Journal of Ionic Liquids最新文献

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High ionic conductivity for ionic and poly ionic liquids based on 1-(hydroxyethyl)-3-vinylimidazolium cation: Asymmetric acidic anion contribution of hydrogen sulfate and dihydrogen phosphate 基于1-(羟乙基)-3-乙烯基咪唑阳离子的离子和聚离子液体的高离子导电性:硫酸氢和磷酸二氢的不对称酸性阴离子贡献
Journal of Ionic Liquids Pub Date : 2025-09-01 DOI: 10.1016/j.jil.2025.100175
Hadjer Guettaf , Yassine Chaker , El Habib Belarbi , Mansour Debdab , Taqiyeddine Moumene , Abdelkader Benabdellah , Serge Bresson
{"title":"High ionic conductivity for ionic and poly ionic liquids based on 1-(hydroxyethyl)-3-vinylimidazolium cation: Asymmetric acidic anion contribution of hydrogen sulfate and dihydrogen phosphate","authors":"Hadjer Guettaf ,&nbsp;Yassine Chaker ,&nbsp;El Habib Belarbi ,&nbsp;Mansour Debdab ,&nbsp;Taqiyeddine Moumene ,&nbsp;Abdelkader Benabdellah ,&nbsp;Serge Bresson","doi":"10.1016/j.jil.2025.100175","DOIUrl":"10.1016/j.jil.2025.100175","url":null,"abstract":"<div><div>The outstanding characteristics of ionic liquids (ILs), combined with the mechanical stability of polymeric systems, give rise to a novel class of materials known as polymeric ionic liquids (PILs) with transformative potential applications. The study aimed to investigate the influence of asymmetric acidic anions on the ionic conductivity of monomeric ionic liquid MILs and PILs. Therefore, an anion exchange reaction was carried out on 1-hydroxyethyl-3-vinylimidazolium chloride [EtOHVIM]Cl, resulting in the formation of 1-hydroxyethyl-3-vinylimidazolium hydrogen sulfate [EtOHVIM][HSO<sub>4</sub>]. Since a previous investigations highlighted the intriguing characteristics of dihydrogen phosphate anion, an additional anion exchange reaction was performed on Poly(1-hydroxyethyl-3-vinylimidazolium) chloride [P-EtOHVIM]Cl, which gave rise to the formation of Poly(1-hydroxyethyl-3-vinylimidazolium) dihydrogen phosphate [P-EtOHVIM][H<sub>2</sub>PO<sub>4</sub>], resulting in the formation of Poly (1-hydroxyethyl-3-vinylimidazolium) dihydrogen phosphate [P-EtOHVIM][H<sub>2</sub>PO<sub>4</sub>]. The molecular structures were confirmed using <sup>1</sup>H NMR, <sup>13</sup>C NMR, and Infrared (ATR/FTIR) spectroscopy. The obtained ionic liquids were analysed using Differential Scanning Calorimetry (DSC), Thermogravimetric Analysis (TGA), and Derivative Thermogravimetry (DTG). The findings revealed that these compounds have intriguing thermal properties, including a low glass transition temperature and good thermal stability. Furthermore, Broadband Dielectric Spectroscopy (BDS) analysis and thermal characterisations were combined to unravel the interplay between charge transport and glassy dynamics.</div></div>","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 2","pages":"Article 100175"},"PeriodicalIF":0.0,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145048566","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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
Journal of Ionic Liquids Pub 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
{"title":"Parametric study of Martian regolith steel using ionic liquids iron and Bosch byproduct carbon for laser powder bed fusion","authors":"Blake C. Stewart ,&nbsp;Mary Mederos ,&nbsp;Shiraz Mujahid ,&nbsp;Dawn Van Iderstine ,&nbsp;Jennifer E. Edmunson ,&nbsp;Jeffrey J. Mehan ,&nbsp;Kagen R. Crawford ,&nbsp;Paul E. Hintze ,&nbsp;Christopher R. Henry ,&nbsp;Eric T. Fox ,&nbsp;Jennifer M. Jones ,&nbsp;Curtis W. Hill ,&nbsp;Steven Burlingame ,&nbsp;Morgan B. Abney ,&nbsp;Hongjoo Rhee","doi":"10.1016/j.jil.2025.100174","DOIUrl":"10.1016/j.jil.2025.100174","url":null,"abstract":"&lt;div&gt;&lt;div&gt;With the anticipated manned missions and future long-term habitation of the Martian surface, &lt;em&gt;in-situ&lt;/em&gt; 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&lt;sub&gt;2&lt;/sub&gt;) generation system possessing theoretical 100 % hydrogen (H&lt;sub&gt;2&lt;/sub&gt;) 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 ","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 2","pages":"Article 100174"},"PeriodicalIF":0.0,"publicationDate":"2025-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144917016","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Hexagonal network cat paw-inspired iongel composites improve tribological properties 六方网络猫爪启发离子凝胶复合材料改善摩擦学性能
