Journal of Molecular Liquids最新文献

{"title":"Promising natural compounds for hypoglycemic therapy: in silico identification of GKRP inhibitors from Coffea arabica via DFT, molecular docking, and aqueous-phase molecular dynamics simulations","authors":"Jonathan Jason Sugihcahyana ,&nbsp;Christian Kenneth ,&nbsp;Dwi Hudiyanti ,&nbsp;Parsaoran Siahaan ,&nbsp;Daru Seto Bagus Anugrah","doi":"10.1016/j.molliq.2026.129256","DOIUrl":"10.1016/j.molliq.2026.129256","url":null,"abstract":"<div><div>Diabetes mellitus remains a significant global health problem, and targeting glucokinase regulatory protein (GKRP) offers a promising strategy to regulate glucokinase (GK) activity more safely without increasing the risk of hypoglycemia. Coffee, which is rich in bioactive phenolic compounds, has the potential to provide a natural product-based antidiabetic candidate. This study aims to identify <em>Coffea arabica</em> compounds as potential GKRP inhibitors and to characterize the complexes' dynamics. Initially, <em>Coffea arabica</em> compounds were screened using a blind docking approach against GKRP and ADME filtering. Out of 134 compounds, 12 compounds, particularly Fontanesine B (Fon), Formononetin (For), and Hesperetin (Hes), exhibited high binding scores (−8.1 to −10.6 kcal/mol) while adhering to Lipinski's rule and showing high gastrointestinal absorption. The 12 potential compounds were further characterized using density functional theory (DFT), simulated with GKRP-F1P complex in triplicate 200 ns molecular dynamics (MD) simulations, and calculated for their binding free energy using MM/GBSA. Principal component analysis (PCA) showed that some coffee ligands restrict the collective motion of GKRP, while the dynamic cross-correlation matrix (DCCM) revealed a strengthening of the motion correlation around the F1P binding site and the GK binding interface. Most of the ligands are strong electrophiles that interact with the key nucleophilic residue Glu153, stabilizing the bound configuration of F1P and lowering its binding energy. Overall, these results highlight coffee-derived polyphenols as promising GKRP inhibitors that can potentially maintain glucokinase activity and provide a basis for the development of coffee-based antidiabetic candidates.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"446 ","pages":"Article 129256"},"PeriodicalIF":5.2,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146035898","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":"Human serum albumin: Amyloid or amorphous aggregation? The influence of thiol status and ligand binding","authors":"Natalija Andrejević ,&nbsp;Predrag Petrović ,&nbsp;Sanja Stevanović ,&nbsp;Tomaž Urbič ,&nbsp;Natalija Polović","doi":"10.1016/j.molliq.2026.129290","DOIUrl":"10.1016/j.molliq.2026.129290","url":null,"abstract":"<div><div>Under destabilizing conditions, proteins are prone to misfold and aggregate into disordered amorphous aggregates or highly organized amyloid fibrils. Human serum albumin (HSA) is an abundant protein in human plasma and plays a key role in maintaining redox balance due to its high disulfide bond content. It also serves as a carrier for a great number of ligands, including fatty acids. Given its physiological importance, understanding HSA's aggregation behavior is crucial.</div><div>This study investigates how ligand binding and redox state influence HSA aggregation under destabilizing conditions. Prolonged thermal treatment in acidic conditions was applied to destabilize the protein and to compare aggregation type in ligand-saturated and ligand-free HSA, before and after mild reduction with dithiothreitol (DTT). Structural changes and aggregate formation were monitored using infrared spectroscopy, dynamic light scattering, atomic force microscopy, and fluorescent dye assays (Thioflavin T and 8-anilinonaphthalene-1-sulfonic acid). Our results showed that reduction did not significantly alter HSA's native structure but influenced its aggregation pathway. In reduced, ligand-free HSA, thermal treatment enhanced fibrillation potential, whereas in reduced ligand-saturated HSA, thermal treatment mainly resulted in amorphous aggregates. These findings suggest that the presence of ligands, especially under reduced conditions, shifts aggregation from amyloid fibrils to amorphous aggregates. To further confirm this, ligand-saturated HSA prepared with palmitic acid showed reduced fibrillation potential, supporting the hypothesis that ligand-presence along with free thiol content modulate aggregation behavior.