RSC Advances最新文献

{"title":"Manganese-based nanotheranostics synergizing photothermal-chemotherapy for liposarcoma treatment","authors":"Wenhua Zhan, Shangting Du, Tianyi Zhu, Yingying Liu, Lingyu Li, Yueyang Gao, Yijun Lu and Wei Wang","doi":"10.1039/D5RA03568F","DOIUrl":"10.1039/D5RA03568F","url":null,"abstract":"<p >Liposarcoma (LPS), the most common subtype of soft tissue sarcoma, presents significant therapeutic challenges due to its high heterogeneity, frequent recurrence, and adverse effects on conventional treatments. In this study, we developed multifunctional manganese-based nanotheranostics by integrating Mn<small>₃</small>O<small>₄</small> nanoparticles (Mn<small>₃</small>O<small>₄</small> NPs), doxorubicin (DOX), and photosensitizer IR-780, with surface modification using polydopamine (PDA). The manganese-DOX-IR-780 nanoparticles (MDI NPs) exhibited a uniform particle size distribution, excellent colloidal stability, biocompatibility, and pH-responsive drug release capability. Additionally, they achieved efficient photothermal heating, reaching temperatures of 70–80 °C, with a photothermal conversion efficiency (PCE) of 47.6%. Notably, the longitudinal relaxivity of MDI NPs (<em>r</em><small>₁</small> = 1.827 mM<small>⁻¹</small> s<small>⁻¹</small>) was 10.02-fold higher than that of Mn<small>₃</small>O<small>₄</small> NPs (<em>r</em><small>₁</small> = 0.1824 mM<small>⁻¹</small> s<small>⁻¹</small>), demonstrating its potential as an efficient MRI contrast agent for real-time therapeutic monitoring, with favorable <em>in vivo</em> MRI imaging performance. <em>In vitro</em> experiments revealed that MDI NPs effectively inhibited LPS cell growth with a strong synergistic effect (combination index, CI = 0.17). <em>In vivo</em> studies showed that MDI NPs could accumulate at tumor sites and sustain drug release for over 72 hours. Under mild photothermal conditions (43–45 °C), MDI NPs achieved a remarkable tumor suppression rate of 94.3% and a cure rate of 75%. This study provides a novel, low-toxicity, and highly effective theranostic strategy to overcome the therapeutic challenges of LPS, with significant clinical translation potential.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 44","pages":" 36907-36923"},"PeriodicalIF":4.6,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12498137/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145243279","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":"Influence of praseodymium(iii) chloride on corrosion resistance of AS1020 steel in an environment containing chloride ions and carbon dioxide","authors":"Casen Panaitescu, Thi-Bich-Ngoc Dao, Cam-Tu Hoang-Ngoc, Nhi Ngoc Nguyen, Trung T. Pham, Minji Kim, Tuan Le Minh and Thanh Liem Huynh","doi":"10.1039/D5RA05060J","DOIUrl":"10.1039/D5RA05060J","url":null,"abstract":"<p >Rare earth salts (RESs) are considered one of the good choices for anticorrosion due to their high inhibition efficiency <em>via</em> the suppression of oxygen reduction reactions. In this work, praseodymium chloride (PrCl<small>₃</small>) was used as a potential inhibitor that can become a promising candidate for mitigating mild steel corrosion in environments rich in chloride and carbon dioxide. The results of electrochemical and surface analyses indicated that mild steel was protected from corrosion in a CO<small>₂</small>-saturated sodium chloride solution throughout 72 hours immersion when PrCl<small>₃</small> was added to the solution. This was evidenced through considerably reduced corrosion current density, increased protective and charge transfer resistances, especially, random redistribution of minor anodes, as well as less corrosion-induced damages on the steel surfaces. Tafel extrapolations were applied to estimate the inhibition efficiency of PrCl<small>₃</small>, achieving the highest value of 96.33 ± 0.47 % at 2.4 mM PrCl<small>₃</small>. This positive result is primarily attributed to the formation of the barrier layer from praseodymium oxides and hydroxides in combination with iron(<small>II</small>)-based products. Based on these findings, this work recommends a potential inhibitor for mitigating mild steel corrosion in aqueous media containing carbon dioxide and chloride ions.