Journal of Ionic Liquids Pub Date : 2025-08-18 DOI: 10.1016/j.jil.2025.100173
Khan Rajib Hossain , Xinle Yao , M. Abdul Jalil , Xiaolong Wang
{"title":"Hexagonal network cat paw-inspired iongel composites improve tribological properties","authors":"Khan Rajib Hossain ,&nbsp;Xinle Yao ,&nbsp;M. Abdul Jalil ,&nbsp;Xiaolong Wang","doi":"10.1016/j.jil.2025.100173","DOIUrl":"10.1016/j.jil.2025.100173","url":null,"abstract":"<div><div>Biomimetic surfaces, inspired by nature, are gaining popularity due to their promising technological applications. Traditional microfabrication techniques face difficulties due to the intricacy of hexagonal microstructures. We successfully developed a bioinspired surface pattern resembling cat paws using innovative 3D laser lithography. Our composite material, 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, inspired by the natural architecture of cat paws with their passive capability for biomechanical damping, enables increased dissipation and tribological performance. The iongel surface shows shape memory, resistance to creep properties, stiffness controllability, and self-lubricating behavior under dynamic loading conditions. Mechanical testing demonstrates reduced hysteresis behavior and an increase in energy absorption on PU surfaces with an average friction reduction of ∼9.8 % ± 1.2 %, using the same test conditions (n=3). We clarify the multiscale deformation mechanisms using an in-depth investigation, including finite element simulations. These methods greatly improve the material's tribological performance and show that hydrogel-like networks of fibers and membranes hold the matrix together. These composite materials have great potential for use in sports safety equipment and various engineering domains because of their flexible and soft hexagonal network structure, representing cat paws.</div></div>","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 2","pages":"Article 100173"},"PeriodicalIF":0.0,"publicationDate":"2025-08-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144879310","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Evaluation of novel binary imidazolium ionic liquid-based WO3/MgO nanocomposite for light-to-thermal energy conversion and storage- a preliminary study 新型二元咪唑离子液体WO3/MgO纳米复合材料光热转换与存储的初步研究
Journal of Ionic Liquids Pub Date : 2025-08-12 DOI: 10.1016/j.jil.2025.100172
Mumtahina Mim , Khairul Habib , Sazratul Nayeem Farabi , Md Abu Zaed , R. Saidur
{"title":"Evaluation of novel binary imidazolium ionic liquid-based WO3/MgO nanocomposite for light-to-thermal energy conversion and storage- a preliminary study","authors":"Mumtahina Mim ,&nbsp;Khairul Habib ,&nbsp;Sazratul Nayeem Farabi ,&nbsp;Md Abu Zaed ,&nbsp;R. Saidur","doi":"10.1016/j.jil.2025.100172","DOIUrl":"10.1016/j.jil.2025.100172","url":null,"abstract":"<div><div>Ionic liquids are gaining attention for their potential in thermal energy storage due to their unique properties e.g. thermal and chemical stability, tunability, low volatility, and environmental friendliness. Ionic liquid-based nanocomposites have been a popular choice for batteries and supercapacitors and have been utilized as heat transfer fluids; however, no studies have been done with these nanomaterials in light-to-thermal energy applications. This research developed a novel binary imidazolium ionic liquid-based WO<sub>3</sub>/MgO nanocomposite and further studied its suitability in light-to-thermal energy conversion systems. The nanocomposite was integrated into 0.2 wt%, 0.4 wt%, and 0.6 wt% concentrations with RT-54 to evaluate the thermophysical properties of the PCMs. A massive rise in optical absorptivity (233.33%) and enhanced thermal conductivity (20.81%) has been achieved. At the same time, the system exhibits thermal stability and excellent thermal reliability, where 0.6 wt% had the most thermal reliability and 0.4 wt% had the highest storage enhancements. With the proven well-rounded properties in our study, this genre of new materials will open new doors for future research in energy storage devices.</div></div>","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 2","pages":"Article 100172"},"PeriodicalIF":0.0,"publicationDate":"2025-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144860806","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Homogeneous asymmetric Diels-Alder reaction using copper(II) porphyrin-DNA complexes as asymmetric catalysts in ionic liquid solutions 离子液体溶液中以铜(II)卟啉- dna络合物为不对称催化剂的均相不对称Diels-Alder反应
