updated review 离子液体燃料脱硫的最新进展
Pub Date : 2025-12-01 Epub Date: 2025-06-10 DOI: 10.1016/j.jil.2025.100162
Abdurrashid Haruna , Zulkifli Merican Aljunid Merican , Ali Khatib Juma , Abdulrahman Sani Aliero , Bernard Chukwuemeka Ekeoma , Mustapha Abdullahi , Madina Imam , Safiya Abdulsalam , Sa’adatu Auwal Hamza
Environmental and human safety has become an important subject of research interest in petroleum chemistry and environmental catalysis. The presence of sulfur-containing compounds in fuel oil is an overwhelming problem in the petrochemical industries due to regulations for environmental protection. The emitted toxic gases from the combustion of fossil fuels result in air contamination that can damage the human respiratory system, cause acid rain, and negatively affect refinery equipment. Therefore, fuel desulfurization becomes necessary to remove sulfur and its derivatives from fuel oil. Recently, ionic liquids (ILs) have been identified as good candidates for many industrial applications. They are widely known for their potential as designer solvents due to fascinating properties such as low volatility, high tunability, and high thermal stability. However, their general environmental impact varies significantly depending on their specific chemical compositions with some ILs exhibiting toxicity or poor biodegradability. The present study comprehensively reviews the recent achievements and applications of ILs in fuel oil desulfurization, addressing the mechanisms of the conversion process. The practicality and reusability of ILs for fuel oil desulfurization have been reported, and finally, the conclusion and future research prospects in this exciting area have been suggested. This review is anticipated to provide insights into fuel refinement and purification technologies through the sustainable application of ILs for clean fuel generation.
环境与人类安全已成为石油化学和环境催化领域的重要研究课题。由于环境保护的规定,燃料油中含硫化合物的存在是石化行业的一个严重问题。化石燃料燃烧排放的有毒气体会导致空气污染,损害人体呼吸系统,造成酸雨,并对炼油厂设备产生负面影响。因此,为了从燃料油中去除硫及其衍生物,必须进行燃料脱硫。近年来,离子液体已被确定为许多工业应用的良好候选者。由于具有低挥发性、高可调性和高热稳定性等迷人的特性,它们作为设计溶剂的潜力广为人知。然而,它们的一般环境影响因其特定的化学成分而异,有些化学物质表现出毒性或生物降解性差。本文综述了近年来在燃油脱硫中的研究进展及其应用,并对其转化过程的机理进行了探讨。本文报道了红外光谱在燃油脱硫中的实用性和可重复使用性,并对该领域的研究前景进行了展望。本文的综述将为燃料精炼和净化技术在清洁燃料发电中的可持续应用提供新的见解。
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引用次数: 0
Ionic liquid catalysis in synthesizing pyrazoles and triazoles: Advancing efficiency and sustainability 离子液体催化合成吡唑和三唑:提高效率和可持续性
Pub Date : 2025-12-01 Epub Date: 2025-07-11 DOI: 10.1016/j.jil.2025.100166
Minakshi Minakshi , Vaishali Vaishali , Nisha Sharma , Rashmi Pundeer
Ionic liquids (ILs), also known as designer solvents, have emerged as highly significant in various areas of chemistry due to their unique properties, including low volatility, high thermal stability, and excellent solubility for a wide range of substances. These characteristics make ILs exceptional solvents and catalysts in organic synthesis, enhancing reaction rates, yields, and selectivity. This review focuses on the synthesis of pyrazoles and triazoles using ILs as catalysts, highlighting their advantages over traditional methods. ILs' ability to stabilize reactive intermediates, customize solvent properties, and operate under milder conditions contributes to greener and more sustainable chemical processes. We explore recent advancements in the synthesis of pyrazoles and triazoles, emphasizing the role of various IL types—ranging from neutral and acidic to basic and functionalized ILs—in improving reaction efficiency and environmental impact. Additionally, we discuss the broader applications of ILs in organic reactions, biological processes, and environmental protection. The review concludes with an overview of the current state of IL-catalyzed synthesis, demonstrating the benefits of ILs in facilitating efficient, safe, and sustainable chemical transformations.