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 44","pages":" 36981-36992"},"PeriodicalIF":4.6,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12498226/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145243287","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":"Application of photoluminescent materials in cultural relics protection","authors":"Yang Wang, Shiqiang Fang, Xueqiang Chen and Sheng Chen","doi":"10.1039/D5RA05991G","DOIUrl":"10.1039/D5RA05991G","url":null,"abstract":"<p >At present, issues such as counterfeiting of cultural relics, damage to cultural relics, and difficulties in the restoration and detection of cultural relics are urgent problems to be solved in cultural relics protection. Therefore, it is necessary to develop protective materials for cultural relics to prevent their counterfeiting, delay their damage, and achieve visual detection. Photoluminescent materials match well with the requirements of protecting cultural relics and have become a research hotspot in cultural relics protection due to their advantages of rich optical properties, low damage potential, high chemical stability, and safety. This study firstly introduces the luminescence mechanisms and main synthesis strategies of photoluminescent materials. Then, the research status of the photoluminescent materials in cultural relics protection in recent years is elaborated in detail, and four types of applications of photoluminescent materials in cultural relics protection (anticounterfeiting of cultural relics, anti-aging of cultural relics, damage monitoring of cultural relics, and restoration detection of cultural relics) are summarized and concluded. Finally, the problems and challenges faced in the application of photoluminescent materials in cultural relics protection are pointed out, and future development directions are proposed.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 44","pages":" 37074-37089"},"PeriodicalIF":4.6,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12498331/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145243301","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":"Green synthesis of magnetic bio-Graphene nanohybrid for the immobilization of hydrolytic enzymes towards sustainable bioconversion of cellulose","authors":"Christina Alatzoglou, Michaela Patila, Panagiotis G. Ziogas, Anastasia Skonta, Despoina Politi, Konstantinos Spyrou, Angela S. Kaloudi, Alexios P. Douvalis, Dimitrios P. Gournis and Haralambos Stamatis","doi":"10.1039/D5RA06271C","DOIUrl":"10.1039/D5RA06271C","url":null,"abstract":"<p >In this work, we report a green and sustainable synthetic route for producing magnetic few-layer bio-Graphene (MbG) for the first time. Bio-Graphene (bG) was prepared <em>via</em> a green method using an aqueous olive leaf extract (OLE) as both the exfoliating and stabilizing agent, aiming to reduce the environmental impact of the traditional chemical methods. In the following step, iron oxide nanoparticles were created <em>in situ</em> on bG-OLE <em>via</em> co-precipitation using ferrous precursors. MbG was subsequently used to support the co-immobilization of cellulase (cel) and β-glucosidase (bgl), enabling the design of a recyclable, magnetically separable nanobiocatalyst. Various spectroscopic and microscopic techniques were employed to characterize the produced MbG and the resulting nanobiocatalysts. Both simultaneous and sequential immobilization strategies were applied to evaluate the synergy between cel and bgl. Several parameters were studied, such as the support-to-enzyme mass ratio, immobilization incubation time, and the order in which the enzymes were added. Although the 1-hour simultaneous co-immobilization resulted in low cel and bgl immobilization yields, the highest specific activity was observed (∼0.33 units mg<small>⁻¹</small>). Moreover, the bi-enzymatic nanobiocatalyst demonstrated better reusability for carboxymethyl (CMC) and microcrystalline cellulose (Avicel) hydrolysis compared to the mono-enzymatic nanobiocatalyst. Subsequently, the mono- and bi-enzymatic systems were employed in continuous-flow microreactors for the hydrolysis of CMC towards glucose production. The bi-enzymatic system exhibited significantly higher turnover frequency (TOF) (0.105 h<small>⁻¹</small>) and operational stability than the mono-enzymatic system (0.029 h<small>⁻¹</small>). The entire synthetic route is characterized by a minimal environmental footprint, offering a platform for sustainable bioprocessing.