Journal of Ionic Liquids Pub Date : 2025-07-30 DOI: 10.1016/j.jil.2025.100169
Kaoru Nobuoka , Kensuke Sumi , Satoshi Kitaoka
{"title":"Homogeneous asymmetric Diels-Alder reaction using copper(II) porphyrin-DNA complexes as asymmetric catalysts in ionic liquid solutions","authors":"Kaoru Nobuoka ,&nbsp;Kensuke Sumi ,&nbsp;Satoshi Kitaoka","doi":"10.1016/j.jil.2025.100169","DOIUrl":"10.1016/j.jil.2025.100169","url":null,"abstract":"<div><div>Taking advantage of the excellent dissolution ability of ionic liquids, which can also dissolve DNA and hydrophobic compounds, we investigated the homogeneous asymmetric Diels-Alder reaction using DNA, a natural chiral source, and porphyrin copper(II) complexes as asymmetric catalysts in ionic liquid solutions. In [N<sub>4444</sub>][Gly], the reaction substrates were phase-separated, and the reaction mixture gelled or solidified at low temperatures, resulting in ineffective asymmetric catalysis. However, the reaction proceeded in a homogeneous system in 75 % [N<sub>1223</sub>][N(CN)<sub>2</sub>], which is not possible in water alone, and high yield, diastereoselectivity, and enantioselectivity were obtained at -20 °C. The utilization of ionic liquids as solvents would not only enable homogeneous reactions, but also reactions at low temperatures, and would be a powerful tool for high stereoselectivity in DNA-organometallic-catalyzed asymmetric reactions.</div></div>","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 2","pages":"Article 100169"},"PeriodicalIF":0.0,"publicationDate":"2025-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144772438","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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
Journal of Ionic Liquids Pub Date : 2025-07-30 DOI: 10.1016/j.jil.2025.100171
Kiem Do Van , Van Anh Tao Thi , Jose Pons Herrera , Tu Le Manh
{"title":"On kinetics of leaching process and metals (Ni, Co) recovery from Ni-MH spent batteries using a deep eutectic solvent based on choline chloride","authors":"Kiem Do Van ,&nbsp;Van Anh Tao Thi ,&nbsp;Jose Pons Herrera ,&nbsp;Tu Le Manh","doi":"10.1016/j.jil.2025.100171","DOIUrl":"10.1016/j.jil.2025.100171","url":null,"abstract":"<div><div>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.</div></div>","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 2","pages":"Article 100171"},"PeriodicalIF":0.0,"publicationDate":"2025-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144756968","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
From building blocks to innovations: a critical review of amino acid-based ionic liquids versus conventional ionic liquids 从构建模块到创新:氨基酸基离子液体与传统离子液体的关键审查
Journal of Ionic Liquids Pub Date : 2025-07-29 DOI: 10.1016/j.jil.2025.100170
Monisha V, Revathi Raghunath , Anisha Guha , Sunaina Sunil, Harshana Gurumoorthy, Sunita Rajamani
{"title":"From building blocks to innovations: a critical review of amino acid-based ionic liquids versus conventional ionic liquids","authors":"Monisha V,&nbsp;Revathi Raghunath ,&nbsp;Anisha Guha ,&nbsp;Sunaina Sunil,&nbsp;Harshana Gurumoorthy,&nbsp;Sunita Rajamani","doi":"10.1016/j.jil.2025.100170","DOIUrl":"10.1016/j.jil.2025.100170","url":null,"abstract":"<div><div>With the growing environmental concerns, numerous studies on the synthesis and application of ionic liquids (ILs) have been carried out. Researchers have investigated a trend in the development of ILs from natural renewable resources such as amino acids, also called amino acids-based ILs (AAILs). Unlike hazardous chemical solvents, AAILs are considered to obey the principles of green chemistry. This review compares the applications of AAILs with conventional ILs and covers the critical aspects. The first objective is to present an in-depth analysis of distinct synthetic methodologies tailored for the development of AAILs. The advantages and disadvantages of the various synthetic approaches are detailed. The second objective of this minireview also focuses on the ecotoxicity data and biodegradation data. The third objective of this minireview is to list AAILs for the extraction of metal ions, and AAILs as catalysts or solvents in organic transformation reactions in the recent five years. The last objective includes AAILs as anti-corrosion inhibitors, which is a useful aspect when the applications of AAILs are upscaled. All these objectives are compared with the conventional ILs where possible.