离子液体(ILs),也被称为设计溶剂,由于其独特的性质,包括低挥发性,高热稳定性和对多种物质的优异溶解度,在化学的各个领域都具有重要意义。这些特性使ILs在有机合成中成为特殊的溶剂和催化剂,提高了反应速率、产率和选择性。本文综述了以苯胺为催化剂合成吡唑和三唑的研究进展,指出了它们相对于传统方法的优越性。ILs稳定反应中间体、定制溶剂性质的能力,以及在更温和的条件下工作的能力,有助于实现更环保、更可持续的化学过程。我们探讨了吡唑和三唑合成的最新进展,强调了各种IL类型(从中性和酸性到碱性和功能化IL)在提高反应效率和环境影响方面的作用。此外,我们还讨论了il在有机反应、生物过程和环境保护方面的广泛应用。综述了白介素催化合成的现状,证明了白介素在促进高效、安全和可持续的化学转化方面的益处。
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引用次数: 0
Lithium extraction using ionic liquids: Insights from quantum chemical and molecular dynamics simulations 锂提取使用离子液体:从量子化学和分子动力学模拟的见解
Pub Date : 2025-12-01 Epub Date: 2025-10-15 DOI: 10.1016/j.jil.2025.100177
Shamanth Y.U. , Palash Jyoti Boruah , Subrahmanya Bhat K. , Anoop Kishore Vatti , Srikanth Divi , Tamal Banerjee
Lithium-ion batteries (LIBs) dominate the modern energy infrastructure in scalable power storage and electric mobility. Lithium recovery is crucial for the emergence of a circular economy, and the supply of spent LIBs has increased due to their widespread usage. This work presents the comprehensive evaluation of lithium binding energies and reduced density graph analysis with ionic liquids (ILs) using density functional theory (DFT) calculations. In addition, lithium extraction mechanisms from the aqueous solution using ILs are probed using molecular dynamics (MD) simulations, revealing molecular-scale selectivity. We compared the four ionic liquids (tetra-butylammonium mono-2-ethylhexyl (2-ethylhexyl) phosphate ([N4444] [EHPMEH]), tetra-butylammonium bis(2-ethylhexyl) phosphate ([N4444][DEHP]), tetrabutylphosphonium bis(2-ethylhexyl)phosphate ([P4444] [DEHP]), and tetrabutylphosphonium dodecanoate ([P4444][C11COO]) to extract lithium. Furthermore, from these MD studies, we investigated the extraction mechanism, structural and dynamic properties, such as density analysis, trajectory density contours, and diffusion coefficients. The detailed analysis of structural properties has yielded critical insights into the interfacial interaction of lithium between the aqueous and the ionic liquid phase; the lithium-ion mobility along the different phases was analysed from computed diffusion coefficients. Our results explain the atomistic mechanism of selected ILs and the superior performance of ([N4444] [EHPMEH]) IL in comparison to the other ILs based on localized lithium in the IL phase and binding energies.
锂离子电池(LIBs)在可扩展的电力存储和电力移动方面主导着现代能源基础设施。锂的回收对循环经济的出现至关重要,由于锂的广泛使用,废旧锂的供应也有所增加。本文利用密度泛函理论(DFT)计算,对离子液体(ILs)的锂结合能进行了综合评价,并对离子液体(ILs)的降密度图进行了分析。此外,通过分子动力学(MD)模拟,研究了离子离子从水溶液中提取锂的机理,揭示了分子尺度上的选择性。我们比较了四种离子液体(单-2-乙基己基磷酸四丁铵([N4444][EHPMEH])、二(2-乙基己基)磷酸四丁铵([N4444][DEHP])、二(2-乙基己基)磷酸四丁基磷酸([P4444][DEHP])和十二酸四丁基磷酸([P4444][C11COO])萃取锂的效果。此外,通过这些MD研究,我们研究了萃取机理、结构和动力学特性,如密度分析、轨迹密度轮廓和扩散系数。对结构性质的详细分析对锂在水溶液和离子液相之间的界面相互作用产生了重要的见解;利用计算的扩散系数分析了锂离子沿不同相的迁移率。我们的研究结果解释了所选择的IL的原子机制,以及([N4444] [EHPMEH]) IL与其他基于IL相和结合能局域锂的IL相比的优越性能。
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引用次数: 0
On kinetics of leaching process and metals (Ni, Co) recovery from Ni-MH spent batteries using a deep eutectic solvent based on choline chloride 基于氯化胆碱的深度共晶溶剂浸出过程动力学及从镍氢废电池中回收金属(Ni, Co)的研究
Pub Date : 2025-12-01 Epub Date: 2025-07-30 DOI: 10.1016/j.jil.2025.100171
Kiem Do Van , Van Anh Tao Thi , Jose Pons Herrera , Tu Le Manh
