Chemical Papers最新文献

{"title":"Discovery of potent VEGFR2 inhibitors as anticancer target, using pharmacophore based virtual screening, molecular docking and molecular dynamics simulation","authors":"Ouafa Meziani,&nbsp;Fouad Ferkous,&nbsp;Samira Ait Kaki,&nbsp;Khairedine Kraim,&nbsp;Youcef Saihi,&nbsp;Magdy M. D. Mohammed,&nbsp;Amany M. A. Osman","doi":"10.1007/s11696-026-05026-7","DOIUrl":"10.1007/s11696-026-05026-7","url":null,"abstract":"<div><p>Vascular Endothelial Growth Factor Receptor 2 (VEGFR2) tyrosine kinase plays a pivotal role in angiogenesis, a biological process essential for tumor growth and metastasis. As a central mediator of endothelial cell proliferation, migration, and survival, VEGFR2 is considered a major therapeutic target in anticancer drug development. The aim of this study was to employ a comprehensive in silico approach to identify novel VEGFR2 inhibitors with the potential to improve current anticancer strategies. This study led to the generation of 470 pharmacophore models based on a curated dataset of known VEGFR2 inhibitors. To identify the most predictive model, a Quantitative Structure–Activity Relationship (QSAR) analysis was subsequently conducted, leading to the selection of an optimal pharmacophore. Subsequently, a virtual screening workflow was applied to two distinct chemical libraries, a library of cabozantinib analogues and a library of natural compounds. This integrated approach, combining pharmacophore mapping, QSAR modeling, and molecular docking (PDB ID: 3WZD), followed by Absorption, Distribution, Metabolism, Excretion, and Toxicity profiling, resulted in the identification of two promising hits. Notably, the first hit represents a structurally novel candidate, while the second hit was identified as a structural analogue of Cabozantinib.The identification of this analogue through our workflow further supports the reliability and internal consistency of the screening strategy. Both compounds displayed favorable binding affinities and interaction profiles compared to Sorafenib used as the reference inhibitor. Finally, 100 ns molecular dynamics simulation validated the stable interactions of these hits within the VEGFR2 active site, reinforcing their potential as lead compounds for further development in cancer treatment.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><img></picture></div></div></figure></div></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 9","pages":"10561 - 10578"},"PeriodicalIF":2.5,"publicationDate":"2026-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148871743","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":"High-performance supercapacitors on tuning nickel manganite with cerium","authors":"D. Baba Basha,&nbsp;Ahsan Ahmed,&nbsp;Shahir Hussain,&nbsp;Sultan Ahmed","doi":"10.1007/s11696-026-05087-8","DOIUrl":"10.1007/s11696-026-05087-8","url":null,"abstract":"<div><p>Supercapacitors (SCs) are seen as potentially useful energy storage devices that integrate the qualities of both batteries and capacitors. They have low cost, high cyclic stability, and high-power density. Innovative and electrochemically efficient SCs seek the exploration of key electrode materials. In the present work, a facile and cost-effective hydrothermal technique has been employed to prepare Cerium (Ce) doped manganite nanostructure (NiCe_<i>x</i>Mn_2−<i>x</i>O₄) with <i>x</i> = 0.00, 0.08, 0.10. XRD, BET, and SEM were employed to examine the structure, porosity, and morphology. It was noted that the dopant Ce showed its impact. Dopant with 8% revealed a high surface area and suitable morphology. Further Ce showed its impact on electrochemical characteristics. The fabricated SC comprising optimum dopant (<i>x</i> = 0.08) displayed a substantial capacitance of ~ 102.94 F g⁻¹. SC also exhibited high specific power (14.55 kW kg⁻¹) and energy (3.57 Wh kg⁻¹) with excellent cyclic stability (93.4%) for more than 5000 discharge cycles. Therefore, one can argue that efficient manufacturing material together with excellent electrochemical performance would help to use these nanocomposites for energy storage applications.