</div></div>","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 2","pages":"Article 100170"},"PeriodicalIF":0.0,"publicationDate":"2025-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144867236","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Quantifying green innovation: A bibliometric analysis of deep eutectic solvents and applications as eco-friendly solvents 量化绿色创新:深共晶溶剂的文献计量学分析及其作为环保溶剂的应用
Journal of Ionic Liquids Pub Date : 2025-07-18 DOI: 10.1016/j.jil.2025.100165
Muhammad Nawaz , Muhammad Irfan , Khadija Zahra , Humbul Suleman , Mohamad Azmi Bustam , Abdulhalim Shah Maulud
{"title":"Quantifying green innovation: A bibliometric analysis of deep eutectic solvents and applications as eco-friendly solvents","authors":"Muhammad Nawaz ,&nbsp;Muhammad Irfan ,&nbsp;Khadija Zahra ,&nbsp;Humbul Suleman ,&nbsp;Mohamad Azmi Bustam ,&nbsp;Abdulhalim Shah Maulud","doi":"10.1016/j.jil.2025.100165","DOIUrl":"10.1016/j.jil.2025.100165","url":null,"abstract":"<div><div>Deep eutectic solvents (DESs) have emerged as a promising class of green solvents, with various advantages over traditional organic solvents and ionic liquids. This study presents a comprehensive bibliometric analysis of research trends and developments in applying DES as eco-friendly solvents. Using data from the Web of Science database, 2,262 research articles were analyzed from 2009 to 2023. The analysis reveals a significant increase in DES-related publications, growing from fewer than 20 articles per year in 2011 to more than 500 articles annually by 2023, reflecting the rising interest in this green chemistry field. Geographical and institutional distribution was assessed using a novel performance metric, the Research Impact Score (RIS), which integrated total publications, citations, citations per publication, and h-index. China is the leading contributor, with 863 publications and 28,944 citations with RIS of 0.86. Mjalli, Farouq S., from Sultan Qaboos University, Oman, leads in total publications (38) and total citations (3,166) with an outstanding RIS of 0.91. Universiti Malaya, Malaysia, emerges as the most balanced and impactful institution with a high publication output (49), the highest total citations (3,741), and a leading RIS of 0.98. \"Journal of Molecular Liquids\" emerged as the most active publishing source related to DES research, with 205 articles. Moreover, DESs demonstrated superior extraction efficiency, particularly in bioactive compounds such as phenolics and flavonoids. These findings underscore the innovative potential of DESs in advancing sustainable chemical practices and providing valuable insights into future research directions, aiming to further develop and apply DESs across various scientific and industrial fields.</div></div>","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 2","pages":"Article 100165"},"PeriodicalIF":0.0,"publicationDate":"2025-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144724533","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Targeting poor solubility of docetaxel: Computational screening of ionic liquids using COSMO-RS 针对多西紫杉醇溶解度差的离子液体:COSMO-RS计算筛选
Journal of Ionic Liquids Pub Date : 2025-07-17 DOI: 10.1016/j.jil.2025.100168
Najihah Mohd Noor , Amal A.M. Elgharbawy , Huma Warsi Khan , Yumi Zuhanis Has-Yun Hashim , Muhammad Moniruzzaman , Mohd Firdaus Abd. Wahab , Hamzah Mohd Salleh , Siti Nur Idayu Matusin
