Pub Date : 2025-05-24DOI: 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 () 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 () 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.
{"title":"Exploring the adsorption behavior of N-octyl pyridinium ionic liquids on graphene: Insights into reactivity and stability","authors":"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","doi":"10.1016/j.jil.2025.100155","DOIUrl":"10.1016/j.jil.2025.100155","url":null,"abstract":"<div><div>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 (<span><math><mrow><mn>50</mn><mo>.</mo><mn>73</mn><mspace></mspace><mtext>kcal/mol</mtext></mrow></math></span>) 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 (<span><math><mrow><mn>6</mn><mo>.</mo><mn>23</mn><mspace></mspace><mtext>kcal/mol</mtext></mrow></math></span>) 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.</div></div>","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 1","pages":"Article 100155"},"PeriodicalIF":0.0,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144139334","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}
Pub Date : 2025-05-01DOI: 10.1016/j.jil.2025.100154
AF Chávez-Almanza , CA Díaz-Quiroz , G Ulloa-Mercado , AA Verdugo-Fuentes , JF Hernández-Chávez , J López-Cervantes , CB Vega-Millán , P Gortáres-Moroyoqui , C García-Gómez , MS Álvarez-Álvarez , J Rojas-Padilla , FJ Rivera-Romero
Pathogenic biofilms pose a significant clinical challenge owing to their extreme antibiotic resistance. Multiple strategies, including ionic liquids (ILs), have been explored to inhibit or eradicate biofilms. Among them, choline and amino acid based ionic liquids are of interest due to their biocompatibility and low cytotoxicity. This study assessed the antimicrobial efficacy of the ionic liquid cholinium alaninate against planktonic cultures and biofilms of Escherichia coli, Staphylococcus aureus, and Pseudomonas aeruginosa. We determined the minimum inhibitory concentration (MIC) for planktonic cells using growth curve analysis. The inhibition and eradication of biofilm were assessed in microplates through stains to quantify total and viable cells. Treatments with different concentrations of ionic liquid were compared to controls. Results were analyzed using ANOVA and multiple comparison tests. A minimum inhibitory concentration of 1.3 % w/v cholinium alaninate was determined, with inhibition in the order E. coli <P. aeruginosa <S. aureus. For biofilms, a 0.9 % w/v treatment inhibited >95 % of biofilm growth. The sub-inhibitory treatment of 1.3 % w/v resulted in the removal of ≈92 % of biomass for all Gram-negative strains, while ≈85 % eradication was achieved for S. aureus. Approximately 3 % of Gram-negative bacteria and 5 % of S. aureus were metabolically active. Significant differences were observed for all treatments on biofilm (p < 0.05), with the greatest effects on Gram-negative bacteria. The IL cholinium ʟ-alaninate ([Cho][Ala]) effectively prevented biofilm formation and eradicated preformed biofilms. We recommend investigating multidrug resistant pathogens and surfaces that exhibit enhanced adherence.
{"title":"Evaluation of the ionic liquid cholinium L-alaninate as a promising biofilm control in clinically relevant bacteria","authors":"AF Chávez-Almanza , CA Díaz-Quiroz , G Ulloa-Mercado , AA Verdugo-Fuentes , JF Hernández-Chávez , J López-Cervantes , CB Vega-Millán , P Gortáres-Moroyoqui , C García-Gómez , MS Álvarez-Álvarez , J Rojas-Padilla , FJ Rivera-Romero","doi":"10.1016/j.jil.2025.100154","DOIUrl":"10.1016/j.jil.2025.100154","url":null,"abstract":"<div><div>Pathogenic biofilms pose a significant clinical challenge owing to their extreme antibiotic resistance. Multiple strategies, including ionic liquids (ILs), have been explored to inhibit or eradicate biofilms. Among them, choline and amino acid based ionic liquids are of interest due to their biocompatibility and low cytotoxicity. This study assessed the antimicrobial efficacy of the ionic liquid cholinium alaninate against planktonic cultures and biofilms of <em>Escherichia coli, Staphylococcus aureus</em>, and <em>Pseudomonas aeruginosa</em>. We determined the minimum inhibitory concentration (MIC) for planktonic cells using growth curve analysis. The inhibition and eradication of biofilm were assessed in microplates through stains to quantify total and viable cells. Treatments with different concentrations of ionic liquid were compared to controls. Results were analyzed using ANOVA and multiple comparison tests. A minimum inhibitory concentration of 1.3 % w/v cholinium alaninate was determined, with inhibition in the order <em>E. coli</em> <<em>P. aeruginosa</em> <<em>S. aureus</em>. For biofilms, a 0.9 % w/v treatment inhibited >95 % of biofilm growth. The sub-inhibitory treatment of 1.3 % w/v resulted in the removal of ≈92 % of biomass for all Gram-negative strains, while ≈85 % eradication was achieved for <em>S. aureus</em>. Approximately 3 % of Gram-negative bacteria and 5 % of <em>S. aureus</em> were metabolically active. Significant differences were observed for all treatments on biofilm (<em>p</em> < 0.05), with the greatest effects on Gram-negative bacteria. The IL cholinium ʟ-alaninate ([Cho][Ala]) effectively prevented biofilm formation and eradicated preformed biofilms. We recommend investigating multidrug resistant pathogens and surfaces that exhibit enhanced adherence.</div></div>","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 1","pages":"Article 100154"},"PeriodicalIF":0.0,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143927711","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}
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.