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 10","pages":"11729 - 11740"},"PeriodicalIF":2.5,"publicationDate":"2026-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149007360","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":"Electronic modulation and controlled adsorption in graphene nanocarriers: a DFT insight into efficient lapachol delivery","authors":"Enas Riyadh Wdaah,&nbsp;Faeq A. AL-Temimei,&nbsp;Nuha Wazzan","doi":"10.1007/s11696-026-05095-8","DOIUrl":"10.1007/s11696-026-05095-8","url":null,"abstract":"<div><p>This study provides a comprehensive quantum-level understanding of Lapachol adsorption on graphene-based nanocarriers, highlighting the interplay between structural stability and electronic modulation. The calculated adsorption energies, ranging from − 0.401 to − 0.902 eV, confirm spontaneous and energetically favorable interactions within the physisorption regime. Among the studied systems, GH + GH and GH+GBNSiH exhibit relatively stronger adsorption behavior, reflecting the influence of surface modification on interaction strength. The electronic analysis shows a consistent reduction in the HOMO-LUMO energy gap (from 3.36 to 1.79 eV) accompanied by a downward shift in the Chemical potential (down to − 5.45 eV) and an increase in the Ionization potential (up to 5.45 eV), indicating significant charge redistribution and enhanced electronic coupling. These findings are strongly supported by DOS/PDOS results, which reveal the emergence of new electronic states near the Chemical potential due to orbital hybridization, particularly involving oxygen atoms from Lapachol. QTAIM analysis further demonstrates that the interactions are dominated by π–π stacking, hydrogen bonding, and partially covalent contributions (ρ ≈ 0.27–0.41 e Å⁻³, H(r) &lt; 0), while ELF results confirm partial electron localization at the interface without disrupting the intrinsic delocalized π-network of graphene. Notably, functionalized and doped systems, especially GH+GOOH and GH+GBNSiH, exhibit superior performance due to enhanced active sites and stronger electronic interactions. These systems combine optimal adsorption strength, electronic responsiveness, and structural stability. Overall, the results demonstrate that graphene-based nanocarriers can be precisely tuned at the electronic level to achieve efficient drug-carrier interaction.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 10","pages":"11845 - 11859"},"PeriodicalIF":2.5,"publicationDate":"2026-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149007432","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":"Reliable frameworks to predict solubility of NO in deep eutectic solvents via machine learning models","authors":"Mohamed Abu Shuheil,&nbsp;Heba A. Abd-Alsalam Alsalame,&nbsp;Arpita A. Prajapati,&nbsp;J. Gowrishankar,&nbsp;Mohammed Wael Mohammed,&nbsp;Irwanjot Kaur,&nbsp;Vikas Wasson,&nbsp;Hayitov Abdulla Nurmatovich,&nbsp;Soraya Hussaini","doi":"10.1007/s11696-026-05090-z","DOIUrl":"10.1007/s11696-026-05090-z","url":null,"abstract":"<div><p>This study develops machine learning (ML) frameworks to accurately predict nitric oxide (NO) solubility in deep eutectic solvents (DESs) using key physicochemical parameters, including HBA and HBD densities, DES density and viscosity, HBA mole number, temperature, and pressure. A dataset containing 292 experimental data points was employed and screened for anomalies using a Monte Carlo-based outlier detection approach prior to model development. Multiple ML techniques, including ANN, CNN, Gaussian Process (GP), Random Forest, XGBoost, LightGBM, SVR, and regression-based methods, were evaluated. Among all investigated models, the Gaussian Process framework achieved the highest predictive accuracy, with R² values of 0.9991, 0.9992, and 0.9973 for training, validation, and testing datasets, respectively, together with very low mean squared errors (0.0092–0.0504). ANN and CNN models also demonstrated strong predictive capability with testing R² values above 0.985. SHAP-based feature importance analysis revealed that HBA density, temperature, and pressure were the most influential variables governing NO solubility behavior in DESs. The results demonstrate that advanced nonlinear ML models can provide reliable and interpretable predictions of NO solubility, offering a practical tool for accelerating DES screening and optimization in gas capture applications.