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Exploring the adsorption behavior of N-octyl pyridinium ionic liquids on graphene: Insights into reactivity and stability 探索n -辛基吡啶离子液体在石墨烯上的吸附行为:对反应性和稳定性的见解
Pub Date : 2025-06-01 Epub Date: 2025-05-24 DOI: 10.1016/j.jil.2025.100155
Kayim Pineda-Urbina , Gururaj Kudur Jayaprakash , Roberto Flores-Moreno , Ulises G. Reyes-Leaño , Zeferino Gómez-Sandoval , José Manuel Flores-Álvarez , Henry Nicole González-Ramírez , Bhavana Rikhari
Density Functional Theory (DFT) and Quantum Theory of Atoms in Molecules (QTAIM) are used in this work to examine the adsorption and interaction mechanisms of the N-octyl pyridinium cation (OP) on graphene. According to the adsorption energy analysis, the most stable configuration (50.73kcal/mol) with a Boltzmann probability greater than 99% is the G-OP-1 configuration, which is defined by a planar alignment of the alkyl chain with the graphene surface. In comparison to the isolated components, the G-OP-1 complex’s HOMO-LUMO energy gap (6.23kcal/mol) was considerably smaller, suggesting improved reactivity and effective electron transmission. While QTAIM showed 12 bond critical points (BCPs) compatible with weak electrostatic interactions sustained by van der Waals forces, Fukui function analysis discovered complimentary nucleophilic and electrophilic areas. These results highlight the potential of OP-functionalized graphene for use in electrochemical sensing and catalysis, laying the groundwork for the development of cutting-edge materials for environmental monitoring and energy storage.
本文利用密度泛函理论(DFT)和分子原子量子理论(QTAIM)研究了n -辛基吡啶阳离子(OP)在石墨烯上的吸附和相互作用机制。吸附能分析结果表明,G-OP-1构型最稳定(50.73kcal/mol),其玻尔兹曼概率大于99%。G-OP-1构型是烷基链与石墨烯表面呈平面排列的构型。与分离组分相比,G-OP-1配合物的HOMO-LUMO能隙(6.23kcal/mol)明显减小,表明该配合物的反应性和有效的电子透射性得到了改善。虽然QTAIM显示出12个键临界点(bcp)与范德华力维持的弱静电相互作用兼容,但Fukui函数分析发现了互补的亲核和亲电区域。这些结果突出了op功能化石墨烯在电化学传感和催化方面的潜力,为开发用于环境监测和储能的尖端材料奠定了基础。
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引用次数: 0
Algae cultivation in Ultra-high concentration Amino acid based ionic liquids 超高浓度氨基酸离子液体中藻类的培养
Pub Date : 2025-06-01 Epub Date: 2025-02-25 DOI: 10.1016/j.jil.2025.100138
Yuchao Li , Yuli Kou , Jide Wang , Yansong Zhao
Liquid water is an important solvent for carbon-based life, due to its special structure and hydrogen bond engaging the biochemical reactions and energy transformations in the cell. However, the liquid window of water is narrow, within 0–100 °C at 1 atm. When water is partly replaced using ionic liquids (ILs) to transfer energy and nutrition, life activities may happen at a wide temperature range and a wide pressure range on earth, in the solar system and the universe. Aqueous Gly-based ILs were employed as a culture medium for the cultivation of algae. Four different kinds of Gly-based ILs were first synthesized by neutral reaction. Structure of synthesized ILs was confirmed by FT-IR and NMR. Furthermore, effect of Gly-based ILs concentration on algae growth was investigated. Growth rate of algae was tested by microscope and UV–vis according to the absorption of chlorophyll. The Gly-based IL presented higher biological compatibility of algae than previous work. The highest concentration of glycine phosphate suit for algae cultivation is 15 % and the algae could reproduce for 30 days without obvious inhibition. This research is promising work in the context of the cultivation of algae in amino acid IL based culture medium and exploring the life activity restricted zone on earth.