Deep eutectic solvents (DESs) based on choline chloride have been demonstrated to be effective as a leaching agent by their capability of dissolving metal oxides. However, the low solubility and slow kinetics of the DESs hinder their application in the extraction of metals from different sources. In this paper, two approaches for the recovery of cobalt (Co) and nickel-cobalt (Ni-Co) alloys from Nickel–Metal Hydride (Ni-MH) spent batteries using the DES as a leaching agent have been studied. From Ultraviolet–visible spectroscopy (UV–Vis), Cyclic Voltammetry (CV), and Inductively Coupled Plasma–Optical Emission Spectroscopy (ICP-OES) measurements, a faster approach to selectively extract cobalt from the eutectic mixture has been proven. Electrochemical behavior and electrodeposition of Ni and Co metals from the cathodic powder of spent Ni-MH batteries dissolved in the DES solution have also been performed by electrochemical techniques such as CV and chronoamperometry (CA). Results from electrochemical techniques have verified the extractability of Ni and Co from DES liquor. Voltametric traces also offered a simple way to determine qualitatively and quantitatively the concentration of metallic ions dissolved in the DES. By analyzing the potentiostatic current density transients recorded from the DES liquor, it was possible to explain the mechanisms and kinetics of formation of the recovered materials on the glassy carbon electrode surface using a model composed of a 3D nucleation and diffusion-controlled growth of bimetallic nuclei on the growing surfaces. Scanning Electron Microscopy (SEM) images of the glassy carbon electrode (GCE), after the potentiostatic electrodeposition, showed evidence of the formation of Ni and Co nuclei distributed all over the substrate surface. Meanwhile, Energy Dispersive X-ray Spectroscopy (EDX) and X-ray Diffraction (XRD) analyses confirmed the successful recovery of Co and Ni-Co alloys separately using electrochemical means.
基于氯化胆碱的深度共晶溶剂(DESs)具有溶解金属氧化物的能力,是一种有效的浸出剂。然而,DESs的低溶解度和慢动力学阻碍了其在不同来源金属提取中的应用。本文研究了用DES作为浸出剂从镍氢(Ni-MH)废电池中回收钴(Co)和镍钴(Ni-Co)合金的两种方法。通过紫外可见光谱(UV-Vis)、循环伏安法(CV)和电感耦合等离子体光学发射光谱(ICP-OES)测量,证明了一种更快的方法可以选择性地从共晶混合物中提取钴。利用CV和CA等电化学技术研究了废镍氢电池阴极粉末中Ni和Co金属在DES溶液中的电化学行为和电沉积。电化学实验结果验证了DES液中镍和钴的可萃取性。伏安痕迹也提供了一种简单的方法来定性和定量地确定溶解在DES中的金属离子的浓度。通过分析从DES液中记录的恒电位电流密度瞬态,可以使用由生长表面上的双金属核的三维成核和扩散控制生长组成的模型来解释玻璃碳电极表面上回收材料的形成机制和动力学。在恒电位电沉积后,玻璃碳电极(GCE)的扫描电镜(SEM)图像显示,在衬底表面形成了分布在整个表面的Ni和Co核。同时,能量色散x射线能谱(EDX)和x射线衍射(XRD)分析证实,利用电化学手段分别成功回收了Co和Ni-Co合金。
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引用次数: 0
Parametric study of Martian regolith steel using ionic liquids iron and Bosch byproduct carbon for laser powder bed fusion 离子液体铁和博世副产物碳用于激光粉末床熔合的火星风化层钢参数化研究
Pub Date : 2025-12-01 Epub Date: 2025-08-24 DOI: 10.1016/j.jil.2025.100174
Blake C. Stewart , Mary Mederos , Shiraz Mujahid , Dawn Van Iderstine , Jennifer E. Edmunson , Jeffrey J. Mehan , Kagen R. Crawford , Paul E. Hintze , Christopher R. Henry , Eric T. Fox , Jennifer M. Jones , Curtis W. Hill , Steven Burlingame , Morgan B. Abney , Hongjoo Rhee
<div><div>With the anticipated manned missions and future long-term habitation of the Martian surface, <em>in-situ</em> resource utilization (ISRU) methods remain critical to provide raw materials and subsequent manufacturing of tools, replacement components, electronics, and more. Due to the overwhelming costs and flight time associated with launching supplies to extraterrestrial bodies, the sustainability of these astronaut colonies will rely on readily available feedstocks and energy-efficient production methods on the surface. The Martian environment contains numerous elements, mostly in the form of compounds within the regolith and local atmosphere, that could be used for producing metallic components. Ionic liquids (ILs) have been demonstrated as a low-temperature regolith and meteorite metal harvesting system by NASA’s Marshall Space Flight Center (MSFC). Additionally, the Bosch process has shown success as an oxygen (O<sub>2</sub>) generation system possessing theoretical 100 % hydrogen (H<sub>2</sub>) recovery, producing a solid carbon (C) byproduct. Studies on the use of IL-metals and Bosch C in ferrous castings have been conducted in recent years with immense success. This study further investigates an alloy composition based on IL harvested iron (IL-Fe) and Bosch C to produce a novel IL-steel alloy for additive manufacturing (AM) by combining the products of IL’s and Bosch C into a printable steel composition. The IL-steel powder was produced using commercially available elements and the addition of Bosch C from the rotary kiln C-formation reactor (C-FR) at MSFC’s Environmental Controls and Life Support Systems (ECLSS) branch. Raw materials were alloyed into steel ingots and atomized to a targeted powder size distribution of 15-45 μm. A series of progressively refined build parameters (laser power and exposure time) were used to produce cubic samples that were investigated to determine baseline laser powder bed fusion (PBF-LB) settings for printing with IL-steel. Bulk density was used as the initial filtering mechanisms, with Vickers microhardness and microstructural investigations being conducted on the final matrix of samples. Moving forward, IL and Bosch C production will need further refinement to limit elements that could negatively affect printed products, and production volumes will need to be increased beyond laboratory scales. Future investigations with IL-Steel will require characterization of the powder’s flowability, laser interaction, and printability in reduced gravity and extraterrestrial atmospheric conditions. Additionally, further mechanical characterization, i.e. tension, fatigue, etc., will be required to determine the potential use cases of IL-Steel on Mars and solidify its applicability. The results indicated that the alloying of IL-Fe and Bosch C to create an IL-steel could serve as a viable means of producing a multitude of components and tools, such as rebar for concrete reinforcement, replacement gears, hand
随着预期的载人任务和未来火星表面的长期居住,原位资源利用(ISRU)方法对于提供原材料和后续工具、替换部件、电子设备等的制造仍然至关重要。由于向地外天体发射物资的成本和飞行时间巨大,这些宇航员殖民地的可持续性将依赖于地面上现成的原料和节能的生产方法。火星环境中含有许多元素,其中大部分以风化层和当地大气中的化合物形式存在,这些元素可用于制造金属成分。美国宇航局马歇尔太空飞行中心(MSFC)已经证明离子液体(ILs)是一种低温风化层和陨石金属收集系统。此外,博世工艺作为一个氧气(O2)生成系统已经取得了成功,理论上具有100%的氢气(H2)回收率,产生固体碳(C)副产品。近年来,在黑色金属铸件中使用il金属和Bosch C的研究取得了巨大的成功。本研究进一步研究了一种基于IL收获铁(IL- fe)和Bosch C的合金成分,通过将IL和Bosch C的产品组合成可打印的钢成分,生产出一种用于增材制造(AM)的新型IL钢合金。il -钢粉是用市售元素和从MSFC环境控制和生命支持系统(ECLSS)分部的回转窑C-形成反应器(C- fr)中添加的博世C生产的。将原料合金化成钢锭,雾化成15 ~ 45 μm的目标粉末粒度分布。使用一系列逐步细化的构建参数(激光功率和曝光时间)来生产立方体样品,并对其进行研究,以确定用于il -钢打印的基线激光粉末床熔融(PBF-LB)设置。采用堆积密度作为初始过滤机制,并对样品的最终基体进行维氏显微硬度和显微组织研究。展望未来,IL和Bosch C的生产将需要进一步改进,以限制可能对印刷产品产生负面影响的元素,并且产量需要增加到实验室规模之外。未来对IL-Steel的研究将需要表征粉末的流动性、激光相互作用以及在失重和地外大气条件下的可打印性。此外,还需要进一步的力学特性,如张力、疲劳等,以确定IL-Steel在火星上的潜在用例,并巩固其适用性。结果表明,将IL-Fe和Bosch C合金化以制造il -钢可以作为生产多种部件和工具的可行手段,例如用于混凝土加固的钢筋,替换齿轮,手动工具,以及用于火星长期载人任务的更多现场。
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引用次数: 0
Spinning of wheat straw-based pulp into cellulosic multifilaments by 1-Ethyl-3-methylimidazolium octanoate as direct solvent 以1-乙基-3-甲基咪唑辛酸酯为直接溶剂纺制麦秸浆纤维素多丝
Pub Date : 2025-12-01 Epub Date: 2025-10-11 DOI: 10.1016/j.jil.2025.100178
Antje Ota , Marc P. Vocht , Ronald Beyer , André van Zomeren , Ilona van Zandvoort , Jaap W. van Hal , Frank Hermanutz
