{"title":"Enhanced Cr(VI) photoreduction in water using TiO2/CuWO4 photocatalytic coating","authors":"Hamed Bahramian , Arash Fattah-alhosseini , Minoo Karbasi , Burak Dikici , Mosab Kaseem","doi":"10.1016/j.matchemphys.2026.132194","DOIUrl":"10.1016/j.matchemphys.2026.132194","url":null,"abstract":"<div><div>This study presents the rational design of a TiO<sub>2</sub>/CuWO<sub>4</sub> heterostructure coating fabricated on a titanium substrate, where a TiO<sub>2</sub> layer was first formed via plasma electrolytic oxidation (PEO), followed by the hydrothermal growth of CuWO<sub>4</sub> nanoparticles, resulting in outstanding Cr(VI) photoreduction performance. This study reports the rational design of a hydrothermally post-treated PEO-derived TiO<sub>2</sub>/CuWO<sub>4</sub> heterostructure coating with exceptional Cr<sup>6+</sup> photoreduction activity. Comprehensive characterization (FE-SEM/EDS, XRD, AFM, UV–Vis DRS, PL, and Mott–Schottky analysis) revealed that hydrothermal CuWO<sub>4</sub> integration induces: (i) a microporous TiO<sub>2</sub> base layer supporting a hierarchical structure with uniformly distributed CuWO<sub>4</sub> particles; (ii) the formation of a Type-II heterojunction that facilitates efficient e<sup>−</sup>/h<sup>+</sup> separation; and (iii) a super hydrophilic surface with enhanced roughness, improving reactant accessibility. Furthermore, the influence of scavengers was systematically investigated, confirming the critical roles agents (<span><math><mrow><msup><mi>e</mi><mo>−</mo></msup></mrow></math></span>, <span><math><mrow><mmultiscripts><msub><mi>O</mi><mn>2</mn></msub><mprescripts></mprescripts><none></none><mn>1</mn></mmultiscripts></mrow></math></span>, <span><math><mrow><msup><mrow><mi>H</mi><mi>O</mi></mrow><mo>⦁</mo></msup></mrow></math></span>, and <span><math><mrow><msubsup><mi>O</mi><mn>2</mn><mrow><mo>⦁</mo><mo>−</mo></mrow></msubsup></mrow></math></span>). Among scavengers, oxalic acid and potassium persulfate exhibited pronounced contributions by enhancing hole- and electron-driven pathways. A mechanism, combining heterojunction-driven charge transfer is proposed, providing a scalable and durable photocatalytic coating solution for heavy-metal remediation.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"354 ","pages":"Article 132194"},"PeriodicalIF":4.7,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146191624","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Tunable semiconducting organotin(IV) complexes as single-source precursors for controlled α-SnS nanostructure synthesis","authors":"Rajesh Pratap, Subrato Bhattacharya","doi":"10.1016/j.matchemphys.2026.132154","DOIUrl":"10.1016/j.matchemphys.2026.132154","url":null,"abstract":"<div><div>Four organotin(IV) complexes (<strong>1</strong>–<strong>4</strong>) were synthesized by reacting various organotin precursors with the sodium salt of S-thiobenzoylthioglycolate, allowing structural variation through different alkyl or aryl substituents and stoichiometric ratios. Single-crystal X-ray diffraction revealed distinct architectures: complex 1 formed a one-dimensional polymeric chain; complexes <strong>2</strong> and <strong>3</strong> adopted ladder-like structures; and complex <strong>4</strong> exhibited a skew-trapezoidal bipyramidal geometry. Spectroscopic analyses (<sup>1</sup>H, <sup>13</sup>C, <sup>119</sup>Sn NMR, and IR) corroborated the crystallographic findings. Impedance spectroscopy was used to investigate the electrical properties of complexes <strong>1</strong>–<strong>3.</strong> The undoped complexes displayed very low conductivity due to the lack of mobile charge carriers, with complex <strong>3</strong> showing the highest among them. Upon iodine doping, conductivity increased significantly through charge carrier generation by oxidation, with complex <strong>1</strong> exhibiting the highest conductivity in the doped state, likely owing to its retained planar structure. AC conductivity analysis indicated a correlated hopping conduction mechanism. Furthermore, pyrolysis of the complexes under controlled conditions yielded tin sulfide nanomaterials; complexes <strong>2</strong>–<strong>4</strong> produced phase-pure α-SnS, whereas complex <strong>1</strong> afforded mixed tin sulfides. The resulting materials were characterized by PXRD, SEM, HRTEM, and complementary techniques. These findings establish clear structure–property correlations and highlight the potential of organotin(IV) complexes as tunable precursors for semiconducting SnS nanomaterials.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"354 ","pages":"Article 132154"},"PeriodicalIF":4.7,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146191536","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Musa Çadırcı , Yasemin Gündoğdu Kabakcı , Hamdi Şükür Kılıç
