Journal of the Iranian Chemical Society最新文献

{"title":"Biochar/steel slag composite derived from solid waste for rhodamine b degradation via singlet oxygen-dominated process driven by visible light-activated peroxymonosulfate","authors":"Caigui Luo,&nbsp;Peijun Li,&nbsp;Xingyue Deng,&nbsp;Qingqing Zhao,&nbsp;Yin Liu,&nbsp;Minghui Jiang,&nbsp;Qiqi Pan,&nbsp;Yuwan He,&nbsp;Zishuai Liu,&nbsp;Xianping Luo","doi":"10.1007/s13738-026-03644-2","DOIUrl":"10.1007/s13738-026-03644-2","url":null,"abstract":"<div><p>A novel biochar/steel slag composite (SSBC) was developed via co-pyrolysis of steel slag and orange peel for visible-light-assisted peroxymonosulfate (PMS) activation to degrade Rhodamine B (RhB). The optimized SSBC-800 exhibited a high specific surface area (191.79 m² g⁻¹) and abundant functional groups, achieving complete degradation of 20 mg/L RhB within 10 min with 52% TOC removal. The system maintained high efficiency across pH 3–11 and demonstrated strong tolerance to common anions. Mechanistic studies revealed that singlet oxygen (¹O₂) contributed over 90% to the degradation, originating from synergistic electron transfer between quinone groups on biochar and the photo-accelerated Fe³⁺/Fe²⁺ cycle from steel slag. And minor contributions from photogenerated holes (h⁺) and radicals (such as SO₄•^⁻ and •OH). Effective RhB removal under natural sunlight highlights its practical potential. This work provides a sustainable non-radical oxidation pathway for dye wastewater treatment and a novel approach for solid waste valorization.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 10","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149133379","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Spectroscopic and computational assessment of ammonium lauryl sulphate binding to bovine serum albumin","authors":"Gunjan Kaushal,&nbsp;Anu Radha Pathania,&nbsp;Renu Sharma,&nbsp;Neha Govind Rao,&nbsp;Parikshit Saini","doi":"10.1007/s13738-026-03651-3","DOIUrl":"10.1007/s13738-026-03651-3","url":null,"abstract":"<div><p>The surfactant-serum albumin interaction is important with respect to drug delivery, protein stability and formulation science. Bovine serum albumin (BSA) is used as a model protein to observe the complexation in conjugation with anionic surfactant, ammonium lauryl sulphate (ALS), due to its resemblance to human serum albumin (HSA). The intermolecular interactions between BSA and ALS were studied using techniques including UV-visible spectroscopy, fluorescence spectroscopy and molecular docking. The spectroscopic techniques were employed to evaluate the binding behavior and conformational changes in BSA, while molecular docking provided detailed insights into the binding sites. The red shift and hyperchromic absorbance effect during the reaction of ALS toward BSA, as characterized by UV–Visible absorption spectroscopy, resulted from aromatic amino acid residues in the microenvironment of BSA. A hypochromic shift was observed for the fluorescence emission spectra. The fluorescence quenching method was used to calculate the Stern–Volmer quenching constant and thermodynamic parameters. Molecular docking analysis revealed that ALS interacts with subdomain IIIA of BSA via hydrogen bonds with the amino acid. The results demonstrate that ALS interacts effectively with BSA, leading to measurable alterations in the protein’s structure and physicochemical properties.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 10","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149133347","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"DFT and molecular docking investigations of metformin interactions with spermine oxidase","authors":"Ahmed M. Sadoon,&nbsp;Omar Y. Al-Abbasy","doi":"10.1007/s13738-026-03648-y","DOIUrl":"10.1007/s13738-026-03648-y","url":null,"abstract":"<div><p>This study used DFT and molecular docking calculations, in combination with in vitro examinations, to explore the interaction between Metformin (MET) and Human Spermine Oxidase (SMOX). The crystal structure of SMOX (7OXL) was obtained from the Protein Data Bank. Five bioactive compounds derived from Metformin were used to analyze the binding interactions with 7OXL protein and to explore additional information on the structure-activity relationship. DFT calculations were used to obtain the optimized structures of the target compounds at the B3LYP/ 6-311G(d, p) level of theory. Molecular docking calculations show that MET exhibits a significant binding score of -5.8 kcal.mol^− 1 by forming three hydrogen bonds in the active site of SMOX. Experimentally, UV spectrophotometric results confirmed these computational estimates and showed that MET can successfully inhibit SMOX activity with an <i>IC50</i> of 16 × 10^− 4 M. Furthermore, the kinetic analysis demonstrated a competitive inhibition mechanism, supported by an increase in <i>Km</i> from 126.58 to 263.15 mM, while Vmax remained constant at 0.108 U/ml. The use of both theoretical and experimental evaluations showed that MET is a competitive inhibitor of SMOX, providing valuable information on the structure-activity relationship for future drug design.