{"title":"Benzyl triphenyl phosphonium bromide as a corrosion inhibitor: A multifaceted study on aluminium protection in acidic environment","authors":"Mansi Y. Chaudhary , Meenakshi Gupta , Yudhvir Singh Sharma , Prerna Bansal , Shikha Kaushik , Rajni Kanojia , Manish Kumar Gautam , Shramila Yadav","doi":"10.1016/j.jil.2025.100152","DOIUrl":"10.1016/j.jil.2025.100152","url":null,"abstract":"<div><div>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.</div></div>","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 1","pages":"Article 100152"},"PeriodicalIF":0.0,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143886228","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}
Pub Date : 2025-04-24DOI: 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
{"title":"Thermodynamic and computational studies of Promethazine hydrochloride drug in aqueous and aqueous Choline-based deep eutectic solutions","authors":"Ankita S. Chandak , Ritesh Motghare , Ratiram G. Chaudhary , Sangesh P. Zodape","doi":"10.1016/j.jil.2025.100153","DOIUrl":"10.1016/j.jil.2025.100153","url":null,"abstract":"<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","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 1","pages":"Article 100153"},"PeriodicalIF":0.0,"publicationDate":"2025-04-24","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}
A novel sorbent was successfully developed by immobilizing the ionic liquid tricaprylylmethylammonium chloride (Aliquat 336) into chitin, a natural and renewable polysaccharide. The sorbent was comprehensively characterized using SEM, BET, TGA, FTIR and DRX techniques, and its performance was evaluated for the removal of Cr(VI) from aqueous solutions. The effects of key physicochemical parameters—including pH, stirring time, initial Cr(VI) concentration, and sorbent dosage—were systematically investigated. The sorbent demonstrated high selectivity performance and efficiency for Cr(VI) removal, highlighting a maximum adsorption capacity of 35 mg/g, which is 20 times greater than that of native chitin, at an optimum pH of 2. Interference studies with coexisting ions confirmed the robustness of the sorbent to remove Cr(VI) under competitive conditions. Effective desorption was achieved with a 0.1 M NaOH solution, allowing for 80 % metal recovery within 1 hour of contact. Additionally, the sorbent exhibited remarkable stability over five cycles, maintaining its high adsorption capacity without significant loss in performance.
This study underscores the potential of the new sorbent as a sustainable and efficient material for Cr(VI) remediation, combining high adsorption capacity, reusability, and eco-friendly design.
