Journal of Molecular Liquids最新文献

{"title":"Experimental study on binary (solid + liquid) equilibrium and solubility analysis of N-fluorobenzenesulfonimide in 16 organic solvents at temperatures ranging from 273.35 to 322.85 K under 101.3 kPa","authors":"Bin Ou ,&nbsp;Xiaofang Li ,&nbsp;Lemei Huang ,&nbsp;Xiaobing Liu ,&nbsp;Kui Wu","doi":"10.1016/j.molliq.2025.127526","DOIUrl":"10.1016/j.molliq.2025.127526","url":null,"abstract":"<div><div>The solubility of N-fluorobenzenesulfonimide in sixteen pure organic solvents, including methanol, ethanol, n-propanol, isopropanol, n-butanol, isobutanol, n-pentanol, isopentanol, ethyl acetate, 2-butanone, 2-pentanone, acetone, toluene, acetonitrile, ethyl formate, and methyl acetate, was measured using the gravimetric method in the temperature range of 273.35 K to 322.85 K under 101.3 kPa. Five thermodynamic models, namely the modified Apelblat equation, the <em>λh</em> equation, the Non Random Two Liquid (NRTL) equation, the Wilson equation and the Yaws model, were applied to correlate the measured solubility data. The correlation results were evaluated using relative mean deviation (RAD) and root mean square deviation (RMSD). The results indicate that the molar solubility increases with increasing temperature in all sixteen solvents, and all five relevant models can provide satisfactory results. A preliminary evaluation of the potential for chemical bond formation between solute and solvent was conducted by examining the electrostatic potential energy surface of the solute. Density functional theory (DFT) was utilized to calculate the interaction between solute and solvents during the dissolution process. The KAT-LSER model was introduced to analyze solvent effects, and the results showed that hydrogen bond acidity is not conducive to dissolution, while hydrogen bond alkalinity, dipole interaction, and the ability of electron polarization to stabilize charges are conducive to dissolution. The thermodynamic properties of the mixture, such as enthalpy, entropy, and Gibbs free energy, were calculated, and the results showed that the dissolution process of N-fluorobenzenesulfonimide is spontaneous and favorable.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"428 ","pages":"Article 127526"},"PeriodicalIF":5.3,"publicationDate":"2025-04-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143791490","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, characterization, and biological evaluation of 3-benzoyl-1,5-di-(4-bromophenyl) formazan and its metal complexes: Structural insights and antibacterial activity","authors":"Rajagopalan Palatanchirakkal ,&nbsp;Rajeena Chennikkad ,&nbsp;Abu Pilakkaveettil Kavitha ,&nbsp;Kuyyilthodi M. Farhan ,&nbsp;K. Bijudas ,&nbsp;Abdul Rahim Andikkadankuzhiyil ,&nbsp;Shalina Begum Tharayil","doi":"10.1016/j.molliq.2025.127545","DOIUrl":"10.1016/j.molliq.2025.127545","url":null,"abstract":"<div><div>This paper presents the synthesis, analysis, and biological assessment of a symmetrical N-donor ligand, 3-benzoyl-1,5-di-(4-bromophenyl) formazan (HL), and its transition metal complexes with Co(II), Ni(II), Cu(I), and Pd(II). The compounds were examined using UV–visible (UV–Vis), Fourier transform infrared (FTIR), nuclear magnetic resonance (NMR), high-resolution mass spectrometry (HRMS), thermogravimetric (TG) analysis, magnetic susceptibility, and elemental composition measurements. The Co(II) complex exhibited paramagnetic properties, while Ni(II), Cu(I), and Pd(II) showed diamagnetic character, as confirmed by density functional theory (DFT) calculations and in silico studies, including molecular docking, oral bioavailability screening, and bioactivity score evaluations. Molecular docking analyses predicted the antibacterial, antifungal, and anticancer potential of the synthesized molecules, revealing strong interactions between bacterial enzymes and cancer-related proteins. The ligand acted as a bidentate monobasic agent, coordinating with terminal nitrogen atoms to form thermally stable complexes. In vitro testing against Staphylococcus aureus (<em>S. aureus</em>) and Escherichia coli (<em>E. coli</em>) demonstrated promising antibacterial properties, with the Cu(I) complex showing the most potent antimicrobial activity. The experimental outcomes were aligned with the in silico predictions. Drug-likeness and ADMET analyses support the potential of these compounds as therapeutic agents. This study highlights the importance of N-donor ligand complexes in biological processes, encouraging further investigation of these potential medicinal compounds and aiding the evaluation of N-donor ligands and their complexes as prospective therapeutic agents.