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 10","pages":"11773 - 11789"},"PeriodicalIF":2.5,"publicationDate":"2026-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149007428","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":"Thermodynamic, optical and electronic properties of Ge2Te5As2 and Ge2Te4As2: ab initio insights","authors":"A. Jabar,&nbsp;Z. Fadil,&nbsp;Hussein Sabbah,&nbsp;S. Idrissi,&nbsp;L. Bahmad,&nbsp;Chaitany Jayprakash Raorane,&nbsp;Saikh Mohammad Wabaidur,&nbsp;Ayman A. Ghfar,&nbsp;Seong-Cheol Kim","doi":"10.1007/s11696-026-05083-y","DOIUrl":"10.1007/s11696-026-05083-y","url":null,"abstract":"<div><p>Using ab initio DFT and the WC-mBJ potential, we analyze and compare the structural, electronic, optical, and thermodynamic characteristics of two germanium telluride arsenide compounds: the stable <i>Ge</i>₂<i>Te</i>₅<i>As</i>₂ and its <i>Ge</i>₂<i>Te</i>₄<i>As</i>₂ sub-stoichiometric analogue, characterized by an ordered tellurium depletion. Our calculations reveal that this stoichiometric modification fundamentally alters the electronic structure, driving a transition from an indirect semiconducting character in <i>Ge</i>₂<i>Te</i>₅<i>As</i>₂ (with a calculated band gap of 0.423 eV) to a distinct metallic state in <i>Ge</i>₂<i>Te</i>₄<i>As</i>₂, as evidenced by a finite density of states at the Fermi level. This drastic shift governs the optical characteristics, significantly modifying the absorption spectrum and complex dielectric function. Furthermore, thermodynamic stability assessments confirm the viability of both structures. These findings unequivocally highlight the profound impact of periodic structural reconfigurations on adapting the fundamental characteristics of functional materials for potential applications in optoelectronics and phase-change memory devices.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 10","pages":"11675 - 11683"},"PeriodicalIF":2.5,"publicationDate":"2026-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149007446","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":"Balancing fire safety and sustainability: a comprehensive review of flame retardant cotton technologies","authors":"A. Hashem,&nbsp;Hassan M. Ibrahim","doi":"10.1007/s11696-026-04982-4","DOIUrl":"10.1007/s11696-026-04982-4","url":null,"abstract":"<div><p>Flame-Retardant (FR) treatments for cotton fabrics play a crucial role in improving fire safety for applications in textiles, construction, and transportation. However, they face ongoing challenges in achieving high performance, durability, environmental sustainability, and regulatory compliance. This comprehensive review examines recent advancements (2023–2025) in FR technologies for cotton, highlighting key barriers such as limited wash durability, potential toxicity, and production scalability. Conventional phosphorus-based FRs often show reduced efficacy after repeated laundering, while many bio-based alternatives (e.g., chitosan or lignin coatings) require higher loadings that can affect fabric comfort and breathability. Promising innovations include nanocellulose-phosphorus hybrids with excellent wash durability, stimuli-responsive microcapsules for targeted flame suppression, and nanotechnology-driven nanocomposites (e.g., graphene-clay) that achieve high fire-resistance ratings at low loadings though commercialization is limited by cost. Nanocellulose-phosphorus hybrids with excellent wash durability (retaining 90% efficacy after 50 washes) (Bambo et al., 2024) and graphene-clay nanocomposites achieving UL-94 V-0 at 5 wt% loading with 45% reduction in peak heat release rate (Ma et al., 2023; Han et al., 2023. Stricter global regulations, including EU REACH updates and the Stockholm Convention, are driving the phase-out of halogenated FRs and promoting non-toxic, recyclable options with reduced combustion byproducts. Artificial intelligence is also accelerating the discovery of optimized formulations. Future directions emphasize hybrid bio-inorganic systems, green chemistry using waste-derived materials, and multifunctional smart FR technologies (e.g., with antimicrobial or UV protection). Supported by initiatives like the EU-funded FIRESAFE program and growing consumer demand for eco-friendly products, the field is advancing toward durable, sustainable, and comfortable FR cotton textiles. This review underscores the value of interdisciplinary collaboration to align fire safety with global environmental goals.