{"title":"Zn doped CsPb(Br/Cl)3 nonlinear optical limiting response BY FS laser Z-scanning","authors":"Musa Çadırcı , Yasemin Gündoğdu Kabakcı , Hamdi Şükür Kılıç","doi":"10.1016/j.matchemphys.2026.132183","DOIUrl":"10.1016/j.matchemphys.2026.132183","url":null,"abstract":"<div><div>In this study, nonlinear optical (NLO) properties of CsPb(Cl/Br)<sub>3</sub> perovskite quantum dots (PQDs) and Zn doped CsPb(Cl/Br)<sub>3</sub> PQDs was systematically investigated, discovering its potential for advanced NLO devices. Initially samples were synthesized and characterised using UV-Vis, photoluminescence (PL), and TEM method. Next, open and closed aperture Z-scan experiments and optical limiting evaluations were carried out under varying excitation conditions. We measured that nonlinear absorption (β), nonlinear refractive (n<sub>2</sub>) indices and third-order nonlinear susceptibility (χ<sup>3</sup>) for CsPb(Cl/Br)<sub>3</sub> PQDs to be on the orders of 10<sup>−11</sup> cm/W, 10<sup>−16</sup> cm<sup>2</sup>/W and 10<sup>−14</sup> esu, respectively. Interestingly, it has been observed that the NLO properties of Zn -doped samples beings prominent considerably compared to undoped samples, with the rate of increasing as the Zn content. The results show that CsPb(Cl/Br)<sub>3</sub> PQDs are remarkable material for applications on the next-generation NLO devices.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"354 ","pages":"Article 132183"},"PeriodicalIF":4.7,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146191694","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Hamna Arooj , Tauseef Munawar , Ambreen Bashir , Mostafa A. Ismail , Abdul Waheed Rabbani , Muhammad Rafaqat , Faisal Mukhtar , Muhammad Sufyan Naeem , Faisal Iqbal , Suleyman I. Allakhverdiev
{"title":"Controlled synthesis of sulfurization-assisted MnSeO3/S electrocatalyst for OER and HER in an alkaline medium","authors":"Hamna Arooj , Tauseef Munawar , Ambreen Bashir , Mostafa A. Ismail , Abdul Waheed Rabbani , Muhammad Rafaqat , Faisal Mukhtar , Muhammad Sufyan Naeem , Faisal Iqbal , Suleyman I. Allakhverdiev","doi":"10.1016/j.matchemphys.2026.132162","DOIUrl":"10.1016/j.matchemphys.2026.132162","url":null,"abstract":"<div><div>The production of green hydrogen by electrocatalytic water splitting is important for decreasing the extensive utilization of carbonized petroleum. However, the sluggish kinetics of OER and HER processes demand suitable catalysts that have high efficiency/performance and low cost. Herein, we synthesized the MnSeO<sub>3</sub> electrocatalyst using the hydrothermal method, but non-surface chemistry, limited active centres, and poor electrical conductivity made it an inefficient electrocatalyst for hydrogen production. These drawbacks are reduced by adopting a composite strategy with non-metal sulfide (MnSeO<sub>3</sub>/S composite) and analysing its electrochemical trend towards OER and HER. Experimental investigation, including XRD, FESEM, IV, and XPS, focused on mixed-phase growth, good conductivity, regulated morphology, and electronic structure. Developing high valence active centres and defective structure in MnSeO<sub>3</sub>/S composite increased the adsorption and desorption of atoms on the catalyst surface compared to bulk catalysts. By coating the composite onto the stainless-steel (SS) substrate, the formed MnSeO<sub>3</sub>/S/SS electrocatalyst obtained a small overpotential of 248 mV for OER and 128 mV for HER at 10 mA cm<sup>−2</sup> current density. Moreover, the functionalization of bimetallic oxide with sulfide anions provided a fast electron and ion transfer rate, which is confirmed by low Tafel slope values (48.1 mV dec<sup>−1</sup> for OER and 72 mV dec<sup>−1</sup> for HER). The interaction across cation-anion bonds induced an active large surface area and the lowest polarization resistivity, confirmed by ECSA and EIS. Moreover, the enormous stability of MnSeO<sub>3</sub>/S electrocatalyst in alkaline medium proved beneficial for developing other binary material/anion electrocatalysts towards future electrochemical applications.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"354 ","pages":"Article 132162"},"PeriodicalIF":4.7,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146191920","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Kiran M. Lalge , Malhari C. Nagtilak , Sandip N. Labade , Vidyarani S. Patil , Nilesh J. Khengare , Shakuntala S. Sawant , Ranjana K. Jadhav
