首页 > 最新文献

Journal of Molecular Liquids最新文献

英文 中文
Gemini surfactant-functionalized di-Schiff bases: Tailoring hydrophobicity for corrosion protection of carbon steel in 1.0 M HCl 双子表面活性剂官能化二希夫碱:定制疏水性,在 1.0 M HCl 中保护碳钢免受腐蚀
IF 5.3 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-03-09 DOI: 10.1016/j.molliq.2025.127297
Ahmed H. Elged , Eman A. Ghiaty , N.M. El Basiony , Samy M. Shaban
This study investigates the correlation between surface parameters and corrosion inhibition performance of a series of gemini surfactants based on di-azomethine, with varying hydrophobic tail lengths—DSGO (8 carbons), DSGD (12 carbons), and DSGH (16 carbons)—for carbon steel in aggressive 1.0M HCl. Our study developed an effective corrosion inhibitor by fine-tuning the surfactants’ molecular structures. The activity of these surfactants as corrosion inhibitors was evaluated by measuring their gravimetric analysis under varying temperatures and was correlated with their surface activity. Our findings highlight that the hydrophobic tail elongating enhances the surfactants’ adsorption tendency with increasing the minimum surface area occupied by each unimer (Amin), thereby increasing adsorption capacity on the carbon steel surface. This structural modification improves inhibition efficiency, which is dose-dependent and positively correlated with both hydrophobic tail elongation and temperature. Langmuir adsorption isotherms indicate a chemical adsorption nature (ΔGads = −40.3 to −44.9 kJ/mol), with inhibition efficiency rising with temperature. Electrochemical Tafel analysis reveals that DSGO, DSGD, and DSGH act as mixed-type inhibitors. XPS and SEM surface examinations confirmed the effective adsorption of these inhibitors on carbon steel, demonstrating their strong affinity and efficacy in mitigating corrosion.
{"title":"Gemini surfactant-functionalized di-Schiff bases: Tailoring hydrophobicity for corrosion protection of carbon steel in 1.0 M HCl","authors":"Ahmed H. Elged ,&nbsp;Eman A. Ghiaty ,&nbsp;N.M. El Basiony ,&nbsp;Samy M. Shaban","doi":"10.1016/j.molliq.2025.127297","DOIUrl":"10.1016/j.molliq.2025.127297","url":null,"abstract":"<div><div>This study investigates the correlation between surface parameters and corrosion inhibition performance of a series of gemini surfactants based on di-azomethine, with varying hydrophobic tail lengths—DSGO (8 carbons), DSGD (12 carbons), and DSGH (16 carbons)—for carbon steel in aggressive 1.0M HCl. Our study developed an effective corrosion inhibitor by fine-tuning the surfactants’ molecular structures. The activity of these surfactants as corrosion inhibitors was evaluated by measuring their gravimetric analysis under varying temperatures and was correlated with their surface activity. Our findings highlight that the hydrophobic tail elongating enhances the surfactants’ adsorption tendency with increasing the minimum surface area occupied by each unimer (A<sub>min</sub>), thereby increasing adsorption capacity on the carbon steel surface. This structural modification improves inhibition efficiency, which is dose-dependent and positively correlated with both hydrophobic tail elongation and temperature. Langmuir adsorption isotherms indicate a chemical adsorption nature (ΔG<sub>ads</sub> = −40.3 to −44.9 kJ/mol), with inhibition efficiency rising with temperature. Electrochemical Tafel analysis reveals that DSGO, DSGD, and DSGH act as mixed-type inhibitors. XPS and SEM surface examinations confirmed the effective adsorption of these inhibitors on carbon steel, demonstrating their strong affinity and efficacy in mitigating corrosion.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"426 ","pages":"Article 127297"},"PeriodicalIF":5.3,"publicationDate":"2025-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143628917","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Facile synthesis of Schiff base palladium (II) complex for efficient catalytic reduction of aromatic nitro compounds and organic dyes for wastewater remediation
IF 5.3 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-03-09 DOI: 10.1016/j.molliq.2025.127343
Abu Taha, Nitu Singh, Nowsheenah Farooq, Athar Adil Hashmi
Organic pollutants, such as aromatic nitro compounds and synthetic dyes, pose a serious threat to the environment as they are often released without prior treatment. These organic pollutants are primarily carcinogenic and do not degrade over time, necessitating their monitoring and removal from wastewater. Several methods exist for the removal of these harmful substances, including photolysis, adsorption, membrane treatment, biological treatment, catalytic oxidation, and catalytic reduction. In this work, we have synthesized a Schiff base (SB1) and its palladium complex (Pd (II) Complex), and characterized them through various analytical techniques such as Fourier transform infrared, proton nuclear magnetic resonance, electrospray ionization mass spectrometry, ultraviolet–visible spectroscopy, energy dispersive x-ray analysis, elemental analysis, elemental mapping and scanning electron microscope. Theoretical calculations, for SB1 and Pd (II) Complex, such as structure optimization, molecular electrostatic potential, frontier molecular orbital and energy band gap were also carried out. We subjected the Pd (II) Complex for catalytic reduction and found it very efficient in reducing aromatic nitro compounds as well as synthetic organic dyes. The Pd (II) Complex reduces 4-nitrophenol, 4-nitroaniline, congo red and methyl orange in 9, 5, 8 and 4 min with rate constant value of 0.48, 0.54, 0.33, and 1.07 min−1 respectively.