液态水以其特殊的结构和氢键参与细胞内的生化反应和能量转化,是碳基生命的重要溶剂。但是,水的液窗很窄,在1atm下0-100℃范围内。当水部分被离子液体取代以传递能量和营养时,生命活动可能在地球、太阳系和宇宙的宽温度范围和宽压力范围内发生。采用gly基il作为培养藻类的培养基。通过中性反应首次合成了四种不同的gly基il。通过红外光谱(FT-IR)和核磁共振(NMR)对合成的il的结构进行了确证。此外,我们还研究了gly基ILs浓度对藻类生长的影响。根据叶绿素的吸收情况,用显微镜和紫外-可见法测定了藻类的生长速度。与以往的研究相比,基于gly的IL具有更高的藻类生物相容性。磷酸甘氨酸的最高浓度为15%,海藻可繁殖30 d,无明显抑制作用。本研究在以氨基酸IL为基础的培养基中培养藻类,探索地球上的生命活动禁区的背景下,具有广阔的应用前景。
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引用次数: 0
Thermodynamic and computational studies of Promethazine hydrochloride drug in aqueous and aqueous Choline-based deep eutectic solutions 盐酸异丙嗪药物在水和胆碱深共晶溶液中的热力学和计算研究
Pub Date : 2025-06-01 Epub Date: 2025-04-24 DOI: 10.1016/j.jil.2025.100153
Ankita S. Chandak , Ritesh Motghare , Ratiram G. Chaudhary , Sangesh P. Zodape
<div><div>This study explores deep eutectic solvents (DESs) as environmentally friendly green solvents with potential applications in the formulation of drug delivery systems (DDSs). By focusing on the important aspect of optimizing molecular interactions between drugs and DESs, this work offers thermodynamic and molecular interaction insights that facilitate the strategic selection of suitable solvents for advanced medicinal applications. In this regard, the density(<span><math><mi>ρ</mi></math></span>) and sound velocity (<span><math><mi>u</mi></math></span>) of the drug Promethazine hydrochloride (P.HCl) in aqueous and aqueous 0.5/ 1.0 mol.kg<sup>−1</sup> DES (ChCl:U) solutions were measured across various temperatures (288.18–318.15 at 5 K interval). The thermodynamic and compressibility properties such as apparent molar volume of solute <span><math><mrow><mo>(</mo><msub><mi>V</mi><mi>ϕ</mi></msub><mo>)</mo></mrow></math></span>, limiting apparent molar volume of solute <span><math><mrow><mo>(</mo><msubsup><mi>V</mi><mrow><mi>ϕ</mi></mrow><mn>0</mn></msubsup><mo>)</mo></mrow></math></span> apparent molar compressibility of solute <span><math><mrow><mo>(</mo><msub><mi>K</mi><mrow><mi>S</mi><mo>,</mo><mi>ϕ</mi></mrow></msub><mo>)</mo></mrow></math></span>, limiting apparent molar compressibility of solute <span><math><mrow><mo>(</mo><msubsup><mi>K</mi><mrow><mi>S</mi><mo>,</mo><mi>ϕ</mi></mrow><mn>0</mn></msubsup><mo>)</mo></mrow></math></span>, isentropic compressibility of solution <span><math><mrow><mo>(</mo><msub><mi>κ</mi><mi>S</mi></msub><mo>)</mo></mrow></math></span>, thermal expansion coefficient <span><math><mrow><mo>(</mo><mi>α</mi><mo>)</mo></mrow></math></span>, apparent molar expansivity of solute <span><math><mrow><mo>(</mo><msub><mi>E</mi><mi>ϕ</mi></msub><mo>)</mo></mrow></math></span> and limiting apparent molar expansivity of solute <span><math><mrow><mo>(</mo><msubsup><mi>E</mi><mi>ϕ</mi><mn>0</mn></msubsup><mo>)</mo></mrow></math></span> were computed from the experimental results. Additionally, the positive values of transfer parameters (<span><math><mrow><msub><mstyle><mi>Δ</mi></mstyle><mrow><mi>t</mi><mi>r</mi></mrow></msub><msubsup><mi>V</mi><mi>ϕ</mi><mn>0</mn></msubsup></mrow></math></span>) and (<span><math><mrow><msub><mstyle><mi>Δ</mi></mstyle><mrow><mi>t</mi><mi>r</mi></mrow></msub><msubsup><mrow><msub><mi>K</mi><mi>s</mi></msub></mrow><mi>ϕ</mi><mn>0</mn></msubsup></mrow></math></span>) suggested the dominance of ionic-hydrophilic interactions. Further, positive Hepler's constant <span><math><mrow><mo>(</mo><mrow><msup><mrow><mi>∂</mi></mrow><mn>2</mn></msup><msubsup><mi>V</mi><mi>ϕ</mi><mn>0</mn></msubsup><mo>/</mo><mi>∂</mi><msup><mrow><mi>T</mi></mrow><mn>2</mn></msup></mrow><mo>)</mo></mrow></math></span> values represent structure-making ability of drug P.HCl in all the investigated systems. Also, DFT analysis by using Gaussian 09 at B3LYP/6–311+<em>G</em>(d,p) was used for geometry optimization, reactive s