{"title":"Effluent treatment using powdered silk: Spectroscopic and molecular docking insights into malachite green oxalate adsorption","authors":"Kiran M. Lalge , Malhari C. Nagtilak , Sandip N. Labade , Vidyarani S. Patil , Nilesh J. Khengare , Shakuntala S. Sawant , Ranjana K. Jadhav","doi":"10.1016/j.matchemphys.2026.132193","DOIUrl":"10.1016/j.matchemphys.2026.132193","url":null,"abstract":"<div><div>The study examined the adsorption of Malachite Green (MG) Oxalate onto powdered silk under optimized conditions of pH 8, a contact time of 60 s, and a temperature of 30 °C. Desorption was successfully achieved at pH 2. The study evaluated the effects of pH, contact time, powdered silk particle size, temperature, adsorbent dosage, and adsorbate concentration, as well as dye recovery performance. The maximum adsorption capacity was 23.41 mg g<sup>−1</sup>, with 99% removal efficiency under optimal conditions. Kinetic data followed the pseudo-second-order model (R<sup>2</sup> = 0.9999), while equilibrium data were best fitted by the Langmuir isotherm (R<sup>2</sup> = 0.9958). Thermodynamic analysis revealed that the adsorption process was spontaneous (ΔG = −1.495 kJmol<sup>-1</sup>), endothermic (ΔH = 25.32 kJmol<sup>-1</sup>), and accompanied by increase in entropy ΔS = 84.44 Jmol<sup>−1</sup>K<sup>−1</sup>). Molecular docking identified π-cation and π-π stacking interactions between MG and specific amino acid residues, supported by FT-IR evidence of hydrogen bonding. FESEM imaging provided insights into the composite's morphology and particle size distribution, while TGA confirmed thermal stability up to 189.99 °C. BET analysis further characterized the adsorbent's pore properties. Overall, powdered silk is an effective adsorbent for MG.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"354 ","pages":"Article 132193"},"PeriodicalIF":4.7,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146192209","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Akshay Kumar Soni , Debtanay Das , Swarup Bag , P.S. Robi , Dheeraj Kumar Saini , Pradeep Kumar Jha
{"title":"Prediction of segregation and mechanism of microstructure formation in twin roll cast AA6061 alloy strip through numerical simulation and experimental verification","authors":"Akshay Kumar Soni , Debtanay Das , Swarup Bag , P.S. Robi , Dheeraj Kumar Saini , Pradeep Kumar Jha","doi":"10.1016/j.matchemphys.2026.132208","DOIUrl":"10.1016/j.matchemphys.2026.132208","url":null,"abstract":"<div><div>Twin roll casting (TRC) is an emerging and energy efficient technology utilized for the production of thin strips directly from melt where the property is greatly influenced by elemental segregation. The current study highlights the microstructure formation and the segregation behaviour of alloy AA6061 through solidification dynamics at different casting speeds. A strong cooling rate and thermal gradient near the roll surface promotes fine dendritic structure, while at the centre it is subjected to coarse equiaxed grains. Increase in casting speed also enhances cooling rates, resulting in reduction of secondary dendritic arm spacing (SDAS) from 12.7 <span><math><mrow><mi>μ</mi><mi>m</mi></mrow></math></span> to 10 <span><math><mrow><mi>μ</mi><mi>m</mi></mrow></math></span>. The recirculating flow induced by roll motion contributes in dendritic fragmentation which serves as potential nucleating sites for further grain refinement. EDS analysis shows the segregation of Si and Mg in inter-dendritic (micro-segregation) regions and at the centre of the cast strip (centreline segregation). On increasing casting speed, the intensity of segregation is reduced due increased effective partition coefficient and solute trapping within <span><math><mrow><mi>α</mi><mo>−</mo><mtext>Al</mtext></mrow></math></span> matrix. Si holds higher segregation tendency (low partition coefficient) relative to Mg. The current study provides a valuable insight into microstructure formation and solute partitioning of AA6061 alloy using the numerical model of TRC. The overall objective is to optimize the casting parameters for improved strip quality and reduced segregation in aluminium alloys.