{"title":"Facile synthesis of Schiff base palladium (II) complex for efficient catalytic reduction of aromatic nitro compounds and organic dyes for wastewater remediation","authors":"Abu Taha,&nbsp;Nitu Singh,&nbsp;Nowsheenah Farooq,&nbsp;Athar Adil Hashmi","doi":"10.1016/j.molliq.2025.127343","DOIUrl":"10.1016/j.molliq.2025.127343","url":null,"abstract":"<div><div>Organic pollutants, such as aromatic nitro compounds and synthetic dyes, pose a serious threat to the environment as they are often released without prior treatment. These organic pollutants are primarily carcinogenic and do not degrade over time, necessitating their monitoring and removal from wastewater. Several methods exist for the removal of these harmful substances, including photolysis, adsorption, membrane treatment, biological treatment, catalytic oxidation, and catalytic reduction. In this work, we have synthesized a Schiff base (SB1) and its palladium complex (Pd (II) Complex), and characterized them through various analytical techniques such as Fourier transform infrared, proton nuclear magnetic resonance, electrospray ionization mass spectrometry, ultraviolet–visible spectroscopy, energy dispersive x-ray analysis, elemental analysis, elemental mapping and scanning electron microscope. Theoretical calculations, for SB1 and Pd (II) Complex, such as structure optimization, molecular electrostatic potential, frontier molecular orbital and energy band gap were also carried out. We subjected the Pd (II) Complex for catalytic reduction and found it very efficient in reducing aromatic nitro compounds as well as synthetic organic dyes. The Pd (II) Complex reduces 4-nitrophenol, 4-nitroaniline, congo red and methyl orange in 9, 5, 8 and 4 min with rate constant value of 0.48, 0.54, 0.33, and 1.07 min<sup>−1</sup> respectively.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"426 ","pages":"Article 127343"},"PeriodicalIF":5.3,"publicationDate":"2025-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143610011","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Pore-scale micromodel experiments for performance evaluation of polymeric nanofluids in CO2 flow through porous media for carbon utilization and storage
IF 5.3 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-03-09 DOI: 10.1016/j.molliq.2025.127358
Alpana Singh , Bidesh Kumar Hembram , Stefan Iglauer , Alireza Keshavarz , Tushar Sharma
This study investigated the synthesis and application of carbonated single-step polymeric nanofluids for efficient CO2 utilization in a subsurface environment. The nanofluids were synthesized using oilfield polymer solutions, ensuring high stability and compatibility with petroleum reservoir conditions such as the presence of crude oil and micromodel studies for CO2-EOR applications. The work highlights the preparation of nanofluids via a single-step method. Polymers e.g., xanthan gum and polyvinyl alcohol (PVA) were chosen as a base fluid and tetraethyl orthosilicate (TEOS) as a precursor. The nanofluids demonstrated superior stability as evident by visual and zeta-potential results. The average particle of all synthesized nanofluids was in the range of 33–110 nm for xanthan gum-based nanofluids whereas 16.9–115 nm for PVA-based nanofluids. After utilizing the pressure decay method (pressure range: 6–12 bar, ambient temperature: 30 °C), the nanofluids demonstrated exceptional CO2 absorption capabilities, presenting a promising avenue for carbon capture and utilization. The highest CO2 absorption was observed for P2 and X1 among all prepared nanofluids as evident from molality results. Higher CO2 absorption output was also validated by microscopic studies where maximum CO2 bubbles were observed for P2 and X1. After synthesis, the nanofluids were deployed in a microfluidic unit to simulate subsurface conditions, demonstrating their potential for enhanced CO2 sequestration. This study presents the novel synthesis of single-step polymeric nanofluids for CO2 utilization in subsurface environments, with a focus on carbon storage. The study innovatively utilizes a single-step method for nanofluid preparation, enhancing stability and CO2 absorption efficiency. The findings offer a significant advancement over previous CO2 sequestration techniques, providing a promising solution for mitigating greenhouse gas emissions.
{"title":"Pore-scale micromodel experiments for performance evaluation of polymeric nanofluids in CO2 flow through porous media for carbon utilization and storage","authors":"Alpana Singh ,&nbsp;Bidesh Kumar Hembram ,&nbsp;Stefan Iglauer ,&nbsp;Alireza Keshavarz ,&nbsp;Tushar Sharma","doi":"10.1016/j.molliq.2025.127358","DOIUrl":"10.1016/j.molliq.2025.127358","url":null,"abstract":"<div><div>This study investigated the synthesis and application of carbonated single-step polymeric nanofluids for efficient CO<sub>2</sub> utilization in a subsurface environment. The nanofluids were synthesized using oilfield polymer solutions, ensuring high stability and compatibility with petroleum reservoir conditions such as the presence of crude oil and micromodel studies for CO<sub>2</sub>-EOR applications. The work highlights the preparation of nanofluids <em>via</em> a single-step method. Polymers e.g., xanthan gum and polyvinyl alcohol (PVA) were chosen as a base fluid and tetraethyl orthosilicate (TEOS) as a precursor. The nanofluids demonstrated superior stability as evident by visual and zeta-potential results. The average particle of all synthesized nanofluids was in the range of 33–110 nm for xanthan gum-based nanofluids whereas 16.9–115 nm for PVA-based nanofluids. After utilizing the pressure decay method (pressure range: 6–12 bar, ambient temperature: 30 °C), the nanofluids demonstrated exceptional CO<sub>2</sub> absorption capabilities, presenting a promising avenue for carbon capture and utilization. The highest CO<sub>2</sub> absorption was observed for P2 and X1 among all prepared nanofluids as evident from molality results. Higher CO<sub>2</sub> absorption output was also validated by microscopic studies where maximum CO<sub>2</sub> bubbles were observed for P2 and X1. After synthesis, the nanofluids were deployed in a microfluidic unit to simulate subsurface conditions, demonstrating their potential for enhanced CO<sub>2</sub> sequestration. This study presents the novel synthesis of single-step polymeric nanofluids for CO<sub>2</sub> utilization in subsurface environments, with a focus on carbon storage. The study innovatively utilizes a single-step method for nanofluid preparation, enhancing stability and CO<sub>2</sub> absorption efficiency. The findings offer a significant advancement over previous CO<sub>2</sub> sequestration techniques, providing a promising solution for mitigating greenhouse gas emissions.