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"446 ","pages":"Article 129290"},"PeriodicalIF":5.2,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146035961","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":"Effect of H/D isotope substitution on the structure-packing and interaction-related properties of water as a solute in tetramethylurea at T = (278.15 to 318.15) K and p = 0.1 MPa","authors":"Evgeniy V. Ivanov","doi":"10.1016/j.molliq.2026.129318","DOIUrl":"10.1016/j.molliq.2026.129318","url":null,"abstract":"<div><div>Densities of solutions of ordinary (H₂O) and heavy (D₂O) water in tetramethylurea (TMU) were measured with an uncertainty of ≤0.05 kg∙m⁻³ at <em>T</em> = (278.15, 288.15, 298.15, 308.15, and 318.15) K under ambient pressure using a precision densimeter equipped with the oscillating U-shaped tube. The solution molality, <em>m</em>, was ranged from (0.055 to 1.16) mol·(kg TMU)⁻¹ in both H/D isotopically distinguishable water-containing systems. Standard molar volumes, <span><math><msubsup><mover><mi>V</mi><mo>¯</mo></mover><mi>w</mi><mi>o</mi></msubsup><mfenced><mrow><mo>≡</mo><msubsup><mover><mi>V</mi><mo>¯</mo></mover><mi>w</mi><mo>∞</mo></msubsup></mrow></mfenced></math></span>, and isobaric expansibilities, <span><math><msubsup><mover><mi>E</mi><mo>¯</mo></mover><mrow><mi>p</mi><mo>,</mo><mi>w</mi></mrow><mi>o</mi></msubsup><mfenced><mrow><mo>≡</mo><msubsup><mover><mi>E</mi><mo>¯</mo></mover><mrow><mi>p</mi><mo>,</mo><mi>w</mi></mrow><mo>∞</mo></msubsup></mrow></mfenced></math></span>, for H₂O and D₂O as solutes in TMU were computed. The temperature-dependent behavior of the solute D₂O–H₂O isotope effects (IEs) in the standard (partial) volume properties of water in TMU was discussed taking account of structure-packing and interaction-related peculiarities of the solvation complex formed. The factors influencing the structure state of water H/D isotopologues dissolved in TMU were considered. Attention was also paid to correlations between the currently available IEs of interest for water-containing aprotic protophilic media including TMU and some interaction-related properties of the latter.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"446 ","pages":"Article 129318"},"PeriodicalIF":5.2,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146185185","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":"Photoactive thermotropic liquid crystal systems and asymmetric electrochemical polymerization","authors":"Aoi Tokutake,&nbsp;Hiromasa Goto","doi":"10.1016/j.molliq.2026.129295","DOIUrl":"10.1016/j.molliq.2026.129295","url":null,"abstract":"<div><div>Photoactive-chiral liquid crystal—a photoactive dopant, a chiral dopant, and a smectic C* (SmC*)–inducing dopant were developed. Upon UV irradiation, the liquid-crystal system transformed into an isotropic phase, which subsequently reverted to a liquid-crystal phase under visible (Vis) light. In other words, Vis light generated the mesophase. Electrochemical polymerization conducted in chiral nematic (cholesteric, N*), smectic A, and SmC* phases yielded aggregation-imprinted, electro-optically active conjugated polymers. Electrochemically driven changes in the optical activity of the resulting polymers were confirmed using circular dichroism optical absorption measurements.