Journal of Molecular Liquids最新文献

{"title":"Highly efficient CO2 capture by a non-aqueous amine-based absorbent of 3 aminopropanol/polyethylene glycol 200: Experimental and computational simulation","authors":"Run Li ,&nbsp;Xiandong Hao ,&nbsp;Bo Wang ,&nbsp;Ning Zhao ,&nbsp;Zhiyong Xu ,&nbsp;Wenbo Zhao","doi":"10.1016/j.molliq.2024.126377","DOIUrl":"10.1016/j.molliq.2024.126377","url":null,"abstract":"<div><div>In the present work, a novel non-aqueous 3-aminopropanol/polyethylene glycol 200 (3AP/PEG200) absorbent for efficient carbon dioxide (CO₂) capture was designed using environment-benign and non-toxic polyethylene glycol 200 (PEG200) as an alternative to water. The mechanism, physical, thermodynamic, and kinetic properties of absorption process was investigated through a combination of experimental and multi-scale computational simulation approaches including molecular dynamics (MD) simulation and quantum chemical (QC) calculations. It was found that the addition of PEG200 not only enhanced the thermal stability of the absorbent, but also did not significantly increase the viscosity. In addition, kinetic studies revealed that the absorption process conforms to a pseudo-first-order equation, with the activation energy (<em>E</em>_<em>a</em>) value of 20.40 kJ/mol, significantly lower than that of the benchmark 30 % monoethanolamine (MEA) aqueous solution used in industrial CO₂ capture. Furthermore, the enthalpy change (<em>ΔH</em>) and entropy change (<em>ΔS</em>) values were found to be more negative than those of other liquid absorption systems, indicating that the 3AP/PEG200 absorbent is favorable for CO₂ absorption even at low partial pressures. Most importantly, the absorption system exhibited good regeneration capability, as demonstrated by five absorption–desorption cycle experiments. In conclusion, the non-aqueous 3AP/PEG200 absorbent exhibits low viscosity, high thermal stability, enhanced absorption capacity, and excellent cyclic performance, positioning it as a promising candidate for CO₂ absorption in industrial applications.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"415 ","pages":"Article 126377"},"PeriodicalIF":5.3,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657684","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}

{"title":"Disclosing the mechanism of uranium(VI) solvent extraction by polydentate ligands in a polar solvent: The role of ion pairs","authors":"S.V. Gutorova ,&nbsp;D.A. Novichkov ,&nbsp;A.L. Trigub ,&nbsp;Q. Wang ,&nbsp;M.A. Gerasimov ,&nbsp;P. Kalle ,&nbsp;E.A Arkhipova ,&nbsp;A.S. Ivanov ,&nbsp;M.V. Evsiunina ,&nbsp;T.R. Poliakova ,&nbsp;A.A. Averin ,&nbsp;V.G. Petrov ,&nbsp;A.V Khvostov ,&nbsp;A.A. Kirsanova ,&nbsp;N.E. Borisova ,&nbsp;P.I. Matveev","doi":"10.1016/j.molliq.2024.126382","DOIUrl":"10.1016/j.molliq.2024.126382","url":null,"abstract":"<div><div>Uranium is a key element in nuclear power. Developing new extraction systems for its purification and concentration is an important task for improving the nuclear fuel cycle. In this work solvent extraction and uranyl complexes with tri-dentate pyridine-based and tetra-dentate phenanthroline-based diphosphonates were studied in thorough detail, both in the organic phase and the solid state. A combination of experimental methods (loading isotherms and conductivity measurements), spectroscopic techniques (UV–vis, EXAFS, ³¹P NMR, and Raman spectroscopy) and theoretical calculations were used to disclose the mechanism of U(VI) solvent extraction. We demonstrated that with tetradentate phenanthroline-based ligands, tight ion pairs ([UO₂<strong>L</strong>NO₃]⁺[UO₂(NO₃)₃]⁻) are formed. With tridentate ligands, U(VI) forms a mixture of complexes with different stoichiometries. Significant differences in the structure of complexes with tridentate ligands in the solid state compared to complexes in the organic solution were also shown.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"415 ","pages":"Article 126382"},"PeriodicalIF":5.3,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142593429","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}

