Frontiers in Chemistry最新文献

{"title":"Bis(7)-harmine derivatives as potential multi-target anti-Alzheimer agents.","authors":"Hongtao Du, Fang Ma, Yuanyuan Cao, Miaoyan Bai, Xinyi Gao, Ziyi Yang, Yang Xu, Yan Yan","doi":"10.3389/fchem.2025.1545908","DOIUrl":"https://doi.org/10.3389/fchem.2025.1545908","url":null,"abstract":"<p><strong>Introduction: </strong>The multi-targeted ligands (MTDL) strategy has been recognized as a promising Approach for the development of effective treatments against Alzheimer's disease (AD), due to the presence of multiple pathological mechanisms in AD. In this study, a series of bis(7)-harmine derivatives were designed and synthesized as multifunctional drugs for the treatment of AD.</p><p><strong>Methods: </strong>The derivatives were synthesized by chemical methods and their structure was confirmed by nuclear magnetic resonance (NMR). The Ellman's assay was utilized to assess the inhibitory potential of derivatives against <i>h</i>AChE and <i>h</i>BuChE. The inhibitory activity of these derivatives on both <i>h</i>MAO-A and <i>h</i>MAO-B was assessed using a fluorescence-based method. The thioflavin T (Th-T) fluorescence assay was used to assess the inhibition of A<i>β</i> _1-42 self-aggregation. The cytotoxicity was evaluated using the MTT assay. The Surflex-Dock program in Sybyl-X2.0 Software was employed for molecular docking.</p><p><strong>Results: </strong><i>In vitro</i> studies revealed that numerous synthesized compounds exhibited potent inhibitory activity against <i>h</i>AChE, and <i>h</i>MAO-B (IC₅₀ < 1 μM), as well as A<i>β</i> _1-42 aggregation (IC₅₀ < 20 μM). Importantly, the multitarget compounds <b>6d</b>, <b>8c</b>, and <b>8d</b> exhibited remarkable efficacy in simultaneously mitigating A<i>β</i>-induced toxicity in SH-SY5Y cells while demonstrating minimal cytotoxicity. Furthermore, predicted ADMET results suggested that <b>6d</b>, <b>8c</b>, and <b>8d</b> possessed favorable pharmacokinetic properties and demonstrated low toxicity levels. Additionally, molecular docking studies of 6d within the activesites of <i>h</i>AChE, <i>h</i>MAO-B, and A<i>β</i> _1-42 elucidated the inhibition mechanism.</p><p><strong>Discussion and conclusion: </strong>Based on these findings, it is evident that <b>6d</b>, <b>8c</b>, and <b>8d</b> hold potential as promising multi-functional drugs for AD treatment.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1545908"},"PeriodicalIF":3.8,"publicationDate":"2025-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11813896/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143406631","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":"Microfluidic biosensors for rapid detection of foodborne pathogenic bacteria: recent advances and future perspectives.","authors":"Jian Zhang, Chuanlong Ma, Yaping Du, Jiangbo Huang, Li Xue","doi":"10.3389/fchem.2025.1536928","DOIUrl":"https://doi.org/10.3389/fchem.2025.1536928","url":null,"abstract":"<p><p>Rapid detection of foodborne pathogenic bacteria is critical for ensuring food safety and preventing foodborne disease outbreaks. Traditional detection methods, while accurate, are often time-consuming and labor-intensive, making rapid detection technologies a pressing need. Microfluidic biosensors have emerged as a powerful solution, offering high sensitivity, specificity, and rapid analysis with minimal sample volume. In this review, we summarize recent advances in microfluidic biosensor technology, highlighting innovations in detection techniques such as electrochemical and optical microfluidic biosensors. We have also introduced microfluidic components, which are crucial for the implementation of microfluidic biosensors. Based on the current state of this technology development, we finally provide several most important recommendations for future research directions in this emerging research area, which may enable widespread commercialization and adoption in the food industry.