RSC Advances最新文献

{"title":"Flower-like NiAl-LDH/BiVO4 Z-scheme photocatalysts for sunlight-driven degradation of azo dye: performance and mechanistic insights","authors":"Manpreet Kaur, Pritam Hait and Soumen Basu","doi":"10.1039/D5RA06146F","DOIUrl":"10.1039/D5RA06146F","url":null,"abstract":"<p >Layered double hydroxide (LDH)-based materials have garnered significant attention as versatile photocatalysts for environmental remediation, particularly for the abatement of dye-laden wastewater, owing to their structural tunability, chemical robustness, and facile synthetic routes. In this context, a series of NiAl-LDH/BiVO<small>₄</small> (NAL/BV) Z-scheme heterojunction nanocomposites were constructed by loading 5–15% (wt%) of BiVO<small>₄</small> onto LDH <em>via</em> an <em>ex situ</em> fabrication method, and evaluated for photocatalytic degradation of Congo red (CR), a typical azo dye, under solar irradiation. The structural, morphological, and optical attributes of the nanocomposites were meticulously elucidated through comprehensive analyses, including XPS, FTIR, PL, UV-DRS, FESEM, HRTEM, and BET surface area measurements. The optimized 5-NAL/BV composite exhibited a flower-like morphology with an augmented surface area, promoting efficient charge separation and enhanced photocatalytic activity. At a catalyst loading of 0.3 g L<small>⁻¹</small>, it achieved 94.3% CR degradation within 2 hours, with an apparent kinetic rate constant of 0.01673 min<small>⁻¹</small> and a synergy factor of 5.67. The effects of contaminant concentration, catalyst dose, pH, and light source on activity were systematically studied. TOC analysis confirmed 50% mineralization, while scavenging studies identified superoxide radicals as the primary reactive species. HRMS analysis elucidated degradation intermediates, and post-cycle characterization confirmed structural stability over six cycles. Moreover, a comparative analysis with previously reported studies demonstrates that this hybrid acts as a superior photocatalyst for the decomposition of hazardous dyes, highlighting the potential of NAL/BV nanocomposites for solar-driven wastewater treatment and environmental remediation.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 44","pages":" 37166-37182"},"PeriodicalIF":4.6,"publicationDate":"2025-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12501841/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145249052","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Sulfidation of magnetic CoFeAl-layered double hydroxide material as peroxymonosulfate activator for efficient degradation of norfloxacin","authors":"Xingzi Zhu, Xiaoxin Chen, Jinxin Wang, Caiyan Ge, Manli Guo, Yujuan Cao and Bixia Lin","doi":"10.1039/D5RA05588A","DOIUrl":"10.1039/D5RA05588A","url":null,"abstract":"<p >A magnetic CoFeAl-layered double hydroxide (LDH) material was synthesized <em>via</em> a hydrothermal method, followed by sulfidation treatment with sodium sulfide, and the obtained S/CoFeAl-LDH nanocomposite was used as a peroxymonosulfate (PMS) activator for efficient degradation of antibiotics in water by using norfloxacin (NOR) as a model. Through sulfidation modification, the proportion of low-valent metal ions in the composites was increased. Therefore, the S/CoFeAl-LDH displayed a higher performance of NOR degradation <em>via</em> the activation of PMS than the CoFeAl-LDH. Within 6 min, 0.10 g per L S/CoFeAl-LDH and 0.20 g per L PMS could degrade 98.3% NOR (20 mg L<small>⁻¹</small>). S/CoFeAl-LDH, as a heterogeneous catalyst, could efficiently activate PMS and degrade NOR in the pH range of 4–9. Since the synthesized material was a composite of magnetic CoFe<small>₂</small>O<small>₄</small> and LDH, it could be recycled by magnetism after the reaction. After 4 cycles, the NOR degradation rate still reached 84.3%, indicating the good stability of the catalyst. During the degradation of NOR by S/CoFeAl-LDH/PMS, both free radical pathway and non-free radical pathway played a role, among which SO<small>₄</small>˙<small>⁻</small>, O<small>₂</small>˙<small>⁻</small> and <small>¹</small>O<small>₂</small> were the main active species. The Co<small>²⁺</small> and Fe<small>²⁺</small> in the composites reacted with PMS to generate active species. The synergistic effect of metals and the reducibility of sulfur further promoted the cyclic regeneration of Co<small>²⁺</small> and Fe<small>²⁺</small>, which was conducive to the activation of PMS to generate free radicals. In addition, the intermediate products of the degradation reaction were analyzed by LC-MS, and the possible degradation paths were put forward. This study revealed that the S/CoFeAl-LDH was a heterogeneous catalyst with good application prospect, which provides a new method for removing antibiotics from water.