{"title":"Study of the complexation of the stress hormone with (2-hydroxypropyl) α-, β- and γ-cyclodextrins in aqueous solution","authors":"Mauricio Maldonado ,&nbsp;Edilma Sanabria ,&nbsp;Carmen Maria Romero ,&nbsp;Diana M. Galindres-Jimenez ,&nbsp;Miguel A. Esteso","doi":"10.1016/j.molliq.2024.126386","DOIUrl":"10.1016/j.molliq.2024.126386","url":null,"abstract":"<div><div>In the present work, the interactions between hydrocortisone (11,17,21-trihydroxypregn-4-ene-3,20-dione, HC; stress hormone) and cyclodextrins were investigated. The cyclodextrins selected for this study were (2-hydroxypropyl)-<em>α</em>-cyclodextrin (2-HP-<em>α</em>-CD), (2-hydroxypropyl)-<em>β</em>-cyclodextrin (2-HP-<em>β</em>-CD) and (2-hydroxypropyl)-<em>γ</em>-cyclodextrin (2-HP-<em>γ</em>-CD). The study was carried out using density measurements, ¹H-NMR and FT-IR spectroscopy. Preliminary studies show that (2-hydroxypropyl)-<em>α</em>-cyclodextrin has a low affinity for hydrocortisone (HC), while (2-hydroxypropyl)-<em>β</em>-cyclodextrin and (2-hydroxypropyl)-<em>γ</em>-cyclodextrin have a good affinity for hydrocortisone in both solid state and solution. The study was carried out at two temperatures: 298.15 K and 310.15 K. The results suggest that at both temperatures, the system 2-HP-<em>β</em>-CD + HC induces an increase in the solvent structure, with increasing the solute concentration in the solution, while on the contrary the system 2-HP-<em>γ</em>-CD + HC induces a decrease in the solvent structure when the concentration of the solute in the system increases.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"415 ","pages":"Article 126386"},"PeriodicalIF":5.3,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142587025","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}

{"title":"Insights for photochemical mechanisms of acridine-1,8-diones: An experimental and theoretical analysis and first application for fluorescence detection of 2,4,6-trinitrophenol","authors":"Weiran Li,&nbsp;Ruyi Ma,&nbsp;Zihan Wang,&nbsp;Chengwei Lü","doi":"10.1016/j.molliq.2024.126401","DOIUrl":"10.1016/j.molliq.2024.126401","url":null,"abstract":"<div><div>Acridine-1,8-diones are a type of conspicuous compound. However, only few works investigated the fluorescence properties even based on one or two isolated compounds. Here, eighteen acridine-1,8-diones were synthesized via our earlier pathway and the configuration, electronic properties and excited state properties of them were studied systematically by density functional theory (DFT) calculations and corresponding experiments. The reason why they have similar fluorescence emission wavelength and have quite different fluorescence emission intensity was investigated and explained. Among these compounds, <strong>YD-1</strong> exhibited the best fluorescent behavior and was used to detect 2,4,6-trinitrophenylphenol (TNP) firstly. The quenching efficiency reached 90.7 %, detection limit was 0.23 μM, detection time was within 10 s and binding constant was as high as 5.3 × 10⁴ M⁻¹. This probe was also successfully applied in actual water sample and soil detection, as well as real-time detection of TNP through portable fluorescent strip and smartphone platform.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"415 ","pages":"Article 126401"},"PeriodicalIF":5.3,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142586919","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}