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"426 ","pages":"Article 127358"},"PeriodicalIF":5.3,"publicationDate":"2025-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143601170","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Smartphone colorimetry for rapid environmental monitoring: Detecting Ni2+ using EDTA and mercapto succinic acid functionalized silver nanoparticles
IF 5.3 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-03-09 DOI: 10.1016/j.molliq.2025.127351
Yohana Kristafani Nubatonis , Roto Roto , Dwi Siswanta , Meruyert Keikimanova , Ahmad Hosseini-Bandegharaei
Keeping the importance of devising a simple, fast, low-cost, and precise method in view for the determination of the targeted analytes in an environmental sample, this work exploited synthesized silver nanoparticles (AgNPs) along with mercapto succinic acid (MSA) and ethylenediamine tetraacetate (EDTA) as probes for detecting Ni2+ ions. The effectiveness of these probes as Ni2+ sensors was validated using the digital image colorimetry (DIC) method. The prepared AgNPs had an average particle size of 14.68 nm and demonstrated good stability for up to 2 months. The addition of Ni2+ ions to colloidal AgNPs induced particle aggregation through metal–ligand coordination, which led to a color change in the solutions from yellow (λmax 402 nm) to blue (λmax 620 nm) and an increase in the Euclidean distance (Δd) value. Furthermore, the modified AgNPs were able to detect Ni2+ in the concentration range of 10–300 µM with a very low detection limit of 3.30 µM for the spectrophotometric method and 3.57 µM for the DIC method. The probe showed high selectivity for Ni2+ against eleven other potential interfering ions. The resulting sensor showed good performance in detecting Ni2+ ions in Code river and tap water with an accuracy of 97.43–106.85 %. Our findings provide a simple and rapid method for routine monitoring of the presence of heavy metals in environmental samples.
{"title":"Smartphone colorimetry for rapid environmental monitoring: Detecting Ni2+ using EDTA and mercapto succinic acid functionalized silver nanoparticles","authors":"Yohana Kristafani Nubatonis ,&nbsp;Roto Roto ,&nbsp;Dwi Siswanta ,&nbsp;Meruyert Keikimanova ,&nbsp;Ahmad Hosseini-Bandegharaei","doi":"10.1016/j.molliq.2025.127351","DOIUrl":"10.1016/j.molliq.2025.127351","url":null,"abstract":"<div><div>Keeping the importance of devising a simple, fast, low-cost, and precise method in view for the determination of the targeted analytes in an environmental sample, this work exploited synthesized silver nanoparticles (AgNPs) along with mercapto succinic acid (MSA) and ethylenediamine tetraacetate (EDTA) as probes for detecting Ni<sup>2+</sup> ions. The effectiveness of these probes as Ni<sup>2+</sup> sensors was validated using the digital image colorimetry (DIC) method. The prepared AgNPs had an average particle size of 14.68 nm and demonstrated good stability for up to 2 months. The addition of Ni<sup>2+</sup> ions to colloidal AgNPs induced particle aggregation through metal–ligand coordination, which led to a color change in the solutions from yellow (λ<sub>max</sub> 402 nm) to blue (λ<sub>max</sub> 620 nm) and an increase in the Euclidean distance (Δd) value. Furthermore, the modified AgNPs were able to detect Ni<sup>2+</sup> in the concentration range of 10–300 µM with a very low detection limit of 3.30 µM for the spectrophotometric method and 3.57 µM for the DIC method. The probe showed high selectivity for Ni<sup>2+</sup> against eleven other potential interfering ions. The resulting sensor showed good performance in detecting Ni<sup>2+</sup> ions in Code river and tap water with an accuracy of 97.43–106.85 %. Our findings provide a simple and rapid method for routine monitoring of the presence of heavy metals in environmental samples.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"426 ","pages":"Article 127351"},"PeriodicalIF":5.3,"publicationDate":"2025-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143610094","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Investigation of single, double and triple boron modified fullerene-C60 for the controlled drug delivery, kinetic stability and sensitivity assessments of tegafur: DFT insights 研究单硼、双硼和三硼修饰富勒烯-C60 在替加氟(tegafur)控制给药、动力学稳定性和敏感性评估中的应用:DFT 见解
IF 5.3 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-03-09 DOI: 10.1016/j.molliq.2025.127346
Cemal Parlak , Özgür Alver
Controlled and time-extended drug delivery assessments have become an important subject ever since novel nanomaterials appeared in the scene of science. In the scope of this study, taking advantage of density functional theory, the possibility of extended drug release of tegafur drug molecule using single, double and triple boron modified fullerene C60 was investigated. Structural and kinetic stability evaluations and some important diagnostic vibrational bands of B-doped fullerene-C60 and its interacted forms with the tegafur molecule were investigated. It was concluded that by modifying the surface of C60 with the B-dopant atom and using the different interaction sites of tegafur, it is possible to produce different binding energies and recovery times for controlled drug delivery purposes.