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 44","pages":" 37062-37073"},"PeriodicalIF":4.6,"publicationDate":"2025-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12502068/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145249061","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Solvent-modulated second harmonic generation in N-alkylated thiohydantoin derivatives: synthesis, characterization, and first-principle insights","authors":"Muhammad Arif Ali, Muhammad Zahid Qureshi, Rahman Shah Zaib Saleem, Mariusz Mojzych, Ahsan Sharif and Muhammad Arshad","doi":"10.1039/D5RA06169E","DOIUrl":"10.1039/D5RA06169E","url":null,"abstract":"<p >This study explores the synthesis (five new thiohydantoin derivatives from MAS1 to MAS5, while an REF molecule was used as a standard for comparative DFT studies), spectroscopic characterization, and optoelectronic properties of six newly designed thiohydantoin derivatives using a combined experimental and computational approach. The molecular structures of all synthesized compounds were confirmed through FTIR and NMR spectroscopy, while DFT calculations at four functionals provided insights into vibrational modes, chemical shifts, and electronic behavior. Among the utilized functionals D3-B3LYP demonstrated the best agreement with experimental data, establishing its reliability for predicting electric field induced second harmonic generation (EFISHG) and electro-optical Pockel's effect (EOPE). Frontier molecular orbital (FMO) analysis revealed a reduced energy gap in nitro-substituted derivatives, particularly MAS3 (Δ<em>E</em> = 3.32 eV), which exhibited enhanced intramolecular charge transfer (ICT) and large hyperpolarizabilities, responsible for EFISHG applications. Molecular electrostatic potential (MEP) maps highlighted significant charge separation, while ELF and LOL analyses confirmed strong π-electron delocalization, further supporting their electro-optic potential. Notably, MAS3 displayed the highest first hyperpolarizability (<em>β</em><small>_tot</small> = 3217 a.u.), surpassing the reference <em>p</em>-nitroaniline (<em>p</em>NA), indicating strong potential for second-harmonic generation (SHG) and EOPE-based devices. Dynamic hyperpolarizability studies at 1460 nm and 1907 nm revealed frequency-dependent behavior, with MAS3 showing exceptional <em>γ</em>(−2<em>ω</em>;<em>ω</em>,<em>ω</em>,0) values (124 212 a.u.), suggesting utility in EFISHG measurements and electro-optic modulation. Thermodynamic stability, light-harvesting efficiency (LHE), and radiative lifetime (<em>τ</em><small>_r</small> = 8.8 ns for MAS3) further underscore the promise of these derivatives for optoelectronic applications. This work not only validates the solvent modulated EFISHG and EOPE capabilities of thiohydantoin-based systems but also provides a robust framework for designing advanced organic materials for photonics and telecommunications.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 44","pages":" 37325-37347"},"PeriodicalIF":4.6,"publicationDate":"2025-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12502909/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145249025","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Study of the electronic, magnetic, and thermoelectric aspects of spinel chalcogenides SrCe2Z4 (Z = Te, Se, S) for spintronic and energy applications","authors":"Muhammad Furqan, Ghulam M. Mustafa, Hanof Dawas Alkhaldi, Fawziah Alhajri, G. I. Ameereh, Murefah mana Al-Anazy, Ali El-Rayyes and Q. Mahmood","doi":"10.1039/D5RA03092G","DOIUrl":"10.1039/D5RA03092G","url":null,"abstract":"<p >Spinel chalcogenides are promising candidates for the advancement of spintronic and thermoelectric devices. Therefore, this article presents the structural, electronic, and magnetic characteristics of SrCe<small>₂</small>Z<small>₄</small> (Z = S, Se, Te) spinels employing WIEN2k in the context of density functional theory. The expansion of the unit cell is witnessed with the incorporation of larger anions and lattice parameters, including 12.01 Å for SrCe<small>₂</small>S<small>₄</small>, 12.52 Å for SrCe<small>₂</small>Se<small>₄</small>, and 13.42 Å for SrCe<small>₂</small>Te<small>₄</small>. The maximum release of energy in the FM states (rather than AFM states) and the negative enthalpy of formation (−2.20 eV, −2.05 eV, and −1.94 eV) confirm their dominant ferromagnetic nature and the thermodynamic stability of the system. The spin-polarized band structure exhibits the ferromagnetic semiconducting nature of SrCe<small>₂</small>S<small>₄</small> and