{"title":"Hexavalent chromium removal using chitin microspheres modified by an ionic liquid cation tricaprylmethylammonium chloride (Aliquat 336)","authors":"Salima Benniche , Ounissa Senhadji-Kebiche , Ariana Pintor , Claudia Fontas","doi":"10.1016/j.jil.2025.100151","DOIUrl":"10.1016/j.jil.2025.100151","url":null,"abstract":"<div><div>A novel sorbent was successfully developed by immobilizing the ionic liquid tricaprylylmethylammonium chloride (Aliquat 336) into chitin, a natural and renewable polysaccharide. The sorbent was comprehensively characterized using SEM, BET, TGA, FTIR and DRX techniques, and its performance was evaluated for the removal of Cr(VI) from aqueous solutions. The effects of key physicochemical parameters—including pH, stirring time, initial Cr(VI) concentration, and sorbent dosage—were systematically investigated. The sorbent demonstrated high selectivity performance and efficiency for Cr(VI) removal, highlighting a maximum adsorption capacity of 35 mg/g, which is 20 times greater than that of native chitin, at an optimum pH of 2. Interference studies with coexisting ions confirmed the robustness of the sorbent to remove Cr(VI) under competitive conditions. Effective desorption was achieved with a 0.1 M NaOH solution, allowing for 80 % metal recovery within 1 hour of contact. Additionally, the sorbent exhibited remarkable stability over five cycles, maintaining its high adsorption capacity without significant loss in performance.</div><div>This study underscores the potential of the new sorbent as a sustainable and efficient material for Cr(VI) remediation, combining high adsorption capacity, reusability, and eco-friendly design.</div></div>","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 1","pages":"Article 100151"},"PeriodicalIF":0.0,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143873979","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}
Pub Date : 2025-04-10DOI: 10.1016/j.jil.2025.100150
Pratyush Ranjan Hota , Devi Prasanna Behera , Harekrushna Sahoo
The present article examined the impact of ammonium-based dicationic ionic liquids (ILs) as co-solvent on the biophysical behaviour of CRABP I protein using various spectroscopic techniques along with molecular docking to support the experimental outcomes. Fluorescence study revealed significant alternations in the microenvironments of aromatic fluorescent amino acid residues. Fluorescence intensity indicated a decline upon increase in concentration of co-solvents, with a red shift. A similar trend also observed with the synchronous study. Stern-Volmer parameters revealed the static quenching behaviour whereas, existence of electrostatic interaction between protein and ILs is revealed from binding study using temperature-dependent fluorescence measurements. Conformational and structural changes of the protein were analysed using Circular Dichroism spectrometer. Molecular docking study supported the spectroscopic outcomes at the molecular level.
{"title":"Ammonium based dicationic ionic liquids: An interaction with CRABP I deciphered with biophysical perspective","authors":"Pratyush Ranjan Hota , Devi Prasanna Behera , Harekrushna Sahoo","doi":"10.1016/j.jil.2025.100150","DOIUrl":"10.1016/j.jil.2025.100150","url":null,"abstract":"<div><div>The present article examined the impact of ammonium-based dicationic ionic liquids (ILs) as co-solvent on the biophysical behaviour of CRABP I protein using various spectroscopic techniques along with molecular docking to support the experimental outcomes. Fluorescence study revealed significant alternations in the microenvironments of aromatic fluorescent amino acid residues. Fluorescence intensity indicated a decline upon increase in concentration of co-solvents, with a red shift. A similar trend also observed with the synchronous study. Stern-Volmer parameters revealed the static quenching behaviour whereas, existence of electrostatic interaction between protein and ILs is revealed from binding study using temperature-dependent fluorescence measurements. Conformational and structural changes of the protein were analysed using Circular Dichroism spectrometer. Molecular docking study supported the spectroscopic outcomes at the molecular level.</div></div>","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 1","pages":"Article 100150"},"PeriodicalIF":0.0,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143826377","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}
Pub Date : 2025-03-27DOI: 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.
{"title":"Ionic liquid-assisted approaches in the synthesis of nitrogen-containing heterocycles: A focus on 3- to 6-membered rings","authors":"Pravas Maity , Amrit Krishna Mitra","doi":"10.1016/j.jil.2025.100146","DOIUrl":"10.1016/j.jil.2025.100146","url":null,"abstract":"<div><div>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.</div></div>","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 1","pages":"Article 100146"},"PeriodicalIF":0.0,"publicationDate":"2025-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143768351","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}
Pub Date : 2025-03-24DOI: 10.1016/j.jil.2025.100147
Stephanie C. Jones , Devin J. Schwaibold , Grant Meadows , Brennan Shuler , Richard Sykora , Frank R. Fronczek , James H. Davis Jr , Benjamin F. Wicker
The syntheses of triphenyl-2-pyridylphosphonium salts, [Mopyphos]A, where A- = BF4-, B(C6H5)4-, (CF3SO2)2N-, Sac-, and Ace-. (Sac- = saccharinate, Ace- = acesulfamate) are described. These salts can be synthesized on a multi-gram scale with good yields and have been characterized by NMR, single crystal XRD, and HRMS. Thermal analyses indicate that the bistriflimide (Tf2N- = (CF3SO2)2N-) salts are especially amenable towards high-temperature ionic liquid (IL) applications with decomposition temperatures above 450°C. The synthetic methods described herein can be utilized to generate several phosphonium bistriflimide ILs of the general formula [(C6H5)3P-Ar]Tf2N, where Ar = N-heteroaryl).