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1536928"},"PeriodicalIF":3.8,"publicationDate":"2025-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11815284/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143406574","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":"Establishment and evaluation of a UPLC-MS/MS method for simultaneous determination of bongkrekic acid and dehydroacetic acid in rice noodles.","authors":"Lingguo Zhao, Ronggui Lv, Jiang Song, Xi Chen, Lei Lei, Weixian Zeng, Miaowen She, Dabing Li, Xiaxia Yu, Zhanguo Liu, Xiao Wang, Yong Liu","doi":"10.3389/fchem.2024.1386635","DOIUrl":"10.3389/fchem.2024.1386635","url":null,"abstract":"<p><p>A UPLC-MS/MS method with one-step extraction and simultaneous determination of bongkrekic acid (BA) and dehydroacetic acid (DHA) in rice noodles has been established in this study for the first time. The extraction solvent consisted of a mixture of methanol, ammonia, and water. Electrospray ionization negative ion mode (ESI-) was used for multiple reaction detection and external standard method was used for quantitative determination. The method demonstrated a good linearity range of 0-50 ng/mL with a correlation coefficient (r) of 0.9998 for BA, and showed a linearity range of 0∼500 ng/mL with r of 0.9993 for DHA. The limits of detection (LOD) were determined to be 0.1 μg/kg for BA and 0.6 μg/kg for DHA. Additionally, the method exhibited good recovery of 90.1%∼105.4% for BA and 80.4%∼102% for DHA. Meanwhile, the method also exhibited good precision with RSD of 0.4%∼7.5% for BA, and with RSD of 4.5%∼11.4% for DHA. Furthermore, the established method was sucessfully applied to the analysis of rice noodles from two production enterprises. BA was detected in one rice noodle sample and DHA was detected in 7 rice noodle samples in the enterprises A which was the manufacturer of food consumed by the poisoned patient. To investigate the cause of death of the poisoned patient, the toxigenic bacterium <i>Burkholderia gladiolus</i> was isolated and cultured to produce BA. The results showed that the established method could also be used to qualitatively screen BA and its isomer isobongkrekic acid (IBA) in GVC enrichment broth, potato glucose agar and rice sample, which facilitates a rapid and accurate judgement of whether the isolated bacterium strain produces BA. With high sensitivity and accuracy, and simple sample pretreatment, the proposed method shows potential for safety assessment of the entire production process of rice-derived products, addressing a significant public health concern.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"12 ","pages":"1386635"},"PeriodicalIF":3.8,"publicationDate":"2025-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11811775/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143398455","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":"Investigating Raman peak enhancement in carboxyl-rich molecules: insights from Au@Ag core-shell nanoparticles in colloids.","authors":"Junhao Chen, Zhengjia Chen, Tong Liang, Zhennan Zhang, Dahang Cheng, Shurui Liu, Haiyang Liu, Cuicui Liu, Xiaohui Song","doi":"10.3389/fchem.2025.1522043","DOIUrl":"10.3389/fchem.2025.1522043","url":null,"abstract":"<p><p>Surface-enhanced Raman scattering (SERS) is a promising analytical technique with applications in environmental monitoring, healthcare, and the biopharmaceutical industry. While SERS has been successfully applied to molecules such as 4-mercaptobenzoic acid and other thiol- and amine-containing compounds, there is limited research on its detection capabilities for molecules rich in carboxyl groups or unsaturated bonds, such as citric acid. This study investigates the SERS enhancement of Au@Ag core-shell nanoparticles in response to citric acid and other molecules with carboxyl and unsaturated bonds. We compare the SERS behavior of nanoparticles in freshly prepared and aged sodium citrate solutions to identify differences in Raman peak enhancement. Our findings show that the Au@Ag core-shell nanoparticles exhibit significant SERS enhancement when exposed to citric acid and other related compounds. The enhancement varies based on the age of the sodium citrate solution, which influences the structural properties of the nanoparticles. This work opens avenues for further research and applications in biological monitoring, environmental testing, and the pharmaceutical industry.