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"446 ","pages":"Article 129295"},"PeriodicalIF":5.2,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146074431","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":"Sustainable corrosion inhibition of aluminum in HCl using saffron petal extract: an integrated experimental and theoretical study","authors":"Mahboobeh Azadi ,&nbsp;Ali Balooch ,&nbsp;Amirhossein Hafazeh ,&nbsp;Seyed Mohsen Hosseini ,&nbsp;Mona Mohammadi","doi":"10.1016/j.molliq.2026.129286","DOIUrl":"10.1016/j.molliq.2026.129286","url":null,"abstract":"<div><div>This study investigates <em>saffron petal</em> extract (SPE) as an eco-friendly corrosion inhibitor for aluminum in 1 M HCl. Various tests, including electrochemical impedance spectroscopy, mass loss analysis, and Tafel polarization, were conducted to assess the corrosion behavior. The corroded samples were analyzed using field emission scanning electron microscopy (FESEM) and X-ray diffraction techniques. SPE demonstrated high efficiency, with a maximum of 86.7% from electrochemical tests and ∼ 90% from mass loss analysis at an optimal concentration of 0.6 g/L. Adsorption followed the Langmuir isotherm and was spontaneous, with a standard adsorption free energy (ΔG^°_ads) of −12.6 to −16.0 kJ mol⁻¹, indicating predominant physisorption. Surface analysis via FESEM confirmed a protective film formation at this concentration. Theoretical studies identified sophoraflavonoloside as a key active component, with a low HOMO-LUMO energy gap (Δ<em>E</em>_gap = 2.619 eV) facilitating strong adsorption. The results collectively establish SPE as an effective and sustainable corrosion inhibitor.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"446 ","pages":"Article 129286"},"PeriodicalIF":5.2,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146074520","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":"Exploring the effect of extremolytes on thermal and colloidal stability of bovine serum albumin","authors":"Anasuya Patil ,&nbsp;Tanu Rawal ,&nbsp;Akhtar Rasool ,&nbsp;Atul Singh ,&nbsp;Omar Awad Alsaidan ,&nbsp;Sami I. Alzarea ,&nbsp;Chandan Mukherjee ,&nbsp;Juhikaben Vaibhavkumar Patel ,&nbsp;Debashis Purohit ,&nbsp;Shiv Bahadur ,&nbsp;Rajat Garg ,&nbsp;Amin Gasmi","doi":"10.1016/j.molliq.2026.129300","DOIUrl":"10.1016/j.molliq.2026.129300","url":null,"abstract":"<div><div>Proteins in aqueous solutions behave as complex molecular liquids whose conformational and colloidal stability are governed by solvent-mediated interactions and thermodynamic balance between folded and unfolded states. In this study, the effect of two extremolytes, betaine and ectoine, on the structural and colloidal stability of bovine serum albumin were investigated under acidic and thermal stress conditions. Circular dichroism, fluorescence spectroscopy, dynamic light scattering, and high-sensitivity differential scanning calorimetry were employed to probe conformational changes, aggregation behavior, and unfolding thermodynamics. Extremolytes can modify hydration structure and intermolecular forces, thereby altering protein phase behavior under stress conditions. They led to enhanced thermal stability, suppression of aggregation, and shifts in unfolding transitions, indicating solvent-driven stabilization. These effects are interpreted in terms of preferential exclusion, hydration shell modulation, highlighting the role of solvent structure in governing protein behavior in aqueous molecular liquids. The results demonstrate that extremolyte-induced stabilization arises primarily from preferential exclusion and solvent reorganization rather than direct protein–cosolute interactions.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"446 ","pages":"Article 129300"},"PeriodicalIF":5.2,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146074523","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":"Green Corrosion Inhibitors for Copper Protection: Advances in Experimental and Theoretical Research","authors":"Yuhang Li ,&nbsp;Pengyu Cai ,&nbsp;Hongxu Shi ,&nbsp;Jiajun Feng ,&nbsp;Zhongyi He ,&nbsp;Yonggang Wang ,&nbsp;Xiangqiong Zeng","doi":"10.1016/j.molliq.2026.129301","DOIUrl":"10.1016/j.molliq.2026.129301","url":null,"abstract":"<div><div>Copper and its alloys are widely used in electronics, new energy and aerospace applications due to their superior electrical and thermal conductivity and mechanical properties. However, their susceptibility to corrosion in aggressive environments limits the application reliability. Although chromate-based passivation is highly effective, it is harmful to both the environment and human health. This review systematically evaluates recent advances in green