{"title":"Targeting poor solubility of docetaxel: Computational screening of ionic liquids using COSMO-RS","authors":"Najihah Mohd Noor ,&nbsp;Amal A.M. Elgharbawy ,&nbsp;Huma Warsi Khan ,&nbsp;Yumi Zuhanis Has-Yun Hashim ,&nbsp;Muhammad Moniruzzaman ,&nbsp;Mohd Firdaus Abd. Wahab ,&nbsp;Hamzah Mohd Salleh ,&nbsp;Siti Nur Idayu Matusin","doi":"10.1016/j.jil.2025.100168","DOIUrl":"10.1016/j.jil.2025.100168","url":null,"abstract":"<div><div>Docetaxel (DTX), a chemotherapeutic agent widely used in cancer treatment, has limited therapeutic efficacy owing to its poor oral absorption and low bioavailability. This study aims to improve DTX solubility by predicting its compatibility with ionic liquids (ILs) using conductor-like screening model for real solvents (COSMO-RS) computational modelling. A library of 340 ILs comprising 17 cations and 20 anions was screened for their potential to dissolve DTX, with a particular focus on imidazolium-based ILs that enhance its solubility and pertinence to cytotoxic applications. Computational analysis identifies ILs containing cations such as 1-methylimidazolium [MIM] and 1,3-dimethylimidazolium [DMIM] and anions such as [CH<sub>3</sub>COO<sup>–</sup>], [Br<sup>–</sup>], and [Cl<sup>–</sup>], which have high solubility potential for DTX. Parameters such as the activity coefficient, solubility, capacity, selectivity, and performance index were evaluated. The <span><math><mi>σ</mi></math></span>-profile of DTX shows a predominantly nonpolar surface with limited hydrogen bond acceptor regions, indicating that its solubility in ILs is primarily driven by nonpolar (dispersion) interactions, with minor contributions from hydrogen bonding. Although these findings identify several promising IL candidates for improving the solubility of DTX, experimental validation is essential to confirm these computational predictions and assess the suitability of selected ILs in pharmaceutical formulations. This study demonstrates the value of COSMO-RS as a predictive tool for pharmaceutical formulation design and provides a pathway to enhance drug delivery for chemotherapeutics with poor solubility.</div></div>","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 2","pages":"Article 100168"},"PeriodicalIF":0.0,"publicationDate":"2025-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144711396","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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
Journal of Ionic Liquids Pub Date : 2025-07-15 DOI: 10.1016/j.jil.2025.100167
Aashima Anand, Juhi Saraswat, Rajan Patel
{"title":"A comparative spectroscopic and computational insight on the interaction of short and long chain pyrrolidinium based ionic liquids with bovine serum albumin","authors":"Aashima Anand,&nbsp;Juhi Saraswat,&nbsp;Rajan Patel","doi":"10.1016/j.jil.2025.100167","DOIUrl":"10.1016/j.jil.2025.100167","url":null,"abstract":"<div><div>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 <span><math><mrow><mrow><mo>[</mo><mrow><mtext>Pyr</mtext><msub><mi>C</mi><mn>6</mn></msub></mrow><mo>]</mo></mrow><mi>B</mi><msup><mrow><mi>r</mi></mrow><mo>−</mo></msup></mrow></math></span>and 1-dodecyl-1-methyl pyrrolidinium bromide <span><math><mrow><mspace></mspace><mrow><mo>[</mo><mrow><mtext>Pyr</mtext><msub><mi>C</mi><mn>12</mn></msub></mrow><mo>]</mo></mrow><mi>B</mi><msup><mrow><mi>r</mi></mrow><mo>−</mo></msup></mrow></math></span>. 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 (<span><math><mrow><msub><mi>K</mi><mi>a</mi></msub><mrow><mo>)</mo><mspace></mspace></mrow></mrow></math></span> at 298 K and 308 K for BSA’s interaction with both ILs. The thermodynamic parameters, such as <span><math><mrow><mstyle><mi>Δ</mi></mstyle><mi>G</mi></mrow></math></span>, <span><math><mrow><mstyle><mi>Δ</mi></mstyle><mi>H</mi></mrow></math></span> and <span><math><mrow><mstyle><mi>Δ</mi></mstyle><mi>S</mi></mrow></math></span>, were calculated using <span><math><msub><mrow><mi>K</mi></mrow><mrow><mi>a</mi></mrow></msub></math></span>. Also, Stern Volmer constants <span><math><mrow><mo>(</mo><msub><mrow><mi>K</mi></mrow><mrow><mi>sv</mi></mrow></msub><mo>)</mo></mrow></math></span> 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- <span><math><mrow><mrow><mo>[</mo><mrow><mtext>Pyr</mtext><msub><mi>C</mi><mn>12</mn></msub></mrow><mo>]</mo></mrow><mi>B</mi><msup><mrow><mi>r</mi></mrow><mo>−</mo></msup></mrow></math></span> interaction. Overall, the study could provide structural insights into future studies on using ILs as therapeutic agents.</div></div>","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 2","pages":"Article 100167"},"PeriodicalIF":0.0,"publicationDate":"2025-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144713286","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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