本研究探讨了深共晶溶剂作为一种环保的绿色溶剂,在药物递送系统(dds)的配方中具有潜在的应用前景。通过关注优化药物与DESs之间分子相互作用的重要方面,本工作提供了热力学和分子相互作用的见解,有助于为先进的医疗应用选择合适的溶剂。为此,测定了药物盐酸异丙嗪(p.h hcl)在水溶液和0.5/ 1.0 mol.kg - 1 DES (ChCl: u)水溶液中的密度(ρ)和声速(u)在不同温度下(288.18-318.15,间隔5 K)的变化。根据实验结果计算了溶质表观摩尔体积(vφ)、溶质极限表观摩尔体积(Vϕ)、溶质表观摩尔体积(Vϕ)、溶质表观摩尔体积(KS, φ)、溶质表观摩尔体积(KS,ϕ)、溶液等熵压缩率(κS)、热膨胀系数(α)、溶质表观摩尔膨胀率(Eϕ)和溶质极限表观摩尔膨胀率(Eϕ)的热力学和可压缩性。此外,转移参数(ΔtrVϕ0)和(ΔtrKsϕ0)的正值表明离子-亲水性相互作用占主导地位。此外,正的Hepler常数(∂2Vϕ0/∂T2)值表示药物p.h hcl在所有研究系统中的结构制造能力。此外,利用Gaussian 09在B3LYP/ 6-311 +G(d,p)处进行DFT分析,对p.h hcl和ChCl:U体系进行几何优化、活性位点识别(3D-MEP)和电荷分布分析(CHELPG)。实验和计算结果揭示了水溶液中p.h hcl和DES (ChCl:U)之间的强吸引相互作用,强调了基于DES的体系提高p.h hcl药物溶解度和稳定性的潜力,从而为先进的药物递送技术铺平了道路。
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In this regard, the density(&lt;span&gt;&lt;math&gt;&lt;mi&gt;ρ&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt;) and sound velocity (&lt;span&gt;&lt;math&gt;&lt;mi&gt;u&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt;) of the drug Promethazine hydrochloride (P.HCl) in aqueous and aqueous 0.5/ 1.0 mol.kg&lt;sup&gt;−1&lt;/sup&gt; DES (ChCl:U) solutions were measured across various temperatures (288.18–318.15 at 5 K interval). The thermodynamic and compressibility properties such as apparent molar volume of solute &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;msub&gt;&lt;mi&gt;V&lt;/mi&gt;&lt;mi&gt;ϕ&lt;/mi&gt;&lt;/msub&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;, limiting apparent molar volume of solute &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;msubsup&gt;&lt;mi&gt;V&lt;/mi&gt;&lt;mrow&gt;&lt;mi&gt;ϕ&lt;/mi&gt;&lt;/mrow&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;/msubsup&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; apparent molar compressibility of solute &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;msub&gt;&lt;mi&gt;K&lt;/mi&gt;&lt;mrow&gt;&lt;mi&gt;S&lt;/mi&gt;&lt;mo&gt;,&lt;/mo&gt;&lt;mi&gt;ϕ&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;, limiting apparent molar compressibility of solute &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;msubsup&gt;&lt;mi&gt;K&lt;/mi&gt;&lt;mrow&gt;&lt;mi&gt;S&lt;/mi&gt;&lt;mo&gt;,&lt;/mo&gt;&lt;mi&gt;ϕ&lt;/mi&gt;&lt;/mrow&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;/msubsup&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;, isentropic compressibility of solution &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;msub&gt;&lt;mi&gt;κ&lt;/mi&gt;&lt;mi&gt;S&lt;/mi&gt;&lt;/msub&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;, thermal expansion coefficient &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;mi&gt;α&lt;/mi&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;, apparent molar expansivity of solute &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;msub&gt;&lt;mi&gt;E&lt;/mi&gt;&lt;mi&gt;ϕ&lt;/mi&gt;&lt;/msub&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; and limiting apparent