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 44","pages":" 37194-37208"},"PeriodicalIF":4.6,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12498520/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145243263","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":"Development of high-silica fly ash-based adsorbents for efficient dye removal from wastewater: a comparative study of MSAM and SDS/FA","authors":"Xuying Guo, Xiaoyue Zhang, Xinle Gao, Yanrong Dong, Zilong Zhao and Honglei Fu","doi":"10.1039/D5RA05953D","DOIUrl":"10.1039/D5RA05953D","url":null,"abstract":"<p >Solid waste fly ash is challenged by accumulation, storage, low comprehensive utilization, insufficient high-value use technologies, and environmental and ecological risks. Owing to its high silicon content and superior adsorption capability, two novel adsorbents—mesoporous silicon aluminum material (MSAM) and sodium dodecyl sulfate modified fly ash (SDS/FA)—were prepared using ultrasonic-assisted, alkali fusion–hydrothermal, and surface modification methods. Their ability to enhance the adsorption of dyes (MB, MV) on high-silica fly ash through various modification strategies was explored. The effects of the alkali-to-ash ratio, ultrasonic time, hydrothermal time, and hydrothermal temperature on MSAM adsorption were evaluated, and the optimal preparation conditions were determined using Box–Behnken response surface methodology. Likewise, the impact of particle size, SDS dosage, ultrasonic time, and oscillation time on the SDS/FA system was analyzed, and optimal conditions were established. XRD, SEM, FTIR, and BET were used for characterization. Dynamic column experiments assessed the performance of SDS/FA in removing MB and MV from dye wastewater. Results showed that: (1) MSM and SDS/FA optimal preparation conditions were determined, with MSAM (alkali-to-ash ratio 1.2 : 1, ultrasonic 20 min, hydrothermal 8 h, 100 °C) achieving 94.70% and 80.05% removal for MB and MV, respectively; SDS/FA (0.25–0.38 mm, 3 g SDS, 20 min ultrasound, 8 h oscillation) achieved 85.33% and 95.38%. Characterization revealed significantly enhanced surface area and active sites. (2) Dynamic experiments demonstrated that SDS/FA columns increased MB and MV removal by 34.41% and 37.92% compared to high-silica fly ash, with stable effluent pH over time. The static adsorption of MSAM supports its application in dye wastewater treatment, and the structure–property relationship provides a new pathway for the high-value use of fly ash.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 42","pages":" 35158-35174"},"PeriodicalIF":4.6,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12498789/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145243281","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":"pTSA-catalyzed synthesis of functionalized chromeno[2,3-d]pyrimidine/chromeno[4,3-b]chromene derivatives via one-pot three component reaction: mechanistic insights and variable temperature NMR studies to investigate restricted bond rotation","authors":"Yogesh Bhaskar Singh Tanwer, Suman Sourabh, Sabyasachi Bhunia, Sanchari Pal and Debjit Das","doi":"10.1039/D5RA06198A","DOIUrl":"10.1039/D5RA06198A","url":null,"abstract":"<p >In this study, an efficient and convenient three-component cyclization protocol is presented for the development of synthetically important chromeno[2,3-<em>d</em>]pyrimidine/chromeno[4,3-<em>b</em>]chromene derivatives <em>via p</em>TSA-catalyzed reaction of substituted salicylaldehyde, 1,3-dimethylbarbituric acid/4-hydroxycoumarin, and electron-rich arenes at 80 °C in the presence of ethanol. In addition, variable temperature (VT) <small>¹</small>H &amp;<small>¹³</small>C NMR spectroscopy is used to study the dynamic Csp<small>²</small>–Csp<small>³</small> bond between the electron-rich aryl group and the benzylic sp<small>³</small>-carbon. Furthermore, our development is simple and economical, tolerates many functional groups, works with a wide variety of substrates, produces exceptional yields, does not require column chromatography, and allows for scalable synthesis—all of which support the basic principles of green chemistry.