SrCe<small>₂</small>Te<small>₄</small>, as well as the half-metallic ferromagnetic behavior of SrCe<small>₂</small>Se<small>₄</small>. The analysis of the total density of states also endorses the exact nature predicted during the band structure investigation. The magnetic properties are explored by calculating the direct exchange energy Δ<small>_<em>x</em></small>(f), indirect exchange energy Δ<small>_<em>x</em></small>(pf), along with the exchange constants N<small>_o</small>α and N<small>_o</small>β to analyze the magnetic behavior. The significant hybridization of chalcogenide's 2p states and the f states from the Ce atom located at the Fermi level results in the total magnetic moments. All these compositions reveal that the Curie temperature is near or above room temperature. The thermoelectric characteristics of the spinels are examined utilizing the BoltzTrap code to inspect the parameters including power factors and the figure of merit as a function of temperature. The <em>ZT</em> value of 0.90 for SrCe<small>₂</small>Te<small>₄</small> indicates its higher thermoelectric efficiency and potential for future thermoelectric devices.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 44","pages":" 37288-37298"},"PeriodicalIF":4.6,"publicationDate":"2025-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12501843/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145249033","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Transdermal delivery of near-infrared photothermal-responsive PDA@Ag through dissolvable carboxymethyl chitosan films coated on PEGDA microneedle arrays for potential antibacterial applications","authors":"Ya Gao, Haoping Huo, Jianlin Li, Nengqing Wang, Haonan Gao and Yingbo Wang","doi":"10.1039/D5RA04189A","DOIUrl":"10.1039/D5RA04189A","url":null,"abstract":"<p >Eradicating cutaneous infections induced by pathogenic microorganisms, such as bacteria, fungi, and viruses, <em>via</em> conventional topical drug delivery is challenging owing to limited epidermal penetration. To overcome this limitation, we fabricated a poly(ethylene glycol) diacrylate (PEGDA) microneedle array coated with a carboxymethyl chitosan (CMC) film embedded within situ-synthesized polydopamine-modified silver nanoparticles (PDA@Ag NPs) for enhanced antibacterial efficacy. This design utilizes microneedle (MN)-mediated skin perforation to enhance drug permeation, combined with rapid film dissolution for the efficient release of the payload. The experimental findings revealed that the PDA@Ag-CMC/PEGDA MNs possess favorable biocompatibility along with dual photothermal and photodynamic functionalities. Mild photothermal therapy (PTT) triggered by these MNs promotes the production of antibacterial reactive oxygen species (ROS), resulting in a high antibacterial rate of up to 98% against both <em>Escherichia coli</em> (<em>E. coli</em>) and <em>Staphylococcus aureus</em> (<em>S. aureus</em>) under NIR irradiation at a PDA@Ag concentration of 40 μg mL<small>⁻¹</small>. To assess transdermal delivery performance, lidocaine hydrochloride (LiH) (78 μg per MN array) was incorporated into the CMC film as a model drug. Physiological conditions confirmed accelerated LiH release from the PDA@Ag-LiH-CMC/PEGDA system upon aqueous exposure. This minimally invasive approach demonstrated promising broad-spectrum antibacterial activity, suggesting that the PDA@Ag-LiH-CMC/PEGDA platform could serve as a viable clinical solution for managing polymicrobial skin infections and alleviating wound pain.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 44","pages":" 37273-37287"},"PeriodicalIF":4.6,"publicationDate":"2025-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12501963/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145249069","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Tuning i-motif folding and stability with acyclic phosphonate-linked (ZNA) cytidine residues","authors":"Marlies Derden, Sten Reynders, Jérôme Rihon, Xinlu Li, Frédérick Coosemans, Jef Rozenski, Piet Herdewijn, Elisabetta Groaz and Eveline Lescrinier","doi":"10.1039/D5RA05934H","DOIUrl":"10.1039/D5RA05934H","url":null,"abstract":"<p >i-Motifs (iMs) are non-canonical four-stranded DNA structures stabilized by hemi-protonated (C:H<small>⁺</small>C) cytosine base pairs. Under non-acidic pH conditions, cytosine deprotonation disrupts these interactions, resulting in structural unfolding. To broaden the environmental conditions that support iM formation for potential biomedical applications, we investigated the effect of substituting 2′-deoxycytidine residues with either the (<em>R</em>) or (<em>S</em>) isomers of an acyclic phosphonate-linked nucleotide (ZNA) bearing a cytosine (C) or 5-fluorocytosine (5F-C) nucleobase within the 22-mer vertebrate telomeric iM. UV melting and NMR spectroscopy analyses revealed that the presence of ZNA-C in the core of the iM decreased its stability, while 5F-C altered the iM stability across different pH ranges. Molecular dynamics (MD) provided a first glimpse of the quasi-symmetrical loops 1 and 3 in the iM formed by the native vertebrate telomeric sequence. The changes in the dynamics of the loop region in the modified sequences could be correlated with their decreased stability, despite stable base pairing occurring for both (<em>R</em>) and (<em>S</em>)-ZNA modifications.