{"title":"Facile synthesis of tetraaryl phosphonium ionic liquids","authors":"Stephanie C. Jones , Devin J. Schwaibold , Grant Meadows , Brennan Shuler , Richard Sykora , Frank R. Fronczek , James H. Davis Jr , Benjamin F. Wicker","doi":"10.1016/j.jil.2025.100147","DOIUrl":"10.1016/j.jil.2025.100147","url":null,"abstract":"<div><div>The syntheses of triphenyl-2-pyridylphosphonium salts, [Mopyphos]A, where A<sup>-</sup> = BF<sub>4</sub><sup>-</sup>, B(C<sub>6</sub>H<sub>5</sub>)<sub>4</sub><sup>-</sup>, (CF<sub>3</sub>SO<sub>2</sub>)<sub>2</sub>N<sup>-</sup>, Sac<sup>-</sup>, and Ace<sup>-</sup>. (Sac<sup>-</sup> = saccharinate, Ace<sup>-</sup> = acesulfamate) are described. These salts can be synthesized on a multi-gram scale with good yields and have been characterized by NMR, single crystal XRD, and HRMS. Thermal analyses indicate that the bistriflimide (Tf<sub>2</sub>N<sup>-</sup> = (CF<sub>3</sub>SO<sub>2</sub>)<sub>2</sub>N<sup>-</sup>) salts are especially amenable towards high-temperature ionic liquid (IL) applications with decomposition temperatures above 450°C. The synthetic methods described herein can be utilized to generate several phosphonium bistriflimide ILs of the general formula [(C<sub>6</sub>H<sub>5</sub>)<sub>3</sub>P-Ar]Tf<sub>2</sub>N, where Ar = N-heteroaryl).</div></div>","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 1","pages":"Article 100147"},"PeriodicalIF":0.0,"publicationDate":"2025-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143738367","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}
Pub Date : 2025-03-19DOI: 10.1016/j.jil.2025.100144
L. Syam Sundar
In this study, the stable Graphene Oxide (GO) ionanofluids were prepared and investigated the thermophysical properties, heat transfer coefficient, and friction factor experimentally. These ionanofluids were prepared by dispersing the synthesized GO into the ionic liquid of 1-ethyl-3-methylimidazolium chloride [EMIM]Cl in the weight percentages of 0.05 %, 0.1 %, 0.3 % and 0.5 %, respectively. The obtained experimental data of Reynolds number, and weight percentage was used as input parameters, and heat transfer coefficient, Nusselt number, and friction factor was used as output parameters for the Artificial Neural Network- Scaled Conjugate Gradient (ANN-SCG) analysis. The results indicated that, the thermal conductivity is enhanced by 26.39 % at a temperature of 60°C, and the viscosity enhancement of 30.44 % at a temperature of 30°C, and at 0.5 % weight percentage. The results were also indicated that, the Nusselt number, heat transfer coefficient is enhanced by 32.27 %, and 41.96 %, with a friction factor penalty of 14.04 % at 0.5 % weight percentage and at a Reynolds number of 297.4, respectively, over base fluid. The ANN-SCG results are almost predicts high accuracy when compared with the experimental data. The correlation coefficient (R2) of Nusselt number, heat transfer coefficient, and friction factor are 0.9815, 0.9812, and 0.9918, respectively. Using the experimental data, a new Nusselt number and friction factor correlations were proposed.