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 44","pages":" 37090-37098"},"PeriodicalIF":4.6,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12499413/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145243344","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":"Effect of NaCl on the luminescent behavior of CsI thin films","authors":"Saurabh Singh, Xiyu Wen and Fuqian Yang","doi":"10.1039/D5RA05682A","DOIUrl":"10.1039/D5RA05682A","url":null,"abstract":"<p >In recent years, several reports have shed light on the growing interest in modulating the optoelectronic properties of cesium iodide (CsI) thin films for enabling their application in low-cost and eco-friendly luminescent devices. However, traditional techniques used for such modification like annealing, doping, and nano-structuring, often demand high temperatures or vacuum processing, limiting their large-scale scalability. Herein, we report a simple, eco-friendly method to tailor the luminescent properties of CsI thin films by incorporating NaCl <em>via</em> a simple aqueous based, low-temperature (∼50 °C) process. CsI/NaCl films prepared in a 1 : 1 molar ratio of CsI and NaCl, exhibited strong UV-excited photoluminescence at ∼415 nm, with significantly longer radiative decay times (<em>τ</em><small>₃</small> = 63.2 ns) than pure CsI films (<em>τ</em><small>₃</small> = 27.94 ns), indicating suppressed non-radiative recombination likely due to partial defect passivation by Na<small>⁺</small> ions at grain boundaries or surfaces. Moreover, a weaker broad emission, attributed to deep trap states, was also observed at ∼531 nm under this UV excitation of ∼365 nm wavelength. Notably, humidity-controlled studies revealed that both PL intensity and emission wavelength increase with relative humidity (RH) up to ∼50%, then decline at higher humidity due to moisture-induced defects and Na<small>⁺</small> ion migration. Furthermore, XRD and SEM/EDS analyses confirmed mixed-phase domains and interface-rich regions that contributed to such moisture sensitive behavior of these films. Overall, this low-cost, solution-based strategy offers a scalable route to tune optical properties and stability in halide films <em>via</em> green technology for optoelectronic applications.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 44","pages":" 36993-37005"},"PeriodicalIF":4.6,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12498220/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145243252","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":"Energetic plasticizers for GAP-based formulations with ADN: compatibility and performance evaluation of a nitrofurazanyl ether","authors":"Patrick Lieber, Uwe Schaller and Thomas M. Klapötke","doi":"10.1039/D5RA05154A","DOIUrl":"10.1039/D5RA05154A","url":null,"abstract":"<p >Glycidyl azide polymer (GAP) diol is an energetic binder with azide-functionalized side chains that offer a high enthalpy of formation. When formulated with ammonium dinitramide (ADN), GAP-based systems exhibit promising energetic and ballistic performance. However, GAP suffers from poor mechanical properties compared to inert binders such as hydroxyl-terminated polybutadiene (HTPB). As a result, plasticization is essential to lower the glass transition temperature of GAP. Energetic plasticizers can enhance both mechanical and energetic performance. In this study, we evaluated the compatibility of a novel nitrofurazanyl ether-based energetic plasticizer, NFPEG3N3, with key formulation components: GAP diol, HMX, Desmodur N100, and ADN. Compatibility was assessed using heat-flow microcalorimetry (HFMC) and thermogravimetry (TG), in accordance with STANAG 4147. NFPEG3N3 was found to be compatible with GAP diol, HMX, and N100. Although the NFPEG3N3–ADN mixture passed the HFMC (remaining below the 1% heat of explosion threshold), it failed TG, indicating potential concerns with long-term thermal stability. Performance calculations showed that replacing 15 wt% of GAP with NFPEG3N3 in a composite propellant increased the volume-specific impulse by 77 N s dm<small>⁻³</small>. Additionally, formulations incorporating NFPEG3N3 demonstrated a superior oxygen balance and higher volume-specific impulse compared to those using the widely adopted energetic plasticizer Bu-NENA.