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"428 ","pages":"Article 127545"},"PeriodicalIF":5.3,"publicationDate":"2025-04-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143791436","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":"Transitioning from microballs to microrods via time interval: Shaping cobalt vanadium oxide for use in energy storage devices","authors":"Sachin S. Pujari ,&nbsp;R.A. Kadam ,&nbsp;T.V.M. Sreekanth ,&nbsp;S.L. Kadam ,&nbsp;A.M. Teli ,&nbsp;Abdullah A. Al-Kahtani ,&nbsp;D. Radhalayam ,&nbsp;D.K Shin ,&nbsp;Manesh A. Yewale","doi":"10.1016/j.molliq.2025.127513","DOIUrl":"10.1016/j.molliq.2025.127513","url":null,"abstract":"<div><div>Developing self-supported electrode material in the absence of electro-inert binders considering the effortless transfer of charges and manipulating physicochemical properties of electrodes in energy storage devices is essential. This investigation focuses on the facile hydrothermal synthesis of a cobalt vanadium oxide (Co₃V₂O₈) microstructure with tailored properties for supercapacitor application. Morphological change from microballs to microrods is detected in prepared Co₃V₂O₈ microstructure owing to reaction time variation. The synthesized CVO-AFU-7 h electrode material displays superior supercapacitive performance of 318 F/g at 3 mA/cm² scan rate. Furthermore, the solid-state hybrid supercapacitor (SSHSc) device revealed superior energy storage capabilities, delivering a high energy density of 3.21 Wh/kg at a power density of 169.69 W/kg. The SSHSc device exhibits long lasting cyclability, retaining 79 % of its initial capacity after 10,000 cycles. Moreover, its practical utility is demonstrated by powering three LEDs simultaneously, indicating strong potential for industrial applications.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"428 ","pages":"Article 127513"},"PeriodicalIF":5.3,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143807754","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":"Structure-activity relationship study on the phytotoxicity of polyether lubricants: Experimental investigation and theoretical prediction based on machine learning models","authors":"Ying Wang ,&nbsp;Yuhua Song ,&nbsp;Hanwen Wang ,&nbsp;Lin Ma ,&nbsp;Mingjin Fan","doi":"10.1016/j.molliq.2025.127527","DOIUrl":"10.1016/j.molliq.2025.127527","url":null,"abstract":"<div><div>Due to the increasing awareness of environmental protection among consumers and the tightening of environmental regulations, more and more attention has been paid to environment-friendly lubricants. As a consequence, evaluating the toxicity of lubricants is essential as a way to gauge their performance. In this study, the structure–activity relationship between the structure and properties of polyether lubricants was systematically explored by studying their phytotoxicity (terrestrial/aquatic plants), physicochemical properties and lubrication performances. The results indicated that the toxicity of polyether lubricants on <em>Pak choi</em> and both algae was confirmed in the following order according to the EC₅₀ values: PEG 200 &lt; PEG 400 &lt; PEG 600, PEG 400 &gt; PPG 400, and PEGME 200 &lt; PEGDME 250. Nevertheless, for wheat, PEG 400 &lt; PPG 400. These consequences may be related to molecular polarity, cell structure or both. Considering the high cost and heavy workload of toxicity testing, three machine learning models were also established to compare their toxicity prediction ability on limited data sets under different plant tests. It is found that the ET model produced the best prediction performance in most cases. Overall, the toxicity of polyether lubricants greatly influenced by their structures, and it behaves very differently on different organisms. It is necessary to establish a comprehensive evaluation system that can objectively demonstrate the toxicity of lubricants in the environment. Among the testing oils, the viscosity-temperature, friction-reducing and antiwear performances of PEG 400, PEG 600 and PEGDME 250 are relatively satisfying, but these three oils usually have higher negative environmental impacts. So, there is a contradiction between the performances and environmental friendliness. To resolve this contradiction, there is still a lot of research work to be done.