molar expansivity of solute &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;msubsup&gt;&lt;mi&gt;E&lt;/mi&gt;&lt;mi&gt;ϕ&lt;/mi&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;/msubsup&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; were computed from the experimental results. Additionally, the positive values of transfer parameters (&lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mstyle&gt;&lt;mi&gt;Δ&lt;/mi&gt;&lt;/mstyle&gt;&lt;mrow&gt;&lt;mi&gt;t&lt;/mi&gt;&lt;mi&gt;r&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;msubsup&gt;&lt;mi&gt;V&lt;/mi&gt;&lt;mi&gt;ϕ&lt;/mi&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;/msubsup&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;) and (&lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mstyle&gt;&lt;mi&gt;Δ&lt;/mi&gt;&lt;/mstyle&gt;&lt;mrow&gt;&lt;mi&gt;t&lt;/mi&gt;&lt;mi&gt;r&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;msubsup&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mi&gt;K&lt;/mi&gt;&lt;mi&gt;s&lt;/mi&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;mi&gt;ϕ&lt;/mi&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;/msubsup&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;) suggested the dominance of ionic-hydrophilic interactions. Further, positive Hepler's constant &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;mrow&gt;&lt;msup&gt;&lt;mrow&gt;&lt;mi&gt;∂&lt;/mi&gt;&lt;/mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/msup&gt;&lt;msubsup&gt;&lt;mi&gt;V&lt;/mi&gt;&lt;mi&gt;ϕ&lt;/mi&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;/msubsup&gt;&lt;mo&gt;/&lt;/mo&gt;&lt;mi&gt;∂&lt;/mi&gt;&lt;msup&gt;&lt;mrow&gt;&lt;mi&gt;T&lt;/mi&gt;&lt;/mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/msup&gt;&lt;/mrow&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; values represent structure-making ability of drug P.HCl in all the investigated systems. Also, DFT analysis by using Gaussian 09 at B3LYP/6–311+&lt;em&gt;G&lt;/em&gt;(d,p) was used for geometry optimization, reactive s","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 1","pages":"Article 100153"},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143917478","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
Solvent effects of imidazolium ionic liquids on photophysical properties of π-electron extended rhodamine dye ABPX 咪唑类离子液体对π-电子延伸罗丹明染料ABPX光物理性质的溶剂效应
Pub Date : 2025-06-01 Epub Date: 2025-02-04 DOI: 10.1016/j.jil.2025.100137
Kaoru Nobuoka , Shinji Enoki , Hideyuki Tanaka , Satoshi Kitaoka
We studied the solvent effect of imidazolium ionic liquids, which are media with microphase separation in their structure, on the cationic dye ABPX01. The proton accepting capacity of ionic liquids differs depending on their anions. Protonation of ABPX01 was enhanced in ionic liquids composed of anions with low proton accepting capacity, resulting in an increased proportion of dicationic forms. The alkyl group of the imidazolium cation caused a macroscopic change in viscosity, leading to a slight enhancement of the fluorescence intensity and an extension of the fluorescence lifetime. ABPX has potential material applications as a probe for the proton accepting capacity of ionic liquids and as a dye with AIE properties when used with suitable ionic liquids as a medium.