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"354 ","pages":"Article 132208"},"PeriodicalIF":4.7,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146192143","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A graph-based approach for balancing chemical reactions","authors":"Hossein Jafari","doi":"10.1016/j.matchemphys.2026.132096","DOIUrl":"10.1016/j.matchemphys.2026.132096","url":null,"abstract":"<div><div>Chemistry is undoubtedly one of the most practically significant sciences in human life. From the moment we wake up until the end of the day, we constantly interact with various chemicals, and the applications of chemistry are pervasive in our daily lives. This study addresses one of the well-known challenges in the field of chemistry: the balancing of chemical reactions. This problem, commonly referred to as chemical equation balancing, has different solving algorithms for different types of reactions. In other words, different types of chemical reactions may require distinct algorithms for balancing. In this paper, using the Law of Conservation of Mass (LCM) and basic mathematical principles, a simplified system was introduced for each chemical reaction. Furthermore, a heuristic graph-based algorithm was employed to find the optimal solution to this system.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"354 ","pages":"Article 132096"},"PeriodicalIF":4.7,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146190780","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Roman Pushkarev , Z. Silvester Houweling , Robbert W.E. van de Kruijs , Wesley T.E. Van den Beld , Jacobus M. Sturm , Marcelo D. Ackermann , Fred Bijkerk
{"title":"Chemical etch resistance of sputter-deposited metal oxide thin film coatings in atomic hydrogen at 700 °C","authors":"Roman Pushkarev , Z. Silvester Houweling , Robbert W.E. van de Kruijs , Wesley T.E. Van den Beld , Jacobus M. Sturm , Marcelo D. Ackermann , Fred Bijkerk","doi":"10.1016/j.matchemphys.2026.132143","DOIUrl":"10.1016/j.matchemphys.2026.132143","url":null,"abstract":"<div><div>We report a systematic experimental study of the resistance of thin film metal oxides (MO<sub>x</sub>) to chemical reduction by atomic hydrogen (H*) at 700 °C. Thin films of Y<sub>2</sub>O<sub>3</sub>, HfO<sub>2</sub>, ZrO<sub>2</sub>, TiO<sub>2</sub>, Nb<sub>2</sub>O<sub>5</sub> and Al<sub>2</sub>O<sub>3</sub> are selected based on their relevance to various coating applications in, for instance, integrated circuits and extreme ultraviolet lithography (EUVL) scanners. In the study 15–20 nm thick MO<sub>x</sub> thin films were thermally annealed at 900 °C and thus stabilized before exposure to H* at 700 °C. Comprehensive characterization using X-ray photoelectron spectroscopy, X-ray reflectivity, X-ray diffraction, atomic force microscopy, and <em>in-situ</em> ellipsometry revealed two distinct categories of behavior, which are combined with equilibrium thermodynamics assessments. Upon exposure to H*, Y<sub>2</sub>O<sub>3</sub>, HfO<sub>2</sub>, ZrO<sub>2</sub>, and Al<sub>2</sub>O<sub>3</sub> exhibited high resistance to reduction, with minor to no morphological, structural or compositional changes, consistent with thermodynamic predictions. In contrast, TiO<sub>2</sub> and Nb<sub>2</sub>O<sub>5</sub> underwent phase transformation and reduction to lower oxidation states. At present systematic reports in the literature of MO<sub>x</sub> interaction and their reducibility by H* are scarce. We here provide insight into general trends of MO<sub>x</sub> stability that is relevant for the need of chemically stable coatings in reactive environments like H*, but also low-ion energy H plasmas that reside in EUVL scanners.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"354 ","pages":"Article 132143"},"PeriodicalIF":4.7,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146190775","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Structure–function analysis of an illite–montmorillonite organoclay blend for HPHT oil-based drilling fluids","authors":"Ali Mahmoud, Rahul Gajbhiye, Salaheldin Elkatatny","doi":"10.1016/j.matchemphys.2026.132186","DOIUrl":"10.1016/j.matchemphys.2026.132186","url":null,"abstract":"<div><div>The exploration of high-pressure and high-temperature (HPHT) hydrocarbon reservoirs requires drilling fluids with high thermal stability, controlled rheology, and effective fluid-loss mitigation. Oil-based drilling fluids (OBDFs) are commonly employed under such conditions; however, maintaining consistent performance at elevated temperature and pressure remains challenging. This study provides a structure–function interpretation of an OBDF system formulated using an equal-ratio blend of two commercially available organoclays (OCs), Claytone-3 (illite based) and Claytone-IMG 400 (montmorillonite based), selected for their contrasting mineralogical compositions and particle morphologies.