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 10","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149133380","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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 polyaniline composite incorporated with TiO2 nanoparticles for enhancement of antibacterial activity","authors":"Shailesh P. Tiwari,&nbsp;A. P. Deshmukh,&nbsp;A. V. Tiwari,&nbsp;S. P. Yawale","doi":"10.1007/s13738-026-03647-z","DOIUrl":"10.1007/s13738-026-03647-z","url":null,"abstract":"<div><p>In this study, pristine polyaniline (PANI) and PANI–TiO₂ nanocomposites containing different amounts of TiO₂ were synthesized by chemical oxidative polymerization using aniline as the monomer and ammonium persulfate as the oxidizing agent. The structural, functional and optical properties of the prepared materials were investigated using X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR) and UV–visible spectroscopy. XRD confirmed the presence of crystalline anatase TiO₂ within the semicrystalline PANI matrix, while FTIR indicated interfacial interactions between PANI functional groups and TiO₂ surface sites. UV–visible analysis showed a gradual change in the optical response with increasing TiO₂ content. The antibacterial activity was evaluated against Gram-positive Staphylococcus aureus and Gram-negative Escherichia coli using the agar disc-diffusion method. Among the investigated PANI–TiO₂ composites, the PT5 sample exhibited the largest observed inhibition-zone diameters under the experimental conditions used. Because the antibacterial measurements were obtained from a single experimental determination for each sample, the reported inhibition zones are treated as comparative observations rather than statistically validated mean values. The results demonstrate that TiO₂ incorporation modifies the structural, spectroscopic and antibacterial characteristics of PANI, with the response depending on TiO₂ loading.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 10","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149133386","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"From invasive aquatic biomass to high-efficiency adsorbent: valorization of duckweed into KOH-activated biochar for rapid dye remediation","authors":"Sriniya Letchiminan,&nbsp;Keeren Sundara Rajoo,&nbsp;Tan Toh Hii,&nbsp;Kelly Wong Kai Seng,&nbsp;Eric Lim Teik Chung,&nbsp;Yoshito Andou,&nbsp;Alvin Lim Teik Zheng","doi":"10.1007/s13738-026-03641-5","DOIUrl":"10.1007/s13738-026-03641-5","url":null,"abstract":"<div><p>Dye-contaminated wastewater from textile and related industries poses persistent risks to aquatic ecosystems and water quality. This study evaluated KOH-activated duckweed-derived biochar (BC) prepared at 500 °C and 700 °C, denoted as 500CDW and 700CDW, for the adsorptive removal of methylene blue (MB) from aqueous solution. The adsorbents were prepared by carbonization followed by potassium hydroxide (KOH) activation and characterized using Fourier-transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM), and point of zero charge (pH_pzc) analysis. Batch adsorption experiments examined the effects of initial MB concentration, contact time, solution pH, adsorbent dosage, and temperature. Among the tested materials, 500CDW showed faster MB uptake than 700CDW and was selected for subsequent adsorption studies. The pH_pzc of 500CDW was 6.79, indicating that electrostatic attraction contributed to the enhanced uptake of cationic MB under alkaline conditions. Nonlinear kinetic analysis showed that the pseudo-first-order (PFO) model provided the best overall fit across the investigated MB concentrations, although fitting error increased at 20 mg/L, indicating more complex adsorption behaviour at higher dye loading. The nonlinear equilibrium data were best described by the Temkin model, followed closely by the Langmuir model. Thermodynamic analysis suggested spontaneous and endothermic adsorption within the studied temperature range. A preliminary laboratory-scale cost analysis estimated the production cost of 500CDW at RM 3.13 g^− 1. Overall, 500CDW showed promise as a low-cost duckweed-derived adsorbent for MB removal, although further textural characterization, regeneration testing, and real-water validation are needed to confirm its practical applicability.