The demand for man-made cellulosic fibers is rapidly increasing; however, these fibers are mainly based on wood dissolving pulp. Faster growing crops, such as agricultural residues and annual fast-growing plants (i.e. hemp), are attractive alternative raw materials as well.e report on the use of wheat straw pulp (WS) for the spinning of continuous man-made cellulosic fibers based on an ionic liquid spinning technology. Filaments were produced from bleached and unbleached WS pulp that were obtained by an acetone based organosolv fractionation Commercial dissolving pulp based on hardwood (HW) was used as reference pulp Continuous filaments were spun using a novel dry-jet wet spinning (HighPerCell® process) technique, which is based on the use of 1-ethyl-3-methylimidazolium octanoate ( [C2C1im] [Oc]) as a solvent. Via this approach, continuous multifilament filaments were spun in textile and technical quality filament yarns. Elongation at break up to 9 % and tenacities of 35 cN/tex were obtained for the WS filaments. The novel approach also allows the preparation of low wet fibrillating cellulosic filaments appropriate for textile applications. It should be emphasized that only recycled IL was used in the production of the filaments and sustainable pulping technology.
对人造纤维素纤维的需求正在迅速增加;然而,这些纤维主要是基于木材溶解纸浆。生长更快的作物,如农业残留物和一年生快速生长的植物(如大麻),也是有吸引力的替代原料。利用麦草浆(WS)纺制基于离子液体纺丝技术的连续人造纤维素纤维。用丙酮基有机溶剂分馏得到的漂白和未漂白的WS纸浆生产长丝,以硬木(HW)为基准纸浆,采用新型干喷湿纺丝(HighPerCell®工艺)技术,以1-乙基-3-甲基咪唑辛酸盐([C2C1im] [Oc])为溶剂纺连续长丝。用该方法纺出了连续多丝长丝和高技术质量长丝。拉伸伸长率达9%,拉伸强度达35 cN/tex。这种新方法还允许制备适合纺织应用的低湿纤化纤维长丝。应该强调的是,在长丝的生产和可持续制浆技术中只使用了回收的IL。
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引用次数: 0
A comparative spectroscopic and computational insight on the interaction of short and long chain pyrrolidinium based ionic liquids with bovine serum albumin 短链和长链吡咯烷基离子液体与牛血清白蛋白相互作用的比较光谱和计算见解
Pub Date : 2025-12-01 Epub Date: 2025-07-15 DOI: 10.1016/j.jil.2025.100167
Aashima Anand, Juhi Saraswat, Rajan Patel
In this study, bovine serum albumin (BSA), a model transport protein, is shown to interact with two pyrrolidinium based ionic liquids (ILs), namely, 1-hexyl-1-methyl pyrrolidinium bromide [PyrC6]Brand 1-dodecyl-1-methyl pyrrolidinium bromide [PyrC12]Br. The various spectroscopic techniques explored in the analysis are UV–visible spectroscopy, steady state fluorescence spectroscopy, synchronous fluorescence spectroscopy, 3-Dimensional emission spectroscopy, time resolved fluorescence spectroscopy, steady state fluorescence anisotropy, site marker experiment, circular dichroism, along with molecular docking as the computational investigative studies. The results from UV–vis spectroscopy suggest the presence of static quenching in case of both the ILs with BSA which was further confirmed by fluorescence as well as time-resolved fluorescence spectroscopic results. Moreover, UV–vis spectroscopic studies were used for calculating the binding constants (Ka) at 298 K and 308 K for BSA’s interaction with both ILs. The thermodynamic parameters, such as ΔG, ΔH and ΔS, were calculated using Ka. Also, Stern Volmer constants (Ksv) for both the ILs were calculated. The higher value of the binding constant was observed when BSA interacted with the long alkyl-chained IL. CD spectroscopy results suggested the stabilization of the secondary structures in presence of both the ILs but more enhanced in case of the long chain IL. The site marker experiment indicated towards the involvement of Site I in the interaction of both the ILs with BSA. This was supported by molecular docking, where a higher value of binding energy was obtained for BSA- [PyrC12]Br interaction. Overall, the study could provide structural insights into future studies on using ILs as therapeutic agents.