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 44","pages":" 37099-37108"},"PeriodicalIF":4.6,"publicationDate":"2025-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12501961/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145249009","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Non-metallic SERS on MoOx/AZO heterostructures: role of charge transfer and polarons","authors":"Trong Vo Huu, Nhi Nguyen Bich, Thanh Cu Duy, Tuan Dao Anh, Ke Nguyen Huu and Hung Le Vu Tuan","doi":"10.1039/D5RA05314E","DOIUrl":"10.1039/D5RA05314E","url":null,"abstract":"<p >In this study, a non-noble-metal SERS substrate based on MoO<small>_<em>x</em></small>/Al-doped ZnO (AZO) heterostructures was successfully fabricated using a cost-effective DC magnetron sputtering method. The AZO thin film, optimized at a sputtering power of 45 W, provides a highly crystalline, textured surface, and optical characteristics that support both a chemical and electromagnetic enhancement mechanism. Upon deposition of a thin MoO<small>_<em>x</em></small> layer for 7.5 minutes, the resulting heterostructure exhibits improved light absorption, enhanced defect-level emissions, and significant SERS activity. Spectroscopic analyses (UV-Vis, Raman, PL, and XPS) of the MoO<small>_<em>x</em></small>/AZO heterostructures confirm the presence of oxygen vacancies and mixed-valence Mo<small>⁵⁺</small>/Mo<small>⁶⁺</small> species, indicative of small polaron formation. These polarons, along with interfacial energy alignment, enable efficient charge transfer from the SERS substrate to the analyte, supporting the chemical enhancement mechanism. Meanwhile, localized field enhancement at surface protrusions and junctions contributes to electromagnetic effects. The optimized MoO<small>_<em>x</em></small>/AZO substrate achieved a detection limit as low as 10<small>⁻⁷</small> M for Rhodamine 6G. This work underscores the critical impact of charge transfer and polaron-assisted processes in boosting Raman signals, highlighting the promise of oxide-based heterostructures for sensitive and scalable metal-free SERS applications.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 44","pages":" 37109-37124"},"PeriodicalIF":4.6,"publicationDate":"2025-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12501842/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145249041","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effective electrochemical synthesis of ferrate(vi) utilizing a porous iron foam anode and its application in the removal of azo dye reactive red 24","authors":"Thi Van Anh Nguyen, Thi Xuan Mai, The Duyen Nguyen, Minh Quy Bui, Hoang Yen Phan and Thi Thanh Thuy Mai","doi":"10.1039/D5RA05299H","DOIUrl":"10.1039/D5RA05299H","url":null,"abstract":"<p >Anode passivation is a significant challenge in the electrochemical synthesis of ferrate(<small>VI</small>), resulting in diminished Fe(<small>VI</small>) production efficiency. In this study, cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), scanning electronic microscopy (SEM), X-ray diffraction (XRD), energy-dispersive X-ray spectroscopy (EDS), and <em>E</em>–<em>t</em> polarization curves were used to evaluate the electrochemical properties and the formation of passivation layers on two anode materials, namely, pure iron (PI) and porous iron foam (PIF). Results revealed that PIF had favorable characteristics for ferrate(<small>VI</small>) generation, such as improved electron transfer capability and mitigated anode passivation compared with PI. Experiments also confirmed that PIF significantly outperformed PI in ferrate(<small>VI</small>) synthesis, achieving a synthesis efficiency of up to 63% in 14 M NaOH solution. The synthesized ferrate(<small>VI</small>) was subsequently applied to the treatment of the dye reactive red 24 (RR24), yielding a high removal efficiency of up to 98% at a ferrate/RR24 mass ratio of 2 g g<small>⁻¹</small>.