研究了咪唑类离子液体在阳离子染料ABPX01上的溶剂效应。离子液体的质子接受能力因其阴离子的不同而不同。ABPX01在由低质子接受能力阴离子组成的离子液体中质子化增强,导致阳离子形式比例增加。咪唑阳离子的烷基引起宏观粘度变化,导致荧光强度略有增强,荧光寿命延长。ABPX具有潜在的材料应用前景,可作为离子液体质子接受能力的探针,当与合适的离子液体作为介质使用时,可作为具有AIE特性的染料。
{"title":"Solvent effects of imidazolium ionic liquids on photophysical properties of π-electron extended rhodamine dye ABPX","authors":"Kaoru Nobuoka ,&nbsp;Shinji Enoki ,&nbsp;Hideyuki Tanaka ,&nbsp;Satoshi Kitaoka","doi":"10.1016/j.jil.2025.100137","DOIUrl":"10.1016/j.jil.2025.100137","url":null,"abstract":"<div><div>We studied the solvent effect of imidazolium ionic liquids, which are media with microphase separation in their structure, on the cationic dye ABPX01. The proton accepting capacity of ionic liquids differs depending on their anions. Protonation of ABPX01 was enhanced in ionic liquids composed of anions with low proton accepting capacity, resulting in an increased proportion of dicationic forms. The alkyl group of the imidazolium cation caused a macroscopic change in viscosity, leading to a slight enhancement of the fluorescence intensity and an extension of the fluorescence lifetime. ABPX has potential material applications as a probe for the proton accepting capacity of ionic liquids and as a dye with AIE properties when used with suitable ionic liquids as a medium.</div></div>","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 1","pages":"Article 100137"},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143209254","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Iodine-catalyzed 1-Aryltriazene/CS2 duo for sonochemical synthesis of 3-Sulphenylindoles employing [BMIM(SO3H)][OTf] as recyclable promoting system. 以[BMIM(SO3H)][OTf]为可循环促进体系,碘催化1-芳基三氮杂烯/CS2二偶体声化学合成3-亚砜。
Pub Date : 2025-06-01 Epub Date: 2024-12-04 DOI: 10.1016/j.jil.2024.100128
Vinod Jadhav , Athmanand Anchi , Imamhusen Jamadar , Shruti S. Malunavar , Rajesh G. Kalkhambkar , Suraj M. Sutar
Iodine-catalyzed regioselective sulphenylation of various 3-substituted indoles using CS2 as potential tool is demonstrated. An efficient and eco-friendly protocol has been developed to synthesize libraries of 3-sulphenyl indoles by employing CS2 as sulphur coupling-linkage for various 1-aryltriaznes and indoles. Short reaction time, mild reaction conditions, recycle and reuse of ionic liquids (ILs) are the advantages of this methodology. A plausible reaction mechanism to narrate the exploitation of the catalytic and promoting systems is also highlights of this work.
以CS2为潜在工具,证明了碘催化各种3-取代吲哚的区域选择性磺化反应。利用CS2作为各种1-芳基三嗪和吲哚的硫偶联键,建立了一种高效、环保的合成3-亚苯基吲哚文库的方法。该方法具有反应时间短、反应条件温和、离子液体可回收再利用等优点。一个合理的反应机制来叙述催化和促进体系的开发也是本工作的亮点。
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引用次数: 0
Outstanding electrocatalytic activity and corrosion property of NiCr nanoparticle alloys electrodeposited from a choline chloride/urea deep eutectic solvent 氯化胆碱/尿素深度共晶溶剂电沉积NiCr纳米颗粒合金的优异电催化活性和腐蚀性能
Pub Date : 2025-06-01 Epub Date: 2024-12-03 DOI: 10.1016/j.jil.2024.100129
Van Duc Chien , Kiem Do Van , Thi Hinh Dinh , Dao Lien Tien , Tu Manh Le
Nickel-chromium alloys are known for their superior corrosion resistance, wear resistance, and hardness, making them a topic of significant interest. This study explores the electrodeposition of Ni-Cr alloys onto a glassy carbon electrode from a choline chloride/urea deep eutectic solvent. Electrochemical techniques, including cyclic voltammetry and chronoamperometry, were utilized to explore the deposition process. Voltametric analysis revealed that Ni-Cr alloys could be electrodeposited from the reline deep eutectic solvent through a single potential step. The analysis of current density transients indicated that the electrocrystallization of Ni-Cr follows a three-dimensional (3D) nucleation and diffusion-controlled mechanism on the bimetallic growing surface. Additionally, the presence of the Ni(II) component was found to significantly enhance the kinetics of Ni-Cr phase formation, facilitating rapid deposition from the eutectic mixture. Surface characterization techniques, including scanning electron microscopy, energy-dispersive X-ray spectroscopy mapping, and X-ray diffraction, confirmed the uniform distribution of elements, the formation of the Ni-Cr phase, and its crystalline structure. The high quality of nickel-chromium alloys obtained from the reline deep eutectic solvent highlights their potential applications in various engineering fields, particularly in surface coating and metal protection.