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 44","pages":" 37006-37011"},"PeriodicalIF":4.6,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12498327/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145243284","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":"Synthesis and biological evaluation of novel carnosic acid derivatives with anticancer activity","authors":"Sara P. S. P. Moura, Marta Cascante, Ismael Rufino, Rita C. Guedes, Silvia Marin and Jorge A. R. Salvador","doi":"10.1039/D5RA02441B","DOIUrl":"10.1039/D5RA02441B","url":null,"abstract":"<p >Novel derivatives of carnosic acid <strong>1</strong> with ester or carbamate groups at C-20 and derivatives with these functional groups combined with benzylic modifications (C-7) were synthesized and evaluated in a colorectal cancer cell line (HCT116). Compound <strong>8</strong>, which featured a butyl ester at C-20 and a carbonyl group at C-7, and compound <strong>17</strong>, which featured a 2-methylpropyl carbamate at C-20, achieved the best results in HCT116 cells. Compounds <strong>8</strong> and <strong>17</strong> also demonstrated better ability to inhibit the growth of other cancer cell lines than CA <strong>1</strong>. In general, the best results were achieved with compound <strong>17</strong>, which exhibited higher potency against SW480 cells (IC<small>₅₀</small> = 6.3 μM). This compound also showed selectivity for cancer cells compared to normal cells. Compound <strong>17</strong> was subjected to additional studies to elucidate the mechanism responsible for its antiproliferative activity in SW480 cells. At 24 h, compound <strong>17</strong> arrested the cell cycle at the G0/G1 phase by decreasing the CDK4/CDK6 levels. It also reduced ROS levels by increasing the expression of SOD2/MnSOD. However, at 48 h, compound <strong>17</strong> induced cell cycle arrest in the S phase and increased ROS levels. At 72 h, compound <strong>17</strong> elevated the ROS levels without inducing cell cycle arrest. Additionally, molecular docking studies showed that compound <strong>17</strong> establishes several interactions with the amino acids of the CDK6 active site. In conclusion, compound <strong>17</strong> is a promising candidate for the development of novel anticancer drugs.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 44","pages":" 36861-36878"},"PeriodicalIF":4.6,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12498136/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145243334","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":"Synthesis, in silico and in vitro studies of aminopyrimidine hybrids as EGFR TK inhibitors and anti-proliferative agents","authors":"Wael Shehta, Basant Farag, Shaker Youssif, Samar El-Kalyoubi and Sherin M. Elfeky","doi":"10.1039/D5RA02524A","DOIUrl":"10.1039/D5RA02524A","url":null,"abstract":"<p >In this article, two series of pyrimidine hybrids, 2-((4-amino-6-(1,3-dioxoisoindolin-2-yl)pyrimidin-2-yl)thio)-<em>N</em>′-(alkylbenzylidene)acetohydrazides (<strong>6a–g</strong>) (Series <strong>I</strong>) and 6-amino-5-((alkylamino)(phenyl)methyl)pyrimidine-2,4(1<em>H</em>,3<em>H</em>)-diones (<strong>10a–d</strong>) (Series <strong>II</strong>), were synthesized using catalyst-free condensation of acid hydrazide <strong>4</strong> with different aromatic aldehydes and nucleophilic substitution reactions of chloromethylpyrimidine with different aliphatic amines , respectively. Compared to gefitinib (IC<small>₅₀</small> = 4.1 ± 0.01 μM) and thalidomide (IC<small>₅₀</small> = 13.4 ± 0.5 μM), compounds <strong>6c</strong> and <strong>10b</strong> exhibited moderate anti-proliferative activity against the MCF-7 breast cancer cell line, with IC<small>₅₀</small> values of 37.7 ± 3.6 and 31.8 ± 2.0 μM, respectively. They demonstrated selective cytotoxicity toward MCF-7 cells over normal WI38 fibroblasts, with IC<small>₅₀</small> values of 87.3 ± 2.6 μM (<strong>6c</strong>) and &gt;100 μM (<strong>10b</strong>). Both compounds showed potent <em>in vitro</em> EGFR-TK enzyme inhibition, with IC<small>₅₀</small> values of 0.9 ± 0.03 μM (<strong>6c</strong>) and 0.7 ± 0.02 μM (<strong>10b</strong>). Molecular docking simulations revealed that <strong>6c</strong> and <strong>10b</strong> effectively bind to the EGFR ATP-binding site, forming hydrogen bonds with the key hinge region amino acid Met793, similar to gefitinib. <em>In silico</em> studies confirmed that both compounds fit the criteria for orally bioavailable drug candidates, showing high gastrointestinal absorption and no predicted adverse effects on the central nervous system or liver. Additionally, both compounds were predicted to be non-carcinogenic and non-mutagenic.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 44","pages":" 36895-36906"},"PeriodicalIF":4.6,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12498222/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145243345","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}