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 10","pages":"11431 - 11457"},"PeriodicalIF":2.5,"publicationDate":"2026-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149007406","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":"Incense soot derived carbon nanoparticles for latent fingerprint development: detection and characterization via field emission-scanning electron microscopy, FTIR transmittance and Raman scattering","authors":"Bhawna Sharma,&nbsp;Pawan Mandal,&nbsp;Ruchi Sharma,&nbsp;Purnima Chauhan,&nbsp;Debasis Bora,&nbsp;Nivedita Singh,&nbsp;Manish Ramesh Bhise,&nbsp;Amit Kumar Behera,&nbsp;Syed Ahmar Ali Hashmi","doi":"10.1007/s11696-026-05018-7","DOIUrl":"10.1007/s11696-026-05018-7","url":null,"abstract":"<div><p>For decades, latent fingerprints have been visualized using diverse physical and chemical techniques. In the past two decades, nanoparticle-based developers have gained prominence. This study highlights carbon nanoparticles from incense (dhoop) soot as an accessible developer for latent prints. Natural latent marks were deposited on porous (e.g., paper, cardboard, ceramic) and non-porous substrates (e.g., glass, steel, aluminum foil, plastic cover, compact disc). Soot generated by igniting incense was applied to the prints, producing clear, high-contrast ridge detail across most tested surfaces. Detection and characterization employed Field Emission–Scanning Electron Microscopy (FE-SEM), Fourier Transform Infrared (FTIR) spectroscopy, and Raman spectroscopy. FE-SEM at 10.00 kV revealed spherical nanoparticles of ~ 50–100 nm. FTIR showed a C–H stretch near 2927 cm⁻¹, O–H around 3436 cm⁻¹, and a weak C=C band at ~ 1630 cm⁻¹. Raman spectra of developed fingermarks exhibited peaks at ~ 1063.28, 1339.45, and 1586.64 cm⁻¹; the incense sample showed peaks at ~ 1077.74, 13 33.62, 1344.41, 1582.63, and 1588.04 cm⁻¹. These signatures confirm shared carbonaceous functionality, including C–C bonding, and provide molecular-level chemical information. The methodology used is novel and has proved to be effective over other existing methods. The sensitivity and quality of widely available reasonably priced powder may be lacking, which has fueled research into substitutes like nanomaterial powders. Overall, incense-soot nanoparticles offer a low-cost, practical, and effective approach to latent fingerprint development, reinforcing the growing role of nanotechnology in forensic science.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 9","pages":"10459 - 10470"},"PeriodicalIF":2.5,"publicationDate":"2026-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148871527","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":"Hybrid zinc oxide catalysis for photocatalytic degradation of polystyrene microplastics—performance assessment and characterization","authors":"T. Augustin Jacob,&nbsp;Radhakrishnan Sathishkannan,&nbsp;Naidu Dhanpal Jayram,&nbsp;Naresh Kumar Sharma,&nbsp;Natarajan Rajamohan","doi":"10.1007/s11696-026-05078-9","DOIUrl":"10.1007/s11696-026-05078-9","url":null,"abstract":"<div><p>Microplastic Polystyrene (PS) poses a significant environmental threat due to their persistent and recalcitrant nature, yet their detection and degradation remain challenging. This study, presents an integrated approach for detecting and degrading PS in water using surface-enhanced Raman spectroscopy (SERS) and Zinc oxide/Hydroxyapatite (ZnO/HAP) based photocatalysts. Silver nanoparticles (Ag NPs) and potassium iodide (KI) were utilized to enhance Raman signals, achieving a strong quantitative analytical performance (R² &gt; 0.95). For degradation, a ZnO/HAP composite was synthesized via co-precipitation and activated under visible LED light, resulting in over 95% PS degradation and 90% chemical oxygen demand (COD) reduction within 72 h. Characterization using SEM, XRD, FTIR, and UV–Vis-DRS confirmed the composite’s structural integrity, bandgap narrowing (~ 2.53 eV), and enhanced photocatalytic performance. Post-degradation analysis showed no significant catalyst deterioration, with reusability over five cycles retaining over 81% PS removal efficiency. The synergistic roles of ZnO and HAP contributed to improved charge separation and surface adsorption. This dual-functional strategy offers a sustainable, cost-effective solution for microplastic remediation in aquatic environments and surpasses conventional UV-dependent catalysts in terms of efficiency, reusability, and operation under visible light.