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"428 ","pages":"Article 127527"},"PeriodicalIF":5.3,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143799793","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":"Computational exploration of ESIPT mechanism associated with chalcogen substitutions for BTAP derivatives in different solvents","authors":"Chang Liu,&nbsp;Zibo Shen,&nbsp;Jinfeng Zhao,&nbsp;Wei Hua,&nbsp;Jiahe Chen","doi":"10.1016/j.molliq.2025.127548","DOIUrl":"10.1016/j.molliq.2025.127548","url":null,"abstract":"<div><div>In this study, we investigated novel 3-amino-5-<em>tert</em>-butoxycarbonyl pyrrole [3,4-C] pyrazole (BTAP) molecules, specifically the BTAP-OO, BTAP-SS, and BTAP-SeSe compounds, exploring their photoinduced behavior in relation to the electronegativity of chalcogen atoms. Through analyzing the structural alterations of these three BTAP derivatives featuring intramolecular double hydrogen bonds, variations in infrared (IR) vibrations, simulated core-valence bifurcation (CVB) indexes, and frontier molecular orbitals (MOs), we observed that low atomic electronegativity favor the enhancement of hydrogen bonding effects in S₁ state. By analyzing the potential energy surfaces (PESs) constructed for BTAP-OO, BTAP-SS, and BTAP-SeSe compounds, we uncovered the excited state intramolecular proton transfer (ESIPT) behavior exhibited by BTAP compounds even dual hydrogen bonds exist. Additionally, employing the Integral Equation Formalism for Polarizable Continuum Model (IEFPCM) and selecting acetonitrile, dichloromethane and hexane as solvents, we conducted a detailed investigation into how solvent polarity influences the ESIPT behavior of BTAP derivatives. The findings revealed the chalcogen-regulated ESIPT mechanism for BTAP derivatives, but also presented the polarity-dependent excited state behaviors for BTAP fluorophore.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"428 ","pages":"Article 127548"},"PeriodicalIF":5.3,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143791439","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":"β-cyclodextrin saves lysozyme from the clutches of 1-alkylsulfonates","authors":"Ola Grabowska ,&nbsp;Małgorzata M. Kogut-Günthel ,&nbsp;Sergey A. Samsonov ,&nbsp;Dariusz Wyrzykowski ,&nbsp;Joanna Makowska","doi":"10.1016/j.molliq.2025.127543","DOIUrl":"10.1016/j.molliq.2025.127543","url":null,"abstract":"<div><div>Non-covalent interactions between proteins and small molecules are one of the factors, along with pH and temperature, that have a significant impact on protein function, stability and biological activity. Reversible protein folding induced by molecular crowding can be controlled by introducing ligands that compete with the protein for small molecules. One example is lysozyme (Lys), which unfolds in the presence of ligands that contain hydrophobic groups in their structure, such as 1-alkylsulfonates (KXS). In this paper, a series of experimental methods, namely circular dichroism spectroscopy, isothermal titration calorimetry, conductometric titration and differential scanning calorimetry, supported by <em>in silico</em> analysis, have been applied to characterise the process of reversibility changes of lysozyme structure in the presence of 1-alkylsulfonates with different hydrophobic chain lengths and <em>β</em>-cyclodextrin (<em>β</em>-CD) used as a strong competitive KXS-binding ligand. It has been shown that the observed structural changes can be reversed by introducing <em>β</em>-CD into the system, which, due to its higher affinity for KXS in comparison to lysozyme, effectively binds small ligands and so allows the protein to refold.