{"title":"Graphene oxide based [EMIM]Cl ionanofluids in a tube and their heat transfer, and friction factor analyses under high Prandtl numbers: Experimental and ANN predictions","authors":"L. Syam Sundar","doi":"10.1016/j.jil.2025.100144","DOIUrl":"10.1016/j.jil.2025.100144","url":null,"abstract":"<div><div>In this study, the stable Graphene Oxide (GO) ionanofluids were prepared and investigated the thermophysical properties, heat transfer coefficient, and friction factor experimentally. These ionanofluids were prepared by dispersing the synthesized GO into the ionic liquid of 1-ethyl-3-methylimidazolium chloride [EMIM]Cl in the weight percentages of 0.05 %, 0.1 %, 0.3 % and 0.5 %, respectively. The obtained experimental data of Reynolds number, and weight percentage was used as input parameters, and heat transfer coefficient, Nusselt number, and friction factor was used as output parameters for the Artificial Neural Network- Scaled Conjugate Gradient (ANN-SCG) analysis. The results indicated that, the thermal conductivity is enhanced by 26.39 % at a temperature of 60°C, and the viscosity enhancement of 30.44 % at a temperature of 30°C, and at 0.5 % weight percentage. The results were also indicated that, the Nusselt number, heat transfer coefficient is enhanced by 32.27 %, and 41.96 %, with a friction factor penalty of 14.04 % at 0.5 % weight percentage and at a Reynolds number of 297.4, respectively, over base fluid. The ANN-SCG results are almost predicts high accuracy when compared with the experimental data. The correlation coefficient (R<sup>2</sup>) of Nusselt number, heat transfer coefficient, and friction factor are 0.9815, 0.9812, and 0.9918, respectively. Using the experimental data, a new Nusselt number and friction factor correlations were proposed.</div></div>","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 1","pages":"Article 100144"},"PeriodicalIF":0.0,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143735246","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}
Pub Date : 2025-03-15DOI: 10.1016/j.jil.2025.100143
Muhamad Iqbal Ishak , Asiah Nusaibah Masri , Azad Anugerah Ali Rasol , Izni Mariah Ibrahim , Hasrinah Hasbullah
Amino Acid Deep Eutectic Solvents (AADES) are emerging as a promising sustainable alternative to conventional organic solvents, particularly in oil purification processes. This review explores the unique properties of AADES, including their environmental benefits, biocompatibility, and high extraction efficiency. Given the limited availability of published studies specifically on AADES for oil purification, this work references research on deep eutectic solvents (DES) containing amino acids, as well as DES with mechanisms that could be applicable to AADES. The article highlights the potential role of AADES in enhancing oil purification techniques, offering a greener and more efficient approach to industrial applications. However, challenges remain, particularly regarding their scalability, long-term stability, and the lack of direct comparative studies with traditional solvents. By integrating insights from existing DES studies, this review underscores the need for further research to optimize AADES formulations for specific contaminants and improve their performance in large-scale applications. Additionally, understanding the mechanisms governing their interactions with biomolecules and oil-based contaminants is crucial for advancing their industrial viability. Addressing these gaps will support the broader adoption of AADES, contributing to more sustainable and effective oil purification processes while promoting environmental conservation efforts.
{"title":"Amino Acid Deep Eutectic Solvents (AADES) in Oil Purification: An Overview of Properties, Applications, and Future Directions","authors":"Muhamad Iqbal Ishak , Asiah Nusaibah Masri , Azad Anugerah Ali Rasol , Izni Mariah Ibrahim , Hasrinah Hasbullah","doi":"10.1016/j.jil.2025.100143","DOIUrl":"10.1016/j.jil.2025.100143","url":null,"abstract":"<div><div>Amino Acid Deep Eutectic Solvents (AADES) are emerging as a promising sustainable alternative to conventional organic solvents, particularly in oil purification processes. This review explores the unique properties of AADES, including their environmental benefits, biocompatibility, and high extraction efficiency. Given the limited availability of published studies specifically on AADES for oil purification, this work references research on deep eutectic solvents (DES) containing amino acids, as well as DES with mechanisms that could be applicable to AADES. The article highlights the potential role of AADES in enhancing oil purification techniques, offering a greener and more efficient approach to industrial applications. However, challenges remain, particularly regarding their scalability, long-term stability, and the lack of direct comparative studies with traditional solvents. By integrating insights from existing DES studies, this review underscores the need for further research to optimize AADES formulations for specific contaminants and improve their performance in large-scale applications. Additionally, understanding the mechanisms governing their interactions with biomolecules and oil-based contaminants is crucial for advancing their industrial viability. Addressing these gaps will support the broader adoption of AADES, contributing to more sustainable and effective oil purification processes while promoting environmental conservation efforts.</div></div>","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 1","pages":"Article 100143"},"PeriodicalIF":0.0,"publicationDate":"2025-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143725627","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}
扫码关注我们
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号