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1522043"},"PeriodicalIF":3.8,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11808131/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143390535","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":"Preparation of p-type Fe₂O₃ nanoarray and its performance as photocathode for photoelectrochemical water splitting.","authors":"Xiaoli Fan, Fei Zhu, Zeyi Wang, Xi Wang, Yi Zou, Bin Gao, Li Song, Jianping He, Tao Wang","doi":"10.3389/fchem.2025.1526745","DOIUrl":"10.3389/fchem.2025.1526745","url":null,"abstract":"<p><p>Photoelectrochemical (PEC) water splitting has the potential to convert solar energy into chemical energy, emerging as a promising alternative to fossil fuel combustion. In PEC systems, p-type semiconductors are particularly noteworthy for their ability to directly produce hydrogen. In this work, Fe₂O₃ with p-type semiconductor properties grown directly on the conductive glass substrate were successfully synthesized through a simple one-step hydrothermal method. The analysis results indicate that the Fe₂O₃ exhibits a spindle shaped nanoarray structure and possesses a small band gap, thereby demonstrating excellent photoelectrochemical performance as a photocathode with photocurrent density of -23 μA cm^-2 at 0.4 V vs. RHE. Further band structure tests reveal that its conduction band position is more negative compared to the hydrogen evolution potential, highlighting its significant potential as a photocathode material.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1526745"},"PeriodicalIF":3.8,"publicationDate":"2025-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11802549/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143382029","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":"Anti-cancer activity of synthetic gefitinib-1,2,3-triazole derivatives against Hela cells via induction of apoptosis.","authors":"Zhihong Hu, Xixi Hou, Yongjing Ren, Ziyuan Wu, Dong Yan, Hong Chen, Lan Wang","doi":"10.3389/fchem.2025.1456743","DOIUrl":"10.3389/fchem.2025.1456743","url":null,"abstract":"<p><p>Cervical cancer ranks as the fourth most common cancer among women. However, the current treatments have significant side effects and limited therapeutic effects on advanced diseases, so it is necessary to discover better treatments for cervical cancer. The current study investigated the potential anticancer effects of a series of gefitinib-1,2,3-triazole derivative on Hela cells. Among the investigated, the target compound <b>c13</b> showed good anticancer activity against Hela cells (IC₅₀ = 5.66 ± 0.35 μM) compared with gefitinib (IC₅₀ = 14.18 ± 3.19 μM). Moreover, compound <b>c13</b> significantly inhibited the colony formation ability of Hela cells in a dose-dependent manner, accompanied by morphological changes in HeLa cells. Further investigations demonstrated that compound <b>c13</b> triggered cell apoptosis and arrested the cell cycle at the G2/M phase in Hela cells. In addition, western blot analysis revealed that compound <b>c13</b> upregulated the Bax/Bcl-2 ratio, and increased the levels of active caspase 3 and PARP1 cleavage, which suggested the involvement of the mitochondrial pathway in compound <b>c13</b>-induced apoptosis. In brief, these results indicated that compound <b>c13</b> is a promising compound for the treatment of cervical cancer.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1456743"},"PeriodicalIF":3.8,"publicationDate":"2025-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11802567/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143382026","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":"<i>Ferula communis</i> leaf extract: antioxidant capacity, UHPLC-MS/MS analysis, and <i>in vivo</i> and <i>in silico</i> toxicity investigations.","authors":"Imad Ed-Dahmani, Mohamed El Fadili, Ghizlane Nouioura, Fahd Kandsi, Yassine El Atki, Hatem A Abuelizz, Raffaele Conte, Fatima Zahra Lafdil, Abdeslam Taleb, Abdelfattah Abdellaoui, Mustapha Taleb","doi":"10.3389/fchem.2024.1485463","DOIUrl":"10.3389/fchem.2024.1485463","url":null,"abstract":"<p><strong>Introduction: </strong><i>Ferula communis</i> has demonstrated an abundance of pharmacological and antioxidative qualities.</p><p><strong>Methods: </strong>This study investigates the antioxidant activity of <i>F. communis</i> leaf aqueous extract, total polyphenol and flavonoid concentrations, and ultra-high-performance liquid chromatography (UHPLC) composition and then evaluates the toxicity of the plant's leaves <i>in vitro</i> and <i>in silico</i>. The major compound of the studied extract, namely, p-hydroxybenzoic acid, was chosen for a molecular docking technique to discover the inhibition mechanism toward antioxidant proteins. In addition, a detailed molecular dynamics simulation was carried out to examine the thermodynamic stability of the produced intermolecular interactions. The antioxidant capacity of the extracts of <i>F. communis</i> was evaluated using 2,2-diphenylpicryl hydroxyl (DPPH) radical and ferric reducing antioxidant power (FRAP) procedures. Acute toxicity was tested on albino mice at doses of 200, 300, and 400 mg/kg.