在这项研究中,牛血清白蛋白(BSA)是一种模型运输蛋白,被证明与两种吡咯烷基离子液体(il)相互作用,即1-己基-1-甲基吡咯烷鎓溴化[PyrC6]Br−和1-十二基-1-甲基吡咯烷鎓溴化[PyrC12]Br−。在分析中探索的各种光谱技术有紫外可见光谱、稳态荧光光谱、同步荧光光谱、三维发射光谱、时间分辨荧光光谱、稳态荧光各向异性、位点标记实验、圆二色性以及分子对接作为计算研究。紫外-可见光谱结果表明,含BSA的il均存在静态猝灭,荧光和时间分辨荧光光谱结果进一步证实了这一点。此外,利用紫外-可见光谱研究计算了BSA与两种il在298 K和308 K时的结合常数Ka。利用Ka计算了热力学参数ΔG、ΔH和ΔS。同时,计算了两种il的Stern Volmer常数(Ksv)。CD谱分析结果表明,在两种IL的作用下,二级结构的稳定性都有所提高,而在长链IL的作用下,二级结构的稳定性更强。位点标记实验表明,位点I参与了两种IL与BSA的相互作用。这得到了分子对接的支持,其中BSA- [PyrC12]Br−相互作用获得了更高的结合能值。总的来说,该研究可以为未来使用il作为治疗剂的研究提供结构性见解。
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引用次数: 0
Enhanced stability and optical performance of MAPbI3 perovskite films through B4PBF4 ionic liquid integration: A route to durable photovoltaics 通过B4PBF4离子液体集成增强MAPbI3钙钛矿薄膜的稳定性和光学性能:一条通向持久光伏的途径
Pub Date : 2025-12-01 Epub Date: 2025-07-07 DOI: 10.1016/j.jil.2025.100163
Edgar González-Juárez , Ana I. Santiago-Mustafat , Miguel A. Amado-Briseño , Daniel A. Acuña-Leal , Eduardo M. Sánchez-Cervantes , Arián Espinosa- Roa
An ionic liquid (B4PBF4) was synthesized and characterized using spectroscopic techniques, incorporating it in different proportions (0.25, 0.5, and 1.5 % w/w) into thin perovskite films. The results show that 1.5 % concentration significantly improves the optical properties by minimizing trap states and preventing charge recombination. XPS analysis indicates a strong interaction between the ionic liquid and lead halides at this proportion. Additionally, photovoltaic devices fabricated with this percentage achieved higher efficiency. In terms of stability, the 1.5 % also prevented water absorption on the surface, delaying film degradation up to 500 h.
合成了一种离子液体(b4pb4),并利用光谱技术对其进行了表征,将其以不同的比例(0.25、0.5和1.5% w/w)掺入钙钛矿薄膜中。结果表明,当浓度为1.5%时,通过减少陷阱态和防止电荷复合,显著改善了光学性能。XPS分析表明,离子液体与卤化铅在此比例下具有很强的相互作用。此外,用这个百分比制造的光伏器件实现了更高的效率。在稳定性方面,1.5%也阻止了表面的吸水,将膜降解延迟了500小时。
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引用次数: 0
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Journal of Ionic Liquids
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