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"428 ","pages":"Article 127543"},"PeriodicalIF":5.3,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143799796","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":"Recent advances and new trends in the use of deep eutectic solvents in organic synthesis and other applications","authors":"Hossein Tavakol ,&nbsp;Parvaneh Shafieyoon","doi":"10.1016/j.molliq.2025.127510","DOIUrl":"10.1016/j.molliq.2025.127510","url":null,"abstract":"<div><div>In this report, the classified applications of deep eutectic solvents (DESs) in different disciplines have been reviewed. DESs have been the most important reaction media for organic reactions during last decades because of their availability, low cost, promising solubility of organic and inorganic compounds, playing dual roles of solvent and catalyst, high temperature tolerance and simple procedure for performing reaction, work-up, and separations steps. Based on the previous reports, they have been vastly employed in separation, extraction, pharmaceuticals, biofuels, biological science and polymer technology. A detailed review of the current literature reveals the lack of a comprehensive review to show the most reported aspects of this class of compounds, focusing on the recent advances and new trends in this area. This report is useful to show the road map for the scientists who do research in each category of this area. To enhance the understanding the potencies of DESs, in each field, a brief list of applications was showed in the table, as well as discussing about the most important topics. The present work identifies potential areas for future studies in this field and the most interested topics related to the use of DESs. Moreover, it covers recent developments in the use of DESs in various field to distinguish the empty spaces, which could be worked out in the future studies.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"428 ","pages":"Article 127510"},"PeriodicalIF":5.3,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143807747","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 into novel inhibitory compounds against 14–3-3 ε potential cancer therapeutic target through microscopic solvated dynamics","authors":"Alaa Abdulaziz Eisa","doi":"10.1016/j.molliq.2025.127541","DOIUrl":"10.1016/j.molliq.2025.127541","url":null,"abstract":"<div><div>Signal transduction, protein trafficking, cell cycle, and apoptosis are some examples of intracellular signaling pathways controlled by 14–3–3 proteins. Although 14–3–3 proteins have roles in numerous illnesses in humans, notably cancer, neurodegeneration, and reproductive problems, they are important options for drug targets.<!--> <!-->To effectively manage 14–3–3 ε protein, we have tested drug-like compounds in this study for protein inhibition. The Comprehensive Marine Natural Products Database (CMNPD) has 47,451 compounds and a Seaweed library, 1077 compounds underwent structure-based virtual screening. It’s important to note that molecular docking studies suggest the compounds BC005, BC010, and CMNPD164 have strong binding affinities with a binding score of (−8.2 kcal/mol), (−7.8 kcal/mol), and (−7.3 kcal/mol) respectively. In addition, the results of molecular dynamics indicated that the compounds screened were found to be stable and to stay in the binding sites for the duration of the 100-ns run. The measured pharmacokinetic features were within the allowed range and the compounds were considered drug-like and fell under Lipinski Rule 5. Throughout the simulation, Molecular Mechanics Poisson–Boltzmann Surface Area (MMPBSA), water swap energy estimation, and entropy calculations were carried out. The salt bridge studies and secondary structure analysis suggested how inhibitory action changes the secondary structural elements of protein as well as how salt bridges maintain protein–ligand complexes intact. Therefore, we believe that compounds BC005, BC010, and CMNPD164 might inhibit14-3–3 ε and be helpful as potential drugs for the treatment of cancer-based on the findings of molecular docking and dynamic simulations.