镍铬合金以其优异的耐腐蚀性、耐磨性和硬度而闻名,这使它们成为人们非常感兴趣的话题。本研究探索了用氯化胆碱/尿素深共晶溶剂在玻碳电极上电沉积镍铬合金的方法。电化学技术,包括循环伏安法和计时安培法,被用于探索沉积过程。伏安分析表明,镍铬合金可以通过一个电位步骤从深共晶溶剂中电沉积。电流密度瞬态分析表明,Ni-Cr的电结晶在双金属生长表面遵循三维成核和扩散控制机制。此外,Ni(II)组分的存在显著增强了Ni- cr相形成的动力学,促进了共晶混合物的快速沉积。表面表征技术,包括扫描电子显微镜、能量色散x射线能谱图和x射线衍射,证实了元素的均匀分布、Ni-Cr相的形成及其晶体结构。从深共晶溶剂中获得的高质量镍铬合金在各种工程领域,特别是在表面涂层和金属保护方面具有潜在的应用前景。
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引用次数: 0
Benzyl triphenyl phosphonium bromide as a corrosion inhibitor: A multifaceted study on aluminium protection in acidic environment 苯三苯基溴化磷缓蚀剂:酸性环境下铝保护的多方面研究
Pub Date : 2025-06-01 Epub Date: 2025-04-26 DOI: 10.1016/j.jil.2025.100152
Mansi Y. Chaudhary , Meenakshi Gupta , Yudhvir Singh Sharma , Prerna Bansal , Shikha Kaushik , Rajni Kanojia , Manish Kumar Gautam , Shramila Yadav
Corrosion, a globally recognized issue, leads to reduced efficiency, significant economic losses, and the depletion of natural resources. Ionic liquids, particularly phosphonium-based compounds, are considered environmentally benign and sustainable alternatives. In this study, the use of Benzyl Triphenyl Phosphonium Bromide (BTPB) as a novel and efficient corrosion inhibitor for 6106 aluminum alloy in hydrochloric acid was investigated through electrochemical and surface analysis techniques. Potentiodynamic polarization, electrochemical impedance spectroscopy (EIS), and weight loss measurements were employed to evaluate its inhibition performance. BTPB exhibited an exceptional maximum inhibition efficiency of 95.95 % at 308 K, with efficiency improving with increasing concentration. Adsorption studies indicated that BTPB follows the Langmuir adsorption isotherm, while thermodynamic analysis provided deeper insights into the adsorption mechanism. Furthermore, surface characterization by scanning electron microscopy (SEM), atomic force microscopy (AFM), and density functional theory (DFT) calculations supported the experimental findings, confirming strong interactions between BTPB molecules and the aluminum surface. The outstanding inhibition efficiency, combined with the green and environmentally friendly nature of BTPB, underscores its potential as an advanced corrosion inhibitor for aluminum alloys in acidic environments.
腐蚀是一个全球公认的问题,它会导致效率降低、巨大的经济损失和自然资源的枯竭。离子液体,特别是磷基化合物,被认为是环境友好和可持续的替代品。本研究通过电化学和表面分析技术,研究了苯三苯基溴化磷(BTPB)作为一种新型高效的盐酸缓蚀剂对6106铝合金的腐蚀性能。通过动电位极化、电化学阻抗谱(EIS)和失重测量来评价其缓蚀性能。BTPB在308 K时的最大抑菌率为95.95%,且随着浓度的增加抑菌率有所提高。吸附研究表明,BTPB遵循Langmuir吸附等温线,而热力学分析则对吸附机理有更深入的了解。此外,通过扫描电子显微镜(SEM)、原子力显微镜(AFM)和密度泛函理论(DFT)计算的表面表征支持了实验结果,证实了BTPB分子与铝表面之间存在强相互作用。优异的缓蚀效率,加上BTPB绿色环保的特性,突显了它作为酸性环境下铝合金的高级缓蚀剂的潜力。
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引用次数: 0
Ionic liquid-assisted approaches in the synthesis of nitrogen-containing heterocycles: A focus on 3- to 6-membered rings 离子液体辅助合成含氮杂环的方法:以3- 6元环为重点
Pub Date : 2025-06-01 Epub Date: 2025-03-27 DOI: 10.1016/j.jil.2025.100146
Pravas Maity , Amrit Krishna Mitra
Nitrogen-containing heterocyclic compounds represent one of the most significant groups in traditional organic chemistry. Many pharmaceuticals, designed to replicate the bioactivity of natural compounds, contain these nitrogen-based heterocyclic compounds. Organic chemists have invested substantial effort into creating these compounds, focusing on innovative and efficient synthetic methods. Ionic liquids (ILs) are highly valued in organic synthesis due to their unique characteristics, such as a wide liquid range, superior solvating properties, low vapour pressure, non-flammability, eco-friendliness, and high thermal stability. They also enhance reaction rates and are easily recyclable. Their dual role as both catalysts and reaction media has drawn significant attention from chemists. With about 4000 research papers published annually, ILs continue to be a major focus of scientific exploration, particularly in the synthesis of nitrogen-containing heterocyclic compounds. This review aims to portray the synthesis of nitrogen-containing heterocyclic compounds (3-membered to 6-membered) assisted by ionic liquids.