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 10","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149133326","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Green synthesis of acetylacetone-thiadiazole-based schiff base and its application in amino acid recognition","authors":"Yuting Liu,&nbsp;Haoyu Wang,&nbsp;Dawei Yin,&nbsp;Guipeng Wei,&nbsp;Dantong Zhang,&nbsp;Jiake Zhu","doi":"10.1007/s13738-026-03640-6","DOIUrl":"10.1007/s13738-026-03640-6","url":null,"abstract":"<div><p>Tryptophan, as an essential amino acid for humans, participates in the synthesis of key neurotransmitters and metabolic regulators such as serotonin and melatonin. Metabolic abnormalities of tryptophan are closely associated with depression, Alzheimer’s disease, diabetes mellitus, and various immune-related disorders. Therefore, the development of efficient and highly selective tryptophan detection probes holds significant biological and clinical importance. In this study, an acetylacetone thiadiazole-based Schiff base probe was synthesized, and its fluorescence response performance was systematically investigated. The results demonstrated that the probe exhibits excellent selective recognition capability for tryptophan, with stable fluorescence signal within 80 min and effective detection across a pH range of 7–12. The binding stoichiometry between the probe and tryptophan was determined to be 1:1, with a binding constant of 1.25 × 10⁷ M^− 1 and a detection limit of 2.6994 × 10^− 5 M. The probe features rapid response, high selectivity, and ease of operation, showing great promise for the rapid detection of tryptophan in biological samples.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 10","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149133029","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhanced photocatalytic degradation of methylene blue and methyl green using iron doped zinc oxide nanoparticles impregnated with graphitic carbon nitride","authors":"Muhammad Asim Farid,&nbsp;Muhammad Fiaz,&nbsp;Ammara Shabbir","doi":"10.1007/s13738-026-03639-z","DOIUrl":"10.1007/s13738-026-03639-z","url":null,"abstract":"<div><p>It is well known that the broadened light absorption ability of semiconductors and formation of heterojunction between them enhances their photocatalytic properties by decreasing the e⁻/h⁺ recombination. The graphitic carbon nitride (g-C₃N₄) along with embedded metal oxide nanoparticles is a very promising for this purpose. Moreover, the porous nature of graphitic carbon nitride helps in removal of organic pollutants from wastewater through adsorption of. Herein, the Zn_0.98Fe_0.02O nanoparticles which were synthesized by green synthesis route were embedded in graphitic carbon nitride to get Zn_0.98Fe_0.02O/g-C₃N₄ nanocomposite. The samples were characterized using different analytical techniques. The Zn_0.98Fe_0.02O, g-C₃N₄ and Zn_0.98Fe_0.02O/g-C₃N₄ exhibit a direct band gap <i>E</i>_<i>g</i> of 2.75 eV, 2.65 eV and 2.68 eV respectively. The adsorption and photocatalytic degradation activities against methylene blue (MB) and methyl green (MG) dyes using synthesized samples were studied by monitoring the removal of dyes under dark and visible light. It was found that the Zn_0.98Fe_0.02O/g-C₃N₄ nanocomposite showed good adsorption capacity of organic dyes due to its porous nature. Furthermore, the Zn_0.98Fe_0.02O/g-C₃N₄ nanocomposite depicted an excellent photocatalytic activity towards degradation of dyes and under solar irradiation. The Zn_0.98Fe_0.02O/g-C₃N₄ nanocomposite removed about 98% of MB and 95% of MG in just 60 min. The composite Zn_0.98Fe_0.02O/g-C₃N₄ shoed the highest rate constant values for the photocatalytic degradation of MB and MG which are 0.06094 and 0.0246 respectively. The formation of heterojunction between Zn_0.98Fe_0.02O and g-C₃N₄ generated the superoxide and hydroxyl radicals which elevated the degradation activity under light. Graphical abstract.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 10","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149133036","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Inclusion of organic adducts into the solid matrix of λ-zirconium phosphate using Diels–Alder reaction as a powerful synthetic tool","authors":"Hussein Alhendawi,&nbsp;Ernesto Brunet,&nbsp;Elena Rodríguez Payán","doi":"10.1007/s13738-026-03646-0","DOIUrl":"10.1007/s13738-026-03646-0","url":null,"abstract":"<div><p>In this research stufdy, a carboxylated dienophile (acrylic acid) was anchored onto the surface of lambda-zirconium phosphate (λ-ZrP) via a topotactic Cl⁻/carboxylate ligand exchange, yielding a new stable λ-ZrP-acrylate phase (λ-ZrP-ac), [ZrPO₄(OH)_0,52(CH₂=CHCOO)_0,48(CH₃)₂SO]. Subsequently, a Diels–Alder reaction between the anchored acrylate ligands and cyclopentadiene was carried out inside the interlayer region of λ-ZrP. This process successfully produced a new organic–inorganic hybrid material (λ-ZrP-add) featuring an organic adduct covalently bonded to the inorganic layers, formulated as [λ-ZrPO₄(OH)_0,52(CH₂=CHCOO)_0,2(C₈H₉O₂)_0,28(CH₃)₂SO]. The prepared samples were characterized using elemental analysis, X-ray powder diffraction, liquid ¹³C-NMR, solid ³¹P-NMR, FT-IR, and TGA.