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"428 ","pages":"Article 127541"},"PeriodicalIF":5.3,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143824452","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":"Enhanced oil recovery by spontaneous imbibition of nanofluid assisted low saline alkali polymer in sandstone reservoir","authors":"Gomathi Rajalakshmi Seetharaman ,&nbsp;N.P. Devakumar ,&nbsp;Minal Deshmukh ,&nbsp;Jitendra S. Sangwai","doi":"10.1016/j.molliq.2025.127533","DOIUrl":"10.1016/j.molliq.2025.127533","url":null,"abstract":"<div><div>Spontaneous imbibition plays a crucial role in enhanced oil recovery (EOR). In this work, the synergistic effect of low salinity water, alkali, polymer, and nanoparticles was explored as a potential oil recovery agent for low acid number crude oil in a sandstone reservoir. Silica nanoparticles (15 nm) at various concentrations (100–1000 ppm) were dispersed in low salinity water (lowsal) containing sodium carbonate (alkali) and polyacrylamide (PAM, polymer), referred to as low saline-alkali-polymer-nanofluid (LSAP-NFs). Interfacial tension (IFT) and contact angle measurements were performed at 50 °C to understand the impact of LSAP-NFs on EOR through spontaneous imbibition. The results showed that the larger molecular size of the polymer hindered the effect of alkali in reducing the IFT and altering the wettability. The imbibition efficiency of the LSAP-NFs was evaluated using an Amott cell at 50 °C with Berea sandstone core samples. The spontaneous imbibition results showed that the imbibition effectiveness of the LSAP-NFs was higher than that of simple alkali, LSAW, and LSAP flooding agents. The prominent mechanism of imbibition was studied by analyzing the solid–liquid interfacial force using F-D mode from Atomic Force Microscope (AFM) investigations. The interfacial mechanisms, including IFT, wettability, surface roughness, and solid–liquid interfacial forces, confirmed that the imbibition process is equally controlled by gravity and capillary forces. Further, the solid–liquid interfacial force exposed a fully hydrophilic surface with silica nanofluid, confirming that capillary force dominates imbibition. This work identifies the fundamental mechanism by which spontaneous imbibition impacts enhanced oil recovery.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"428 ","pages":"Article 127533"},"PeriodicalIF":5.3,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143815888","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":"Prediction of methylene blue dye sorption to sulfonated date palm kernel biochar using statistical regression and machine learning methods and DFT studies","authors":"Uyiosa Osagie Aigbe ,&nbsp;Kingsley Eghonghon Ukhurebor ,&nbsp;Robert Birundu Onyancha ,&nbsp;Adelaja Otolorin Osibote ,&nbsp;Mohamed A. Hassaan ,&nbsp;Marwa R. ElKatory ,&nbsp;Ahmed El Nemr","doi":"10.1016/j.molliq.2025.127547","DOIUrl":"10.1016/j.molliq.2025.127547","url":null,"abstract":"<div><div>In this study, methylene blue (MB) dye adsorption to synthesised sulfonated date palm kernel biochar (SDPKB) was predicted and optimized using statistical-based regression approach (response surface methodology (RSM), machine-learning algorithms (artificial-neural-network (ANN), and adaptive-neuro-fuzzy-inference-system (ANFIS) models), and quantum chemistry calculations performed using density function theory (DFT) to link the electrical properties of the MB dye with the experimental findings. The percentage (%) of MB dye removed using SDPKB was found to be proportional to the biosorbent dosage and interaction time and inversely proportional to the solution pH and initial concentrations based on different used models results. It was observed that these models were accurate and comparable for the prediction of the removal of MB with coefficient of regression (R²) values of 0.9174, 0.9742, and 0.9999, mean square error (MSE) values of 181.71, 94.50, and 0.00000049, and root MSE (RMSE) values of 13.48, 9.72, and 0.0007 for the RSM, ANN, and ANFIS, respectively. The ANFIS model was found to be more effective in the prediction of MB sorption to SDPKB than the other models (ANFIS &gt; ANN &gt; RSM), and it was highly applicable in the sorption process. This study has revealed that the SDPKB can serve as a better biosorbent for MB adsorption. Therefore, this study will serve as a first reference point data that will be of great assistance in industrial effluent management as well as decision-making on the adoption of statistical and machine learning models for adsorption study.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"429 ","pages":"Article 127547"},"PeriodicalIF":5.3,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143834977","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}