含氮杂环化合物是传统有机化学中最重要的一类化合物。许多旨在复制天然化合物生物活性的药物都含有这些氮基杂环化合物。有机化学家已经投入了大量的精力来创造这些化合物,专注于创新和有效的合成方法。离子液体因其广泛的液体范围、优异的溶剂化性能、低蒸气压、不易燃、环保和高热稳定性等特点,在有机合成领域受到高度重视。它们还可以提高反应速率,并且易于回收。它们作为催化剂和反应介质的双重作用引起了化学家的极大关注。每年发表的研究论文约有4000篇,il仍然是科学探索的主要焦点,特别是在含氮杂环化合物的合成方面。本文综述了离子液体辅助合成含氮杂环化合物(3- 6元)的研究进展。
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引用次数: 0
Understanding crystallinity indexes benchmarking concept from optimized parametric ionic liquid pretreatment using 1-ethyl-3-methylimidazolium Acetate [EMIM]Ac on oil palm biomass 了解油棕生物质1-乙基-3-甲基咪唑醋酸酯[EMIM]Ac优化参数离子液体预处理结晶性指标标杆概念
Pub Date : 2025-06-01 Epub Date: 2025-02-01 DOI: 10.1016/j.jil.2025.100136
Amizon Azizan , Rosmaria Abu Darim , Intan Suhada Azmi , Rafidah Jalil , Shareena Fairuz Abdul Manaf
So much about the crystallinity details during lignocellulosic biomass pretreatment using ionic liquid as solvent has not been highly progressively described. The high expense associated with specific ionic liquids may have impeded the advancement of their use in pretreatment and its subsequent steps. Initially, the pretreated empty fruit bunch, oil palm frond, and oil palm trunk using 1-ethyl-3-methylimidazolium acetate ([EMIM]Ac) as ionic liquid solvent during pretreatment have indicated prospective distortion of the cellulosic chains. Simply using the calculated crystallinity status, for instance, from X-Ray Diffraction or Fourier Transform Infrared Spectroscopy analyses, may assist during the early decisive point regarding pretreatment effectiveness. Thus, in this article, the crystallinity status, like the crystallinity index (CrI) from X-Ray Diffraction analysis, was used as a beneficial preliminary predictive index to describe the transformation of less ordered structures in lignocellulosic biomass as an early decisive point after pretreatment prior to any succeeding steps. For this, fifteen (15) sets of pretreatment optimization strategies with the Box-Behnken design method (Response Surface Methodology) solely on oil palm frond (OPF) were further proceeded with using [EMIM]Ac concentration percentages of 20, 40, and 60% (v/v), with OPF solid loading percentages of 5, 10, and 15% (w/v), as well as at reactor temperatures of 90, 110, and 130 °C. All the linear model terms of these independent variables, along with the 2-way interaction model between the ionic liquid and solid loading, were found to be significant to the effect of CrI on the pretreated OPF. The proposed optimized pretreatment variable region for lower CrI was observed and concluded to be approximately 48% [EMIM]Ac with a solid loading of 12% OPF-[EMIM]Ac at a temperature of 93 °C. The optimized pretreatment strategy indicated a moderate balance between ionic liquid concentration percentage and operating temperature on a solid loading per volume basis. With this optimization data route, the challenge of determining which highly efficient ionic liquid is costly during pretreatment on any biomass can be shortened by preliminary CrI value benchmarking.