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 10","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149133027","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ultrathin immobilized biofilm of grafted chitosan-benzaldehyde with high performance for acid red 88 dye removal: adsorption optimization and mechanism investigation","authors":"Ali H. Jawad","doi":"10.1007/s13738-026-03626-4","DOIUrl":"10.1007/s13738-026-03626-4","url":null,"abstract":"<div><p>Herein, grafted chitosan-benzaldehyde (CHS-BD) biofilm was immobilized onto a glass plate to be superior adsorbent for Acid Red 88 dye (AR88). The key adsorption factors including <b>A</b>: [AR88] (20–60 mg/L), <b>B</b>: pH (4–10), <b>C</b>: temperature (30–50 °C), and <b>D</b>: contact time (20–540 min) were optimized using Box-Behnken design (BBD) and desirability function approach. The desirability function result shows the best actual removal (92.8%) of AR88 can be observed at the following optimal conditions: [AR88] concentration = 40 mg/L, solution pH = 4.1, working temperature 30 °C, and contact time = 537.5 min. The adsorption kinetics of AR88 uptake by CHS-BD were well described by the pseudo-second order (PSO) model. Furthermore, the adsorption isotherm was well described by Langmuir and Freundlich isotherm models which indicate monolayer and multilayers AR88 dye adsorption occurred onto CHS-BD surface.The maximum adsorption capacity of immobilized CHS-BD biofilm towards AR88 was found to be of 808.9 mg/g at 30 °C. The loading of AR88 dye molecules onto the surface of CHS-BD biofilm can be assigned to the electrostatic forces, n-π interactions, π-π stacking, and hydrogen bonding. The finding of this research work demonstrates that the immobilization of grafted CHS-BD biofilm onto solid support will offer a promising application for effective removal of anionic azo dye without the need of filtration process.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 10","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149035171","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Insights into the mechanism of copper phthalocyanine wetting by water and alcohols: a combined DFT and experimental study","authors":"Andrey A. Degtyarev","doi":"10.1007/s13738-026-03642-4","DOIUrl":"10.1007/s13738-026-03642-4","url":null,"abstract":"<div><p>An integrated approach combining density functional theory modeling and experimental studies of surface wettability with dilute alcohol solutions was used to study the mechanism of interaction of water and alcohols with the copper phthalocyanine surface. Non-covalent interactions in the sorbate–sorbent complexes on the copper phthalocyanine surface were investigated. The sorption of water, methanol, and ethanol molecules from an aqueous solution was simulated using the r²SCAN-3c composite method and the SMD implicit solvent model. The calculations revealed that all studied sorbates (water, methanol, and ethanol) form coordination bonds with surface copper atoms via a predominantly electrostatic mechanism. Hydrogen bonding with the surface nitrogen atoms exhibits a mixed nature: it occurs via an electrostatic mechanism for water, whereas it involves orbital exchange for alcohols. Although the enthalpy of adsorption decreases monotonically in the series H₂O → CH₃OH → C₂H₅OH, the standard Gibbs free energy of adsorption, in contrast, increases when moving from water to alcohols. Thus, the improvement in wettability cannot be attributed to an increase in the thermodynamic affinity of the sorbate for the surface. Instead, the wetting effect of ethanol is governed by a reduction in solution surface tension, with the work of adhesion remaining constant (W_A = 65.8 mN/m) at low concentrations (x ≤ 0.0064). The intrinsic contact angle of CuPc with pure water was determined to be θ_int = 94.8°. Complete wetting at x = 0.04 is attributed to morphological effects – liquid penetration into interparticle pores and film spreading – along with possible changes in adsorption thermodynamics.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 10","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149035159","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}