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 10","pages":"11595 - 11620"},"PeriodicalIF":2.5,"publicationDate":"2026-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149007391","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":"Characterization study on mechanical, wear, and water absorption properties of stacking ordered natural kenaf/sisal fiber and cellulose particle reinforced epoxy biocomposite","authors":"Gaurav Bhardwaj,&nbsp;Vinod Kumar Naidu Pamuluri,&nbsp;Anoop Dev,&nbsp;Shivam Khurana,&nbsp;V. Mohanavel,&nbsp;S. Ramesh,&nbsp;N. A. Abu Osman,&nbsp;Seeniappan Kaliappan,&nbsp;Manzoore Elahi M. Soudagar","doi":"10.1007/s11696-026-05080-1","DOIUrl":"10.1007/s11696-026-05080-1","url":null,"abstract":"<div><p>The present study focuses on the economic and environmental potential of developing sustainable epoxy composites reinforced with silane-treated Luffa cylindrica fibers and Dimocarpus longan shell powder. Utilizing these low-cost, renewable agro-waste materials not only reduces production costs but also promotes eco-friendly alternatives to synthetic reinforcements. The incorporation of fibers and fillers substantially enhanced the composite’s performance, with specimen RFF2 achieving the highest mechanical strength—tensile (139 MPa), flexural (163 MPa), and impact (6.1 J)—owing to uniform filler dispersion and improved interfacial bonding via silane treatment. Superior wear resistance was observed in RFF3, due to better dispersion of filler particle in to the matrix composite. However, the slightly higher water absorption (0.042%) in RFF3 resulted from additional hydrophilic sites and microvoids. Scanning electron microscopy (SEM) revealed key failure modes, including fiber pull-out in RF, brittle fracture in RFF1, strong fiber–matrix adhesion in RFF2, and filler agglomeration in RFF3. Overall, the results demonstrate that synergistic reinforcement with Luffa cylindrica fibers and Dimocarpus longan shell powder offers an economical, environmentally sustainable route to fabricating high-performance epoxy composites.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 10","pages":"11633 - 11645"},"PeriodicalIF":2.5,"publicationDate":"2026-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149007448","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":"Cesium-doped zinc sulfate hexahydrate single crystals with enhanced third-order nonlinear optical properties for sustainable photonic applications","authors":"D. Dulasimathi,&nbsp;M. Prabhaharan,&nbsp;N. Venkatachalam,&nbsp;Muthumareeswaran Muthuramamoorthy,&nbsp;Shofiur Rahman,&nbsp;Rekha Pachiappan","doi":"10.1007/s11696-026-05077-w","DOIUrl":"10.1007/s11696-026-05077-w","url":null,"abstract":"<div><p>In this work, cesium-doped zinc sulfate hexahydrate (CZSH) single crystals were successfully grown at room temperature by a low-energy slow evaporation technique, offering a cost-effective and environmentally benign route for crystal fabrication. Transparent and structurally stable crystals with good optical quality were obtained. Structural analysis by single-crystal X-ray diffraction confirmed the retention of the monoclinic phase with slight lattice distortion due to Cs⁺ incorporation, indicating successful dopant accommodation without altering the host symmetry. FT-IR analysis verified the presence of sulfate groups, coordinated water molecules, and stable lattice bonding. UV–Visible studies revealed excellent optical transmission in the visible region with a sharp cut-off wavelength at 285 nm and a wide optical band gap of 5.3 eV, demonstrating low optical loss and suitability for high-power optical systems. Photoluminescence analysis combined with Gaussian deconvolution identified emission peaks at 362, 405, and 490 nm, corresponding to near-band-edge and defect-assisted radiative transitions. The calculated CIE chromaticity coordinates (0.214, 0.358) confirmed blue-cyan emission with a colour purity of 30.89%, indicating stable luminescent behaviour. Surface morphology analysis showed uniformly distributed submicron grains with an average feature size of 0.269 μm, reflecting controlled growth kinetics and good microstructural homogeneity. Third-order nonlinear optical studies using the Z-scan technique at 532 nm exhibited positive nonlinear refraction and reverse saturable absorption with β = 4.2 × 10⁻³ cm/W, n₂ = 3.1 × 10⁻⁸ cm²/W, and χ³ = 2.1 × 10⁻⁷ m²/V². The enhanced nonlinear response is attributed to Cs⁺-induced electronic polarization, localized defect states, and improved optical homogeneity. These findings demonstrate that CZSH is a promising low-cost inorganic material for optical limiting, laser protection, photonic switching, and sustainable optoelectronic technologies.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 10","pages":"11581 - 11594"},"PeriodicalIF":2.5,"publicationDate":"2026-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149007302","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}