在使用离子液体作为溶剂的木质纤维素生物质预处理过程中,结晶度的细节还没有得到高度进展的描述。与特定离子液体相关的高费用可能阻碍了它们在预处理及其后续步骤中的应用。最初,在预处理过程中,使用1-乙基-3-甲基咪唑醋酸盐([EMIM]Ac)作为离子液体溶剂,预处理后的空果束、油棕叶和油棕树干显示出纤维素链的潜在扭曲。简单地使用计算的结晶度状态,例如,从x射线衍射或傅里叶变换红外光谱分析,可以帮助在早期决定性的预处理效果。因此,在本文中,结晶度状态,如x射线衍射分析的结晶度指数(CrI),被用作有益的初步预测指标,以描述木质纤维素生物质中较无序结构的转变,作为预处理后任何后续步骤之前的早期决定性点。为此,采用Box-Behnken设计方法(响应面法)对油棕叶(OPF)进行了15组预处理优化策略,分别使用[EMIM]交流浓度百分比为20、40和60% (v/v), OPF固体负荷百分比为5、10和15% (w/v),反应器温度为90、110和130℃。所有这些自变量的线性模型项,以及离子液体和固体载荷之间的双向相互作用模型,都发现CrI对预处理后的OPF的影响是显著的。在温度为93℃的条件下,优化后的预处理可变区域为48% [EMIM]Ac,固体负载为12% OPF-[EMIM]Ac。优化后的预处理策略表明,离子液体浓度百分比和操作温度在单位体积固体负荷的基础上达到了适度的平衡。有了这个优化数据路线,通过初步的CrI值基准测试,可以缩短在任何生物质预处理过程中确定哪种高效离子液体成本高的挑战。
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引用次数: 0
Increasing the carbon chain length of imidazolium ionic liquids impacts their toxicity on daphnids 增加咪唑类离子液体的碳链长度会影响其对水蚤的毒性
Pub Date : 2025-06-01 Epub Date: 2024-12-28 DOI: 10.1016/j.jil.2024.100131
Emma Rowan, Anne Leung, Konstantinos Grintzalis
Ionic liquids emerged as promising environmentally friendly alternatives to volatile organic compounds offering reduced volatility and enhanced stability. However, their unavoidable introduction into natural environments led to ecological harm particularly to aquatic species. To address this effect-based methods are crucial for the early detection of environmental pollutants and mechanistic understanding of their actions. In this study, three methylimidazolium ionic liquids with varying carbon chain length (1-ethyl-3, 1‑butyl‑3 and 1-hexyl-3) were assessed on their impact on daphnids as a key model organism in ecotoxicology. Combining methods such activities of key enzymes and phenotypic endpoints such as feeding and mortality, revealed notable changes highlighting the sensitivity of these organisms to ionic liquids. The longer chain length resulted in higher mortality; however, this was not reflected in ingestion rates in neonates which was decreased by 1-ethyl-3-methylimidazolium. In addition, activity of peptidase was decreased across all ionic liquids and acid phosphatase was increased only in 1-ethyl-3-methylimidazolium and 1-hexyl-3-methylimidazolium. Finally, glutathione-S-transferase was significantly increased in 1-hexyl-3-methylimidazolium. This study demonstrates that increasing the carbon chain length of the IL results in the most significant changes in enzyme activity. Overall, the integration of daphnid-based assays provides valuable insights into the toxicological effects and environmental risks associated with emerging pollutants such as ionic liquids. This approach underscores the importance of employing advanced methodologies for effective environmental monitoring and protection of aquatic ecosystems.
离子液体作为挥发性有机化合物的有前途的环保替代品,具有降低挥发性和增强稳定性的优点。然而,它们不可避免地进入自然环境,导致生态危害,特别是对水生物种。为了解决这一问题,基于效应的方法对于环境污染物的早期检测和对其作用的机制理解至关重要。本研究以3种不同碳链长度的甲基咪唑离子液体(1-乙基-3、1-丁基-3和1-己基-3)作为生态毒理学的关键模式生物,评估了它们对水蚤的影响。结合关键酶的活性和表型终点(如摄食和死亡)的方法,揭示了这些生物对离子液体的敏感性的显著变化。链长度越长,死亡率越高;然而,这并没有反映在新生儿的摄食率上,1-乙基-3-甲基咪唑降低了摄食率。此外,所有离子液体中肽酶活性均降低,酸性磷酸酶仅在1-乙基-3-甲基咪唑和1-己基-3-甲基咪唑中升高。最后,谷胱甘肽- s -转移酶在1-己基-3-甲基咪唑中显著升高。本研究表明,增加IL的碳链长度对酶活性的影响最为显著。总的来说,以水蚤为基础的分析的整合为与离子液体等新兴污染物相关的毒理学效应和环境风险提供了有价值的见解。这种做法强调了采用先进方法进行有效环境监测和保护水生生态系统的重要性。
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引用次数: 0
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Journal of Ionic Liquids
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