{"title":"Toward understanding the solid-liquid equilibrium behavior of dinotefuran by thermodynamic analysis and molecular dynamic simulation","authors":"Xiaowei Cheng ,&nbsp;Zhengwei Chen ,&nbsp;Zichen Pan ,&nbsp;Luguang Qi ,&nbsp;Junning Shu ,&nbsp;Chenhuan Wang ,&nbsp;Baoshu Liu ,&nbsp;Hua Sun","doi":"10.1016/j.molliq.2024.126398","DOIUrl":"10.1016/j.molliq.2024.126398","url":null,"abstract":"<div><div>Dinotefuran is a third-generation nicotinic insecticide with a wide insecticidal spectrum and low toxicity to humans and other mammals, which has a huge potential market. The insight into the solid–liquid equilibrium behavior of dinotefuran in various solvents could further guide the design, development, and refinement of the further crystallization process. However, the complexity and variability of the dissolution process make it very challenging to study. In this research, the solid–liquid equilibrium of dinotefuran in both mono-solvents and mixed solvents was systematically investigated through a combined approach of the experimentation and molecular dynamics simulation. Firstly, the solubility of dinotefuran in a range of solvents was ascertained using the laser dynamic monitoring method over spanning temperatures from 278.15 to 318.15 K. The results showed that the solubility of dinotefuran in mono-solvents increase with the temperature increasing, while the solubility in mixed solvents exhibited an initial increase followed by a decrease with the organic solvent molar fraction increasing. Then the experimental data were fitted using five thermodynamic models. The NRTL model has the lowest 10²ARD and 10⁴RMSD values, indicating the best correlation, validity and fit. The dissolution behavior of dinotefuran was explored by calculating the thermodynamic properties. The results indicated that dinotefuran dissolution was a spontaneous, disorder degree increase process, and dissolution an exothermic process except the isopropanol + water mixed solvents. Additionally, the influence of the physicochemical properties of the solvent on the dinotefuran dissolution process was investigated, with a particular focus on the critical role of solvent polarity. Hansen solubility and the preferred solvation parameters of dinotefuran in the solvents were also further calculated to analyze the dissolution process. For the studied mixed solvents, when the ratios of methanol, ethanol, isopropanol, and acetone reached 0.85, 0.75, 0.50, and 0.70, respectively, dinotefuran molecules turned to be preferentially solvated by the water molecules. Finally, molecular dynamics simulation was performed to reveal the mechanisms of dinotefuran dissolution, suggesting the greater solute–solvent interaction, the easier dissolution. The solid–liquid equilibrium data might provide a guidance for the development of environment-friendly and efficient formulation.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"416 ","pages":"Article 126398"},"PeriodicalIF":5.3,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142655225","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}

{"title":"Synthesis of highly functionalized imine-containing halogen-substituted-1-oxo-acenaphthenes and their quantum computational investigation as propitious drugs for anti-skin cancer","authors":"Aslı Eşme ,&nbsp;Abul Hasnat ,&nbsp;Nuzhat Bashir ,&nbsp;Mohammad Kalim Ahmad Khan ,&nbsp;Masoom Raza Siddiqui ,&nbsp;Malik Nasibullah ,&nbsp;Saikh Mohammad Wabaidur ,&nbsp;Abdul Rahman Khan ,&nbsp;Mohammed Haris Siddiqui ,&nbsp;Mohd Asif","doi":"10.1016/j.molliq.2024.126402","DOIUrl":"10.1016/j.molliq.2024.126402","url":null,"abstract":"<div><div>Herein, the one-keto protected and one-keto transformed into the imine-functionalized Schiff bases (<strong>7a–b</strong>) through the 1,2-dimethoxy-1,2-dihydroacenaphthylene using calcium oxo-chloride are reported. However, the analytical techniques named UV–Vis, FT-IR_ν, ¹H, ¹³C NMR, HRMS were used for the characterization, and their analytical values were also validated through the density function theory. Actually, the experimental FT-IR_ν spectra collocated with theoretically illustrated spectra utilizing Potential Energy Distribution (PED) and Frontier Molecular Orbitals (FMO). Moreover, Molecular Electrostatic Potential (MEP) plots in methanol, DMSO, and gas phase provided insights into the electrostatic potential distribution, facilitating the prediction of the molecules’ reactivity. Similarly, the GIAO method was conducted to compare the theoretical ¹H and ¹³C NMR chemical shift values with the experimentally obtained results as well. On the contrary, <em>in-vitro</em> analysis of the anticancer activity of <strong>7a–b</strong> against 60 human cancerous cells through the National Cancer Institute Developmental program-USA was evaluated at 10^–5 <!-->M concentrations. As per lead molecule, the synthesized 7<strong>a</strong> compound not only showed 100 % GI but also 42 % lethality for the MDA-MB-435 of melanoma cancer cell. Moreover, molecular docking as artificial intelligence tool was used for the formation of docked complexes, including MN1R-7a, MN1R-7b, and MN1R-Decarbazine, and consequently they showed −8.79, −7.67, and −6.51 binding affinities in Kcal/mol units, respectively. Further, the stability of docked complexes and their physical parameters, including RMSD, RMSF, SASA, ΔGsolv, Rg values, and hydrogen-bond analysis, were performed. Futuristically, synthesized compound <strong>7a</strong> could be used for further analysis, like <em>in-vivo</em> clinical trials, to find their side effects on human cells.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"415 ","pages":"Article 126402"},"PeriodicalIF":5.3,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142586915","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}