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 44","pages":" 36969-36980"},"PeriodicalIF":4.6,"publicationDate":"2025-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12501980/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145249043","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Design, synthesis and evaluation of arylpurine-based sinefungin mimetics as zika virus methyltransferase inhibitors","authors":"Natalia del Río, Iván Arribas-Álvarez, José-María Orduña, Priscila Sutto-Ortiz, Johan Neyts, Suzanne Kaptein, Etienne Decroly, Eva-María Priego and María-Jesús Pérez-Pérez","doi":"10.1039/D5RA05362E","DOIUrl":"10.1039/D5RA05362E","url":null,"abstract":"<p >Arylpurine derivatives were designed and synthesized to mimic sinefungin by targeting the SAM/SAH binding site of zika virus (ZIKV) methyltransferase (MTase). These compounds incorporate adenine or 6-methyl-7-deazapurine bases, while the ribose of sinefungin has been replaced by an aniline, linked to its amino acid chain <em>via</em> a CO or a CH<small>₂</small> unit. Compounds <strong>18</strong>, <strong>29</strong> and <strong>31</strong> inhibited ZIKV 2′-<em>O</em>-MTase activity. Docking studies showed that compounds <strong>18</strong> and <strong>29</strong> interact with both the purine and amino acid binding sites, effectively mimicking sinefungin. In contrast, compound <strong>31</strong> has its amino acid chain positioned above the ribose binding site. Notably, compound <strong>18</strong> exhibited modest antiviral activity against ZIKV.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 44","pages":" 37309-37324"},"PeriodicalIF":4.6,"publicationDate":"2025-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12501849/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145249064","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Design, synthesis and SAR of novel naphthalene–sulfonamide hybrids: anticancer assessment, gene expression analysis of IL6/JAK2/STAT3 signaling in MCF7 cells and antimicrobial evaluation","authors":"Ghada H. Elsayed, Nagwa M. Abdelazeem, Alaa M. Saleh, Sherein Abd El-Moez, Marwa El-Hussieny and Aisha A. K. Al-Ashmawy","doi":"10.1039/D5RA05413C","DOIUrl":"10.1039/D5RA05413C","url":null,"abstract":"<p >A multi-target and molecular hybridization drug design approach was used in the design and synthesis of novel 6-acetylnaphthalene-2-sulfonamide derivatives (<strong>5a–5j</strong>) for anticancer and antimicrobial evaluation. The compounds <strong>5a</strong>, <strong>5b</strong>, <strong>5e</strong>, and <strong>5i</strong> revealed the most cytotoxic activity against the human breast cancer cell line (MCF7) with a good safety profile against the normal Madin–Darby canine kidney cell line (MDCK). Compounds <strong>5b</strong> and <strong>5i</strong> exhibited significant antiproliferative activity in MCF7 cells by downregulating IL6, JAK2, STAT3, BCL2, Cyclin D1, and c-MYC, while upregulatiing BAX expression levels, relative to control values, as confirmed by qRT-PCR analysis. Moreover, the antibacterial and anti-mycotic activities for <strong>5a–5j</strong> were assessed, and the minimum inhibitory concentration (MIC) was evaluated for the promising compounds. In <em>in vitro</em> enzymatic assays, compounds <strong>5e</strong> and <strong>5b</strong> potently inhibited STAT3 phosphorylation with IC<small>₅₀</small> = 3.01 μM and 3.59 μM, respectively, compared with cryptotanshinone (IC<small>₅₀</small> = 3.52 μM); compound <strong>5b</strong> potently inhibited topoisomerase IV (IC<small>₅₀</small> = 5.3 μg mL<small>⁻¹</small>, norfloxacin IC<small>₅₀</small> = 8.24 μg mL<small>⁻¹</small>) and moderately inhibited DNA gyrase in <em>E. coli</em>; and compound <strong>5e</strong> effectively inhibited topoisomerase IV (IC<small>₅₀</small> = 7.65 μg mL<small>⁻¹</small>, norfloxacin IC<small>₅₀</small> = 7.07 μg mL<small>⁻¹</small>) and moderately inhibited DNA gyrase in <em>S. aureus</em>. Finally, SAR was discussed, revealing the essential role of the <em>N</em>-aryl and/or heteroaryl moiety in directing the biological activity of each compound towards a specific target. An <em>in silico</em> study was performed to predict ADME and docking for the promising hybrids. Collectively, the 6-acetylnaphthalene-2-sulfonamide hybrids suppressed MCF7 cell proliferation and induced apoptosis <em>via</em> modulation of the IL6/JAK2/STAT3 signaling pathway and representing promising building blocks as STAT3 inhibitors and antimicrobial leads for future modifications.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 44","pages":" 37391-37411"},"PeriodicalIF":4.6,"publicationDate":"2025-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12502093/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145249073","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}