</p><p><strong>Results: </strong>The results show that the polyphenol and flavonoid contents of the extract are significant (0.257 ± 0.003 mg Eq AG/mg and 0.32 ± 0.04 mg Eq Q/mg, respectively). The antioxidant activity illustrates that the extracts have notable activity in DPPH and FRAP assays. The toxicity study revealed that the mice's behavior, body weight, and organ weights (liver and kidneys) were unaffected by <i>Ferula communis</i> leaf extract administration compared to controls. UHPLC-tandem mass spectrometry (MS/MS) analysis of the extract highlights the presence of 11 compounds, the most abundant of which is p-hydroxybenzoic acid, representing 53.65%. The predicted pharmacokinetic characteristics of absorption, distribution, metabolism, excretion, and toxicity (ADMET) attest to the well-absorbed nature of the isolated compounds, with human intestinal absorption (HIA) varying from 42% for arbutin (M3) to 100% for ursolic acid (M4).</p><p><strong>Conclusion: </strong>In conclusion, the leaves of <i>Ferula communis</i> are a good source of natural antioxidants and phenolic compounds. Thus, this study demonstrates that this plant has a wide range of applications, including natural food preservatives, pharmaceuticals, and cosmetics, as evidenced by ongoing research.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"12 ","pages":"1485463"},"PeriodicalIF":3.8,"publicationDate":"2025-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11803407/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143382088","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":"Multi-step pre-treatment of rice husk for fractionation of components including silica.","authors":"Shinnosuke Ishida, Shinji Kudo, Shusaku Asano, Jun-Ichiro Hayashi","doi":"10.3389/fchem.2025.1538797","DOIUrl":"10.3389/fchem.2025.1538797","url":null,"abstract":"<p><strong>Introduction: </strong>Rice husk, a widely available agricultural by-product lignocellulosic biomass, is a promising and sustainable feedstock for organic and inorganic chemicals due to the rich silica content. However, its current application is largely limited, with most being incinerated as waste. This study introduces a novel multi-step pre-treatment process to fractionate these components efficiently, enabling their comprehensive valorization.</p><p><strong>Methods: </strong>The process begins with hydrothermal treatment, selectively extracting hemicellulose while preserving the structural integrity of other components. This is followed by an organosolv treatment using ethanol/water mixture, optimized to dissolve and extract organosolv lignin effectively. Subsequently, alkaline aqueous solution treatment under nitrogen atmosphere facilitates the recovery of silica as sodium silicate, a valuable industrial precursor. To ensure high-purity cellulose recovery, the final step employs alkaline hydrothermal processing under oxygen, achieving effective lignin depolymerization and removal.</p><p><strong>Results and discussion: </strong>Each step was carefully optimized, considering parameters such as temperature, solvent composition, and reaction time, to enhance selectivity and yield. Notably, this method reduces environmental negative impact by avoiding the use of acids while utilizing renewable solvents. The sequential application of these treatments resulted in separation exceeding 97% for hemicellulose, lignin, and silica, leaving high-purity cellulose with the loss of 22.8 wt%. Hemicellulose, organosolv lignin, and silica in the removed fractions were 66.5, 78.1, and 77.5 wt% at the first, second, and third treatments, respectively.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1538797"},"PeriodicalIF":3.8,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11798958/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143363824","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":"Microbial-based natural products as potential inhibitors targeting DNA gyrase B of <i>Mycobacterium tuberculosis</i>: an <i>in silico</i> study.","authors":"Tilal Elsaman, Magdi Awadalla Mohamed, Malik Suliman Mohamed, Eyman Mohamed Eltayib, Abualgasim Elgaili Abdalla","doi":"10.