{"title":"Catalytic and biocidal activity of silver and gold nanoparticles obtained by green synthesis using aqueous extracts of glossy privet (Ligustrum lucidum) dry fruits","authors":"Daniela L. Bordón ,&nbsp;Elisa Herrera ,&nbsp;M. Laura González ,&nbsp;Laura I. Rossi ,&nbsp;Mario L. Aimar ,&nbsp;Ana M. Vázquez ,&nbsp;Alejandro M. Granados","doi":"10.1016/j.molliq.2024.126378","DOIUrl":"10.1016/j.molliq.2024.126378","url":null,"abstract":"<div><div>Metallic nanoparticles (NPs) have gained interest due to their practical applications in various areas. The synthesis of NPs from biomass proposes a simple, economical and environmentally friendly alternative. In this work, gold NPs (AuNPs) and silver NPs (AgNPs) were synthesized from aqueous extracts of dried <em>Ligustrum lucidum</em> fruits. The biomolecules of the extract, in addition to acting as a reducing agent, are absorbed on the surface of the NPs giving excellent colloidal stability, increasing their catalytic capacity reflected in their recyclability. The TON and TOF values obtained for the reduction reaction of 4-nitrophenol in the presence of NaBH₄, are 1.4 10⁵ and 500 s⁻¹ respectively. Minimum inhibitory concentrations (MICs) were established for AgNPs using pathogens from certified collections (<em>E. coli</em> MIC = 25 µg/mL; <em>S. aureus</em> MIC = 100 µg/mL). Fractional inhibitory concentration indices (FICIs) in the presence of gentamicin showed synergistic effects (FICI = 0.5). The results demonstrate that the aqueous extract of <em>L. lucidum</em> allows the synthesis of AuNPs and AgNPs, which have attractive catalytic and antimicrobial activities, in a simple and environmentally friendly way.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"415 ","pages":"Article 126378"},"PeriodicalIF":5.3,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142593428","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}

{"title":"Preparation of thickened P(AA-AMPS) copolymers by inverse emulsion polymerization and evaluation of fracturing and oil flooding performance","authors":"Xiaoyan Ding,&nbsp;Guodong Zhang,&nbsp;Xiqiu Wang,&nbsp;Kaitao Xin,&nbsp;Fang Wang,&nbsp;Ting Zhou,&nbsp;Xiufeng Wang,&nbsp;Zhiqing Zhang","doi":"10.1016/j.molliq.2024.126400","DOIUrl":"10.1016/j.molliq.2024.126400","url":null,"abstract":"<div><div>Polymer is an essential type of fracturing fluid. Nevertheless, issues such as slow dissolution, high initial viscosity, and challenges in storage, transportation and operation limit its application. To address these issues, a thickened copolymer P(AA-AMPS) was synthesized by inverse emulsion polymerization using acrylic acid (AA) and 2-acrylamide-2-methylpropanesulfonic acid (AMPS) as the monomers. Three P(AA-AMPS) copolymers were obtained by changing the weight ratio of AA and AMPS monomers. When the weight ratio of AA to AMPS monomers was 8.2:1.8, the P(AA-AMPS) copolymer solution exhibited the best interfacial activity, reducing the oil–water interfacial tension to 3.95 mN m⁻¹. The initial viscosity of the copolymer was only 66 mPa s, but its solution could reach a high viscosity of up to 817 mPa s. P(AA-AMPS) copolymers demonstrated good resistance for temperature and shear. For instance, the viscosity of copolymer solution still remained 300 mPa s with a shear rate of 170 s⁻¹ at 90 °C. Furthermore, P(AA-AMPS) copolymers had excellent gel-breaking capacity, sand suspension stability, wettability and oil displacement ability. Therefore, the integration of fracturing and oil flooding can be realized for the development of low permeability reservoirs by selecting appropriate copolymers. P(AA-AMPS) copolymers would play an important role due to their significant viscosity differences and easy operation on storage, transportation and application.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"415 ","pages":"Article 126400"},"PeriodicalIF":5.3,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142586913","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}