copper corrosion inhibitors from experimental and theoretical perspectives. The copper corrosion inhibitors are categorized into inorganic (e.g. molybdates, phosphates, tungstates, rare earth, carbon quantum dots), organic (e.g. nitrogen-containing heterocyclic, sulfur-containing and novel structure compounds, natural plant extracts, expired pharmaceuticals) and organic-inorganic composite (e.g. graphene, SiO₂ composites, nanocontainers) systems. Based on the analysis of experimental research results, it is found that they demonstrate enhanced protection through optimized molecular structures, synergistic formulations, multilayer films, and nanocontainer-enabled controlled release. Surface hydrophobic modification further improves performance under harsh conditions. Theoretically, density functional theory, molecular dynamics and adsorption isotherm model analysis reveal that high-efficiency inhibitors typically exhibit energy gaps of 4.00-6.00 <em>eV</em>, dipole moments of 2.00-6.00 <em>Debye</em>, and adsorb parallel to the Cu surface via heteroatoms (N, O, S etc.) with adsorption energies of -800 to -100 <em>kJ/mol</em>. Adsorption generally follows the Langmuir model, combining physical and chemical mechanisms with a dominance of chemisorption. These insights establish structure-performance relationships and guide the rational design of green, high-efficiency inhibitors. Future efforts should focus on scalable synthesis, long-term stability, AI-assisted material discovery, and sustainable engineering solutions.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"446 ","pages":"Article 129301"},"PeriodicalIF":5.2,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146074570","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":"Effect of particle size and surface linkers of SiO2 nanoparticles on the efficiency of human tyrosine hydroxylase","authors":"Noémi Péli ,&nbsp;Zsófia Molnár ,&nbsp;Gergő D. Tóth ,&nbsp;Zsolt Lőrincz ,&nbsp;Gábor Katona ,&nbsp;Beáta G. Vértessy ,&nbsp;Diána Balogh-Weiser","doi":"10.1016/j.molliq.2026.129299","DOIUrl":"10.1016/j.molliq.2026.129299","url":null,"abstract":"<div><div>Tyrosine hydroxylase (hTH) catalyzes the conversion of <span>l</span>-tyrosine to <span>l</span>-DOPA, the rate-limiting step in dopamine biosynthesis. As impaired hTH function is implicated in dopamine-related neurodegenerative disorders, conventional therapies relying on <span>l</span>-DOPA supplementation often cause adverse side effects. In this study, we investigate the immobilization of recombinant hTH onto silica nanoparticles (SNPs) as a molecularly engineered platform for enzyme replacement therapy (ERT) via intranasal administration. Recombinant GST-tagged hTH was expressed in <em>E. coli</em> with high yield and purity, while SNPs were synthesized with controlled size distribution and surface functionalization to enable efficient ionic binding. Immobilization efficiencies exceeding 70% were achieved. Dynamic light scattering and ζ-potential measurements confirmed enhanced colloidal stability and a reduction in protein aggregation upon immobilization. Enzymatic assays based on dopachrome formation demonstrated that catalytic activity was preserved post-immobilization. Collectively, these findings highlight SNP-based immobilization as a promising liquid-phase nanobiotechnological approach, offering a stable and non-invasive therapeutic platform for dopamine-related pathologies.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"446 ","pages":"Article 129299"},"PeriodicalIF":5.2,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146074586","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":"A comparative computational study of the action of various anticonvulsant drugs upon monomeric form of bacterial sodium channel (NavMs), homolog of human voltage-gated sodium channels","authors":"Umesh Yadava ,&nbsp;Shivani Negi ,&nbsp;Pratima Vishwakarma","doi":"10.1016/j.molliq.2026.129255","DOIUrl":"10.1016/j.molliq.2026.129255","url":null,"abstract":"<div><div>Epilepsy is a chronic neurological disorder that affects more than 50 million people globally and is characterized by recurrent seizures arising from abnormal