</div><div>The OCs were characterized using X-ray diffraction (XRD), X-ray fluorescence (XRF), scanning electron microscopy (SEM), and particle size distribution (PSD) analysis. The 1:1 OC blend was evaluated alongside the individual OCs and a commercial reference formulation (MC-TONE) through laboratory testing, including measurements of density, electrical stability, sag tendency, rheological and viscoelastic properties, and HPHT filtration behavior. The blended system consistently exhibited improved performance relative to the individual OCs, including a 19% increase in electrical stability, a 21% reduction in dynamic sag, a 13% increase in plastic viscosity, a 40% increase in yield point, and reductions in fluid loss (6.5%) and filter cake thickness (12%).</div><div>These performance trends are interpreted in terms of complementary structure–function contributions from the illite- and montmorillonite-rich components. The results suggest that mineralogical complementarity is an effective design variable for enhancing OBDF performance under HPHT conditions. This interpretation-driven approach provides practical insight for rational drilling fluid formulation aimed at improving wellbore stability in technically challenging environments.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"354 ","pages":"Article 132186"},"PeriodicalIF":4.7,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146192214","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Luma Ahmed Mohammed Ali , Nurfaizah Abu Tahrim , Mohamad Azuwa Mohamed
{"title":"Chemically modified bread-oven fly ash for amitriptyline adsorption under gastric and intestinal conditions","authors":"Luma Ahmed Mohammed Ali , Nurfaizah Abu Tahrim , Mohamad Azuwa Mohamed","doi":"10.1016/j.matchemphys.2026.132173","DOIUrl":"10.1016/j.matchemphys.2026.132173","url":null,"abstract":"<div><div>Chemically modified adsorbents are widely used in the management of drug overdoses due to their ability to remove toxic compounds from the gastrointestinal tract. Although commercial pharmaceutical-grade activated carbon is effective, its production is often resource-intensive. This study presents a sustainable approach for upcycling bread-oven fly ash waste into chemically modified fly ash adsorbents for pharmaceutical applications. For the first time, the adsorption behavior of amitriptyline hydrochloride (AMI·HCl) onto acid- and alkali-modified fly ash was investigated under simulated gastric and intestinal conditions relevant to drug overdose treatment. Fly ash was chemically treated using KOH, HCl, and H<sub>2</sub>SO<sub>4</sub>, without any carbonization or thermal activation step, producing three modified adsorbents (FA-KOH, FA-HCl, and FA-H<sub>2</sub>SO<sub>4</sub>). The materials were characterized using BET surface area analysis, FESEM, FTIR, XRD, TGA, Raman spectroscopy, and elemental analysis. Among the modified samples, FA-KOH exhibited the most significant enhancement in surface properties, with surface area increasing from 6 to 88 m<sup>2</sup> g<sup>−1</sup>. FA-KOH demonstrated adsorption capacities of 66 mg g<sup>−1</sup> in simulated gastric fluid and 155 mg g<sup>−1</sup> in simulated intestinal fluid. The effects of adsorbent dose, contact time, pH, and initial AMI·HCl concentration were systematically evaluated, and adsorption performance was compared with commercial pharmaceutical activated carbon (Norit). Adsorption kinetics followed a pseudo-first-order model, while equilibrium data were best described by the Freundlich isotherm. Thermodynamic analysis confirmed that the adsorption process was spontaneous and exothermic. These results highlight the potential of chemically modified fly ash as a low-cost and sustainable alternative adsorbent for pharmaceutical applications.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"354 ","pages":"Article 132173"},"PeriodicalIF":4.7,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146191625","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}