{"title":"An in-silico study on boronyl-based novel liquid crystalline series","authors":"Abhishek Kumar ,&nbsp;Ambrish Kumar Srivastava ,&nbsp;Neeraj Misra ,&nbsp;Sugriva Nath Tiwari","doi":"10.1016/j.molliq.2024.126396","DOIUrl":"10.1016/j.molliq.2024.126396","url":null,"abstract":"<div><div>We explore a novel liquid crystalline (LC) series <em>n</em>XB having an alkyl chain length (C<em>_n</em>H₂<em>_n</em>₊₁) and boronyl group (BO) at terminals using density functional theory. The properties of BO-substituted 2XB molecule are found to be similar to 2CB, a well-known LC compound. Further, this novel compound prefers stacking interaction forming a dimeric complex similar to other LC compounds. These results suggest the potential of BO-substituted compounds to form new LC series. Various electronic parameters of this new <em>n</em>XB series are calculated in the gas phase and solvent effects are also taken into account for <em>n</em> = 1–12. The variation in these parameters clearly reveals the alteration in the trend leading to the odd–even effect, as observed in typical <em>n</em>CB compounds. In particular, the odd–even phenomenon for dipole moment has been discussed in the gas phase as well as in solvents. Thus, our findings predict a novel liquid crystalline series having analogous properties with cyanobiphenyl liquid crystalline series.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"415 ","pages":"Article 126396"},"PeriodicalIF":5.3,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657293","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}

{"title":"Strong acid- and irradiation-resistant nitrogen-rich covalent organic polymers with high iodine adsorption capacity","authors":"Weiwei Du ,&nbsp;Cailing Ni ,&nbsp;Chao Liu ,&nbsp;Hewei Yan ,&nbsp;Jun Zhu ,&nbsp;Yumei Luo ,&nbsp;Ye Tao ,&nbsp;Ao Meng ,&nbsp;Yuancheng Qin","doi":"10.1016/j.molliq.2024.126372","DOIUrl":"10.1016/j.molliq.2024.126372","url":null,"abstract":"<div><div>The removal of radioactive iodine from nuclear waste is very important for the development of nuclear energy. Covalent organic polymers (COPs) have been widely investigated for iodine capture due to their simple operation, diverse structures, and abundant pores. However, the disposal of nuclear waste in a strongly acidic and radioactive environment is still a great challenge. Herein, three nitrogen-rich COPs were successfully designed and synthesized by Schiff-base polycondensation reactions. The high density of N atoms in triazines and imines enhanced the binding capacity of iodine molecules, with an optimal gas-phase iodine adsorption capacity of 4.98 g g⁻¹ and a liquid-phase iodine adsorption capacity of 1224.6 mg g⁻¹. The backbone structure of the hydrazone bond connection and the introduction of thiophene effectively enhanced the stability of the TZ-COPs. The adsorption performance of TZ-2 was maintained after 6 M HNO₃ immersion and 100 kGy radiation irradiation, respectively. In addition, TZ-2 still has 92.32 % adsorption performance in five cycles, with excellent reversible regeneration ability. Therefore, this work is important for the preparation of nitrogen-rich COPs for the efficient and reversible removal of radioiodine from nuclear waste.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"415 ","pages":"Article 126372"},"PeriodicalIF":5.3,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142577817","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}