neuronal activity. The primary therapeutic objective in epilepsy management is to achieve effective seizure control using safe and potent anticonvulsant agents. In this study, a comparative computational investigation was conducted on 18 selected anticonvulsants, including cannabidiol (CBD), to explore their molecular binding behavior with the bacterial sodium channel NavMs, which shares significant structural similarity with human Nav1 isoforms. Molecular docking, molecular dynamics (MD) simulations, and MM-GBSA free energy calculations were employed to analyze drug–channel interactions and binding energetics. All 18 anticonvulsant drugs were initially screened through docking at the pore domain of the NavMs channel, and the top three compounds, cannabidiol, lacosamide, and carbamazepine, were further evaluated using 300 ns MD simulations to account for receptor flexibility and induced-fit effects. The analyses revealed that CBD demonstrated comparable binding affinity and structural stability to standard anticonvulsants within the dynamic sodium channel environment, indicating a potential similar mechanism of sodium channel modulation. Incorporation of the POPC lipid bilayer enhanced ligand–channel interactions, highlighting the influence of the membrane environment on complex stabilization. Overall, this study provides molecular-level insights into the mechanism of anticonvulsant action and underscores the effectiveness of computational approaches in guiding rational drug design for epilepsy therapeutics.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"446 ","pages":"Article 129255"},"PeriodicalIF":5.2,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146035903","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 and characterization of carboxylate functionalized graphene oxides (GO-CAA, GO-CPA & GO-CBA) for removing Cr from contaminated water","authors":"ANM Al-razee ,&nbsp;Jae Uk Yoon ,&nbsp;Mir Tamzid Rahman ,&nbsp;Md Nurul Abser ,&nbsp;Jin Woo Bae ,&nbsp;Namjun Cho","doi":"10.1016/j.molliq.2026.129263","DOIUrl":"10.1016/j.molliq.2026.129263","url":null,"abstract":"<div><div>Graphene oxide (GO) has been chemically functionalized with chloroacetic acid, 3-chloropropionic acid, and 4-chlorobutyric acid, to produce carboxyl-functionalized adsorbents GO-CAA, GO-CPA, and GO-CBA, respectively, for the effective removal of Cr ions from aqueous media. These adsorbents were thoroughly characterized by FT-IR, Raman, XRD, TGA, and SEM analyses. Batch adsorption experiments were conducted to evaluate the effects of pH, contact time, initial Cr concentration, adsorbent dosage, and temperature on the adsorption of Cr ions by GO-CAA, GO-CPA, and GO-CBA adsorbents under various conditions. Maximum Cr removal was observed at pH 1, with GO-CBA showing superior adsorption efficiency (98.7% at 25 mg/L, 0.01 g dosage), followed by GO-CPA (98.0%) and GO-CAA (96.3%). At 50 mg/L, complete Cr removal (100%) was achieved within 4 h using 0.015 g of each adsorbent. The adsorption process followed pseudo-second order kinetics, indicating chemisorption, and thermodynamic analysis confirmed the process as spontaneous and endothermic. The adsorption capacity values fitted well with the Langmuir isotherm, and the experimentally determined maximum capacities were 79.43 mg/g (GO-CBA), 71.02 mg/g (GO-CPA), and 50.58 mg/g (GO-CAA), closely matching the calculated values. GO-CBA exhibited the highest enthalpy and entropy changes, suggesting stronger interaction with Cr. Reusability tests demonstrated excellent regeneration performance and structural stability. Additionally, GO-CAA was effective in removing Cr(III) at pH 3. These results highlight the potential of carboxyl-functionalized GO materials, particularly GO-CBA, as efficient, stable, and reusable adsorbents for the removal of Cr from wastewater. This study opens avenues for further chemical tuning of GO-based materials for broader environmental remediation applications.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"446 ","pages":"Article 129263"},"PeriodicalIF":5.2,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146035964","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}