{"title":"Investigation of single, double and triple boron modified fullerene-C60 for the controlled drug delivery, kinetic stability and sensitivity assessments of tegafur: DFT insights","authors":"Cemal Parlak ,&nbsp;Özgür Alver","doi":"10.1016/j.molliq.2025.127346","DOIUrl":"10.1016/j.molliq.2025.127346","url":null,"abstract":"<div><div>Controlled and time-extended drug delivery assessments have become an important subject ever since novel nanomaterials appeared in the scene of science. In the scope of this study, taking advantage of density functional theory, the possibility of extended drug release of tegafur drug molecule using single, double and triple boron modified fullerene C<sub>60</sub> was investigated. Structural and kinetic stability evaluations and some important diagnostic vibrational bands of B-doped fullerene-C<sub>60</sub> and its interacted forms with the tegafur molecule were investigated. It was concluded that by modifying the surface of C<sub>60</sub> with the B-dopant atom and using the different interaction sites of tegafur, it is possible to produce different binding energies and recovery times for controlled drug delivery purposes.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"426 ","pages":"Article 127346"},"PeriodicalIF":5.3,"publicationDate":"2025-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143628989","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Ligand free extraction of tri-, tetra-, and hexa-valent actinide ions from aqueous hydrochloric acid medium using task specific ionic liquids
IF 5.3 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-03-09 DOI: 10.1016/j.molliq.2025.127324
Surekha D. Chowta , Arijit Sengupta , G. Sugilal , Prasanta K. Mohapatra
<div><div>The present manuscript demonstrates the ligand free extraction of tetra-, hexa- and tri-valent actinides (Pu<sup>4+</sup>, UO<sub>2</sub><sup>2+</sup> and Am<sup>3+</sup>) from hydrochloric acid medium using the ionic liquids, <em>n</em>-butyl trimethyl bis(trifluoromethylsulfonyl)imide (BuMe<sub>3</sub>N•NTf<sub>2</sub>); methyl-tri-<em>n</em>-butyl ammonium bis(trifluoromethylsulfonyl)imide (Bu<sub>3</sub>MeN•NTf<sub>2</sub>) and tri-<em>n</em>-hexyl tetradecyl phosphonium bis (2,4,4) trimethyl-<em>n</em>-pentylphosphinate ((C<sub>6</sub>)<sub>3</sub>C<sub>14</sub>P.(C<sub>1</sub>)<sub>3</sub>C<sub>5</sub>POO). The observed trend in the extraction of the actinides was: D<sub>Pu</sub> > D<sub>U</sub> > D<sub>Am</sub> for a particular ionic liquid; while for a particular actinide the observed trend in its extraction was: (C<sub>6</sub>)<sub>3</sub>C<sub>14</sub>P.(C<sub>1</sub>)<sub>3</sub>C<sub>5</sub>POO) > BuMe<sub>3</sub>N•NTf<sub>2</sub> > Bu<sub>3</sub>MeN•NTf<sub>2</sub>. The extraction of UO<sub>2</sub><sup>2+</sup> and Pu<sup>4+</sup> from 7 M HCl feed was found to proceed via the anionic chloro complexes, which were part of the following extracted species: <span><math><mrow><msub><mrow><mo>(</mo><msub><mrow><mi>B</mi><mi>u</mi></mrow><mn>3</mn></msub><mi>M</mi><mi>e</mi><mi>N</mi><mo>)</mo></mrow><mn>2</mn></msub><mrow><mfenced><mrow><mi>U</mi><msub><mi>O</mi><mn>2</mn></msub><msub><mrow><mi>C</mi><mi>l</mi></mrow><mn>4</mn></msub></mrow></mfenced></mrow></mrow></math></span> and <span><math><mrow><msub><mrow><msub><mrow><mo>(</mo><msub><mrow><mi>B</mi><mi>u</mi></mrow><mn>3</mn></msub><mi>M</mi><mi>e</mi><mi>N</mi><mo>)</mo></mrow><mn>2</mn></msub><mrow><mo>)</mo></mrow></mrow><mn>2</mn></msub><mrow><mfenced><mrow><mi>P</mi><mi>u</mi><msub><mrow><mi>C</mi><mi>l</mi></mrow><mn>6</mn></msub></mrow></mfenced></mrow></mrow></math></span>; <span><math><mrow><msub><mrow><mo>(</mo><msub><mrow><mi>M</mi><mi>e</mi></mrow><mn>3</mn></msub><mi>B</mi><mi>u</mi><mi>N</mi><mo>)</mo></mrow><mn>2</mn></msub><mrow><mfenced><mrow><mi>U</mi><msub><mi>O</mi><mn>2</mn></msub><msub><mrow><mi>C</mi><mi>l</mi></mrow><mn>4</mn></msub></mrow></mfenced></mrow></mrow></math></span> and <span><math><mrow><msub><mrow><msub><mrow><mo>(</mo><msub><mrow><mi>M</mi><mi>e</mi></mrow><mn>3</mn></msub><mi>B</mi><mi>u</mi><mi>N</mi><mo>)</mo></mrow><mn>2</mn></msub><mrow><mo>)</mo></mrow></mrow><mn>2</mn></msub><mrow><mfenced><mrow><mi>P</mi><mi>u</mi><msub><mrow><mi>C</mi><mi>l</mi></mrow><mn>6</mn></msub></mrow></mfenced></mrow></mrow></math></span>; <span><math><mrow><msub><mrow><mo>(</mo><msub><mrow><mi>H</mi><mi>e</mi><mi>x</mi></mrow><mn>3</mn></msub><mrow><mfenced><mrow><mi>T</mi><mi>e</mi><mi>t</mi><mi>r</mi><mi>a</mi><mi>d</mi><mi>e</mi><mi>c</mi><mi>y</mi><mi>l</mi></mrow></mfenced></mrow><mi>P</mi><mo>)</mo></mrow><mn>2</mn></msub><mrow><mfenced><mrow><mi>U</mi><msub><mi>O</mi><mn>2</mn></msub><msub><mrow><mi>C</mi><mi>l</mi></mrow><mn>4</mn
本手稿展示了利用离子液体正丁基三甲基双(三氟甲基磺酰基)亚胺(BuMe3N-NTf2)从盐酸介质中无配体萃取四价、六价和三价锕系元素(Pu4+、UO22+ 和 Am3+)的过程;甲基-三正丁基双(三氟甲磺酰基)亚胺铵盐 (Bu3MeN-NTf2) 和三正己基十四烷基双(2,4,4) 三甲基-正戊基膦酸盐 ((C6)3C14P.(C1)3C5POO)。观察到的锕系元素萃取趋势是对于特定的离子液体,DPu > DU > DAm;而对于特定的锕系元素,观察到的萃取趋势是:(C6)3C14P.发现从 7 M HCl 进料中萃取 UO22+ 和 Pu4+ 是通过阴离子氯络合物进行的,这些络合物是以下萃取物的一部分:(Bu3MeN)2UO2Cl4 和 (Bu3MeN)2)2PuCl6; (Me3BuN)2UO2Cl4 和 (Me3BuN)2)2PuCl6; (Hex3TetradecylP)2UO2Cl4 和 (Hex3TetradecylP)2PuCl6。研究发现,NTf2- 阴离子从离子液体相交换到水相符合 "阴离子交换 "机制。在 Am3+ 的情况下,萃取主要通过 "溶解 "机制进行,Am-离子液体的化学计量为 1:1。在 8 M HCl 条件下,钚对铀的最大分离系数估计为 ∼ 3.0 (βPu/U);而在 Bu3MeN.NTf2;Me3BuN.NTf2 和 (C6)3C14P.(C1)3C5POO 的估计值分别为 2.6 (βPu/U), 14 (βPu/Am) 和 1.8 (βPu/U), 25 (βPu/Am)。萃取过程为自发放热。络合剂(即 0.5 M 碳酸钠、草酸和乙二胺四乙酸)可在一次接触中成功地从负载离子液体相中萃取出超过 90% 的铀、钚和镅。在 500 kGy γ 射线照射下,这些溶剂系统表现出适度的放射性稳定性。
{"title":"Ligand free extraction of tri-, tetra-, and hexa-valent actinide ions from aqueous hydrochloric acid medium using task specific ionic liquids","authors":"Surekha D. Chowta ,&nbsp;Arijit Sengupta ,&nbsp;G. Sugilal ,&nbsp;Prasanta K. Mohapatra","doi":"10.1016/j.molliq.2025.127324","DOIUrl":"10.1016/j.molliq.2025.127324","url":null,"abstract":"&lt;div&gt;&lt;div&gt;The present manuscript demonstrates the ligand free extraction of tetra-, hexa- and tri-valent actinides (Pu&lt;sup&gt;4+&lt;/sup&gt;, UO&lt;sub&gt;2&lt;/sub&gt;&lt;sup&gt;2+&lt;/sup&gt; and Am&lt;sup&gt;3+&lt;/sup&gt;) from hydrochloric acid medium using the ionic liquids, &lt;em&gt;n&lt;/em&gt;-butyl trimethyl bis(trifluoromethylsulfonyl)imide (BuMe&lt;sub&gt;3&lt;/sub&gt;N•NTf&lt;sub&gt;2&lt;/sub&gt;); methyl-tri-&lt;em&gt;n&lt;/em&gt;-butyl ammonium bis(trifluoromethylsulfonyl)imide (Bu&lt;sub&gt;3&lt;/sub&gt;MeN•NTf&lt;sub&gt;2&lt;/sub&gt;) and tri-&lt;em&gt;n&lt;/em&gt;-hexyl tetradecyl phosphonium bis (2,4,4) trimethyl-&lt;em&gt;n&lt;/em&gt;-pentylphosphinate ((C&lt;sub&gt;6&lt;/sub&gt;)&lt;sub&gt;3&lt;/sub&gt;C&lt;sub&gt;14&lt;/sub&gt;P.(C&lt;sub&gt;1&lt;/sub&gt;)&lt;sub&gt;3&lt;/sub&gt;C&lt;sub&gt;5&lt;/sub&gt;POO). The observed trend in the extraction of the actinides was: D&lt;sub&gt;Pu&lt;/sub&gt; &gt; D&lt;sub&gt;U&lt;/sub&gt; &gt; D&lt;sub&gt;Am&lt;/sub&gt; for a particular ionic liquid; while for a particular actinide the observed trend in its extraction was: (C&lt;sub&gt;6&lt;/sub&gt;)&lt;sub&gt;3&lt;/sub&gt;C&lt;sub&gt;14&lt;/sub&gt;P.(C&lt;sub&gt;1&lt;/sub&gt;)&lt;sub&gt;3&lt;/sub&gt;C&lt;sub&gt;5&lt;/sub&gt;POO) &gt; BuMe&lt;sub&gt;3&lt;/sub&gt;N•NTf&lt;sub&gt;2&lt;/sub&gt; &gt; Bu&lt;sub&gt;3&lt;/sub&gt;MeN•NTf&lt;sub&gt;2&lt;/sub&gt;. The extraction of UO&lt;sub&gt;2&lt;/sub&gt;&lt;sup&gt;2+&lt;/sup&gt; and Pu&lt;sup&gt;4+&lt;/sup&gt; from 7 M HCl feed was found to proceed via the anionic chloro complexes, which were part of the following extracted species: &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;B&lt;/mi&gt;&lt;mi&gt;u&lt;/mi&gt;&lt;/mrow&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;mi&gt;M&lt;/mi&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;mi&gt;N&lt;/mi&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/msub&gt;&lt;mrow&gt;&lt;mfenced&gt;&lt;mrow&gt;&lt;mi&gt;U&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;O&lt;/mi&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/msub&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;C&lt;/mi&gt;&lt;mi&gt;l&lt;/mi&gt;&lt;/mrow&gt;&lt;mn&gt;4&lt;/mn&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/mfenced&gt;&lt;/mrow&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; and &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;B&lt;/mi&gt;&lt;mi&gt;u&lt;/mi&gt;&lt;/mrow&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;mi&gt;M&lt;/mi&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;mi&gt;N&lt;/mi&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/msub&gt;&lt;mrow&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;/mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/msub&gt;&lt;mrow&gt;&lt;mfenced&gt;&lt;mrow&gt;&lt;mi&gt;P&lt;/mi&gt;&lt;mi&gt;u&lt;/mi&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;C&lt;/mi&gt;&lt;mi&gt;l&lt;/mi&gt;&lt;/mrow&gt;&lt;mn&gt;6&lt;/mn&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/mfenced&gt;&lt;/mrow&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;; &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;M&lt;/mi&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;/mrow&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;mi&gt;B&lt;/mi&gt;&lt;mi&gt;u&lt;/mi&gt;&lt;mi&gt;N&lt;/mi&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/msub&gt;&lt;mrow&gt;&lt;mfenced&gt;&lt;mrow&gt;&lt;mi&gt;U&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;O&lt;/mi&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/msub&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;C&lt;/mi&gt;&lt;mi&gt;l&lt;/mi&gt;&lt;/mrow&gt;&lt;mn&gt;4&lt;/mn&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/mfenced&gt;&lt;/mrow&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; and &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;M&lt;/mi&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;/mrow&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;mi&gt;B&lt;/mi&gt;&lt;mi&gt;u&lt;/mi&gt;&lt;mi&gt;N&lt;/mi&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/msub&gt;&lt;mrow&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;/mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/msub&gt;&lt;mrow&gt;&lt;mfenced&gt;&lt;mrow&gt;&lt;mi&gt;P&lt;/mi&gt;&lt;mi&gt;u&lt;/mi&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;C&lt;/mi&gt;&lt;mi&gt;l&lt;/mi&gt;&lt;/mrow&gt;&lt;mn&gt;6&lt;/mn&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/mfenced&gt;&lt;/mrow&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;; &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;H&lt;/mi&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;mi&gt;x&lt;/mi&gt;&lt;/mrow&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;mrow&gt;&lt;mfenced&gt;&lt;mrow&gt;&lt;mi&gt;T&lt;/mi&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;mi&gt;t&lt;/mi&gt;&lt;mi&gt;r&lt;/mi&gt;&lt;mi&gt;a&lt;/mi&gt;&lt;mi&gt;d&lt;/mi&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;mi&gt;c&lt;/mi&gt;&lt;mi&gt;y&lt;/mi&gt;&lt;mi&gt;l&lt;/mi&gt;&lt;/mrow&gt;&lt;/mfenced&gt;&lt;/mrow&gt;&lt;mi&gt;P&lt;/mi&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/msub&gt;&lt;mrow&gt;&lt;mfenced&gt;&lt;mrow&gt;&lt;mi&gt;U&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;O&lt;/mi&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/msub&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;C&lt;/mi&gt;&lt;mi&gt;l&lt;/mi&gt;&lt;/mrow&gt;&lt;mn&gt;4&lt;/mn","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"427 ","pages":"Article 127324"},"PeriodicalIF":5.3,"publicationDate":"2025-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143637580","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
High brightness NIR luminescence BOPYINs: Synthesis, optical properties, acidic and viscosity response
IF 5.3 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-03-09 DOI: 10.1016/j.molliq.2025.127344
Yangyang Liu , Furong Shi , Ziyi Zhang , Dexin Zou , Nuonuo Zhang , Jiaying Yan
To obtain dyes exhibiting NIR emission and maintaining highly fluorescence quantum yield (FQY), a novel series of BO-DEs featuring a D-π-A system were synthesized starting from BOPYINs with visible emission in this work. BO-DEs with maximum emission wavelength ranging from 700 to 824 nm in solvents with different polarity. Compared to the previous work, the addition of a double bond on the π-bridge of BO-DE-1 led to a significant red shift with ca. 100 nm in variety of solvents vs that of YD6. Moreover, the introduction of a cyano group onto indole unit endows BO-DE-4 with emission peak at 794 nm and a relatively strong FQY of 7.8 % in DCM. Additionally, the AIE effect and acidic/viscosity response are detected in BO-DEs. Furthermore, the structure of BO-DE-1 were further demonstrated by single-crystal, and optical properties of BO-DEs were discussed through DFT calculations. This work provides an effective pathway for the preparation of high brightness NIR emission dyes based on BOPYINs, which is meaningful for fluorescence imaging in vivo.
为了获得具有近红外发射并保持高荧光量子产率(FQY)的染料,本研究从具有可见光发射的 BOPYINs 开始,合成了一系列具有 D-π-A 系统的新型 BO-DEs。在不同极性的溶剂中,BO-DEs 的最大发射波长为 700-824 nm。与之前的工作相比,在 BO-DE-1 的 π 桥上添加双键后,在各种溶剂中与 YD6 相比,BO-DE-1 的红移显著,约为 100 nm。此外,在吲哚单元上引入氰基后,BO-DE-4 的发射峰为 794 nm,在 DCM 中的 FQY 相对较高,为 7.8%。此外,BO-DE 中还检测到了 AIE 效应和酸性/粘度反应。此外,还通过单晶进一步证明了 BO-DE-1 的结构,并通过 DFT 计算讨论了 BO-DEs 的光学特性。这项工作为制备基于 BOPYINs 的高亮度近红外发射染料提供了有效途径,对体内荧光成像具有重要意义。
{"title":"High brightness NIR luminescence BOPYINs: Synthesis, optical properties, acidic and viscosity response","authors":"Yangyang Liu ,&nbsp;Furong Shi ,&nbsp;Ziyi Zhang ,&nbsp;Dexin Zou ,&nbsp;Nuonuo Zhang ,&nbsp;Jiaying Yan","doi":"10.1016/j.molliq.2025.127344","DOIUrl":"10.1016/j.molliq.2025.127344","url":null,"abstract":"<div><div>To obtain dyes exhibiting NIR emission and maintaining highly fluorescence quantum yield (FQY), a novel series of <strong>BO-DEs</strong> featuring a D-π-A system were synthesized starting from BOPYINs with visible emission in this work. <strong>BO-DEs</strong> with maximum emission wavelength ranging from 700 to 824 nm in solvents with different polarity. Compared to the previous work, the addition of a double bond on the π-bridge of <strong>BO-DE-1</strong> led to a significant red shift with ca. 100 nm in variety of solvents <em>vs</em> that of <strong>YD6</strong>. Moreover, the introduction of a cyano group onto indole unit endows <strong>BO-DE-4</strong> with emission peak at 794 nm and a relatively strong FQY of 7.8 % in DCM. Additionally, the AIE effect and acidic/viscosity response are detected in <strong>BO-DEs</strong>. Furthermore, the structure of <strong>BO-DE-1</strong> were further demonstrated by single-crystal, and optical properties of <strong>BO-DEs</strong> were discussed through DFT calculations. This work provides an effective pathway for the preparation of high brightness NIR emission dyes based on BOPYINs, which is meaningful for fluorescence imaging in vivo.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"426 ","pages":"Article 127344"},"PeriodicalIF":5.3,"publicationDate":"2025-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143591865","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Molecular association of N,N-dimethylacetamide in carbon tetrachloride as an inert medium and its water mixtures
IF 5.3 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-03-09 DOI: 10.1016/j.molliq.2025.127353
Wei Guo, Songsong Li, Zhongyu Fu, Huixuan Zhang, Qingxin Meng, Shiling Jia
The molecular association in N,N-dimethylacetamide (DMAc or DMA) and DMAc/H2O mixtures was investigated using FT-IR spectroscopy. The density functional theory (DFT) calculations and spectral deconvolution identified the primary molecular association types among DMAc molecules, and the position of the characteristic peaks. Using two-dimensional infrared correlation analysis, the transition processes among several molecular association types were investigated as functions of temperature and concentration, the Trimer type of N,N-dimethylacetamide is the main association compared to the other associations (Free, Dimer and higher molecular aggregates (Agg)). In DMAc/H2O mixtures, we observed that water interacts with the carbonyl group through hydrogen bonding, and the evolution of dominant cluster structures in the system was examined as a function of DMAc concentration.
{"title":"Molecular association of N,N-dimethylacetamide in carbon tetrachloride as an inert medium and its water mixtures","authors":"Wei Guo,&nbsp;Songsong Li,&nbsp;Zhongyu Fu,&nbsp;Huixuan Zhang,&nbsp;Qingxin Meng,&nbsp;Shiling Jia","doi":"10.1016/j.molliq.2025.127353","DOIUrl":"10.1016/j.molliq.2025.127353","url":null,"abstract":"<div><div>The molecular association in N,N-dimethylacetamide (DMAc or DMA) and DMAc/H<sub>2</sub>O mixtures was investigated using FT-IR spectroscopy. The density functional theory (DFT) calculations and spectral deconvolution identified the primary molecular association types among DMAc molecules, and the position of the characteristic peaks. Using two-dimensional infrared correlation analysis, the transition processes among several molecular association types were investigated as functions of temperature and concentration, the Trimer type of N,N-dimethylacetamide is the main association compared to the other associations (Free, Dimer and higher molecular aggregates (Agg)). In DMAc/H<sub>2</sub>O mixtures, we observed that water interacts with the carbonyl group through hydrogen bonding, and the evolution of dominant cluster structures in the system was examined as a function of DMAc concentration.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"426 ","pages":"Article 127353"},"PeriodicalIF":5.3,"publicationDate":"2025-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143620919","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Thermal and pressure stimulated effect on mesogenic 4-(heptyloxy)benzoic acid and gold nano rod composite systems
IF 5.3 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-03-09 DOI: 10.1016/j.molliq.2025.127354
Abhinav Lal , Ravindra Dhar
Nano composites of gold nano rod (GNR) with hydrogen-bonded calamitic liquid crystal (LC) compound 4-(Heptyloxy)benzoic acid is prepared for five different concentrations of GNR. Pure LC and its composites are characterized calorimetrically, texturally and spectroscopically. Pressure stimulated effects on thermal parameters like peak transition temperature (Tp), change in enthalpy of transition (ΔH) are studied. Decrease in Tp and ΔH is observed for the low concentration of GNRs, whereas these parameters have increased for composite 1 on application of pressure. Texture study confirms the uniform distribution of nano rods in the LC matrix without any sign of aggregation. Schlieren textures for different meso phases and transition between them have been recorded. A less common six-fold brush pattern is observed in Schlieren texture for one of the composites with strength of defect value S = ±32. FTIR study confirms the presence of H-bond between host LC molecules to form dimers in pure and composite systems.
{"title":"Thermal and pressure stimulated effect on mesogenic 4-(heptyloxy)benzoic acid and gold nano rod composite systems","authors":"Abhinav Lal ,&nbsp;Ravindra Dhar","doi":"10.1016/j.molliq.2025.127354","DOIUrl":"10.1016/j.molliq.2025.127354","url":null,"abstract":"<div><div>Nano composites of gold nano rod (GNR) with hydrogen-bonded calamitic liquid crystal (LC) compound 4-(Heptyloxy)benzoic acid is prepared for five different concentrations of GNR. Pure LC and its composites are characterized calorimetrically, texturally and spectroscopically. Pressure stimulated effects on thermal parameters like peak transition temperature (Tp), change in enthalpy of transition (ΔH) are studied. Decrease in Tp and ΔH is observed for the low concentration of GNRs, whereas these parameters have increased for composite 1 on application of pressure. Texture study confirms the uniform distribution of nano rods in the LC matrix without any sign of aggregation. Schlieren textures for different meso phases and transition between them have been recorded. A less common six-fold brush pattern is observed in Schlieren texture for one of the composites with strength of defect value S = <span><math><mrow><mo>±</mo><mfrac><mn>3</mn><mn>2</mn></mfrac></mrow></math></span>. FTIR study confirms the presence of H-bond between host LC molecules to form dimers in pure and composite systems.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"427 ","pages":"Article 127354"},"PeriodicalIF":5.3,"publicationDate":"2025-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143643884","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Carboxylated graphene oxide: Characterization change and enhanced adsorption capacity towards Pb2+ and Cu2+ in wastewater
IF 5.3 2区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2025-03-08 DOI: 10.1016/j.molliq.2025.127312
Thi Tuong Van Tran, Mai Lien Tran, Chi Hieu Nguyen

Background

In this work, we conducted a carboxylation process on a pristine nanomaterial – graphene oxide (GO), to improve the number of its carboxyl functional groups and thereby its adsorption performance towards heavy metal ions in wastewater.

Methods

The carboxylated GO, denoted as GO-COOH, was prepared via a carboxylation procedure with chloroacetic acid as a precusor. Characterization analyses including FESEM, BET, XRD, FTIR and zeta potential, and batch adsorption experiments towards Pb2+ and Cu2+ ions in aqueous solution were carried out to evaluate characterization and adsorption ability of the prepared materials.

Significant findings

The adsorption capacity for Pb2+ increased from qmax = 279.70 mg/g (GO) to qmax = 364.37 mg/g (GO-COOH0.5), meanwhile the qmax values for Cu2+ of GO and GO-COOH0.5 were 124.04 mg/g and 137.69 mg/g, respectively. The materials were also examined through a resuablity test and further used for a real wastewater from an industrial park in Ho Chi Minh City, Vietnam. It was found that the GO-COOH0.5 preserved relatively high adsorption capacity (67–69 %) after 5 cycles. Additionally, the GO-COOH0.5 exhibited higher removal efficiency for all metal ions present in the real wastewater as compared to GO, indicating potential applications of carboxylated GO adsorbent in practical wastewater treatment.
{"title":"Carboxylated graphene oxide: Characterization change and enhanced adsorption capacity towards Pb2+ and Cu2+ in wastewater","authors":"Thi Tuong Van Tran,&nbsp;Mai Lien Tran,&nbsp;Chi Hieu Nguyen","doi":"10.1016/j.molliq.2025.127312","DOIUrl":"10.1016/j.molliq.2025.127312","url":null,"abstract":"<div><h3>Background</h3><div>In this work, we conducted a carboxylation process on a pristine nanomaterial – graphene oxide (GO), to improve the number of its carboxyl functional groups and thereby its adsorption performance towards heavy metal ions in wastewater.</div></div><div><h3>Methods</h3><div>The carboxylated GO, denoted as GO-COOH, was prepared via a carboxylation procedure with chloroacetic acid as a precusor. Characterization analyses including FESEM, BET, XRD, FTIR and zeta potential, and batch adsorption experiments towards Pb<sup>2+</sup> and Cu<sup>2+</sup> ions in aqueous solution were carried out to evaluate characterization and adsorption ability of the prepared materials.</div></div><div><h3>Significant findings</h3><div>The adsorption capacity for Pb<sup>2+</sup> increased from q<sub>max</sub> = 279.70 mg/g (GO) to q<sub>max</sub> = 364.37 mg/g (GO-COOH0.5), meanwhile the q<sub>max</sub> values for Cu<sup>2+</sup> of GO and GO-COOH0.5 were 124.04 mg/g and 137.69 mg/g, respectively. The materials were also examined through a resuablity test and further used for a real wastewater from an industrial park in Ho Chi Minh City, Vietnam. It was found that the GO-COOH0.5 preserved relatively high adsorption capacity (67–69 %) after 5 cycles. Additionally, the GO-COOH0.5 exhibited higher removal efficiency for all metal ions present in the real wastewater as compared to GO, indicating potential applications of carboxylated GO adsorbent in practical wastewater treatment.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"426 ","pages":"Article 127312"},"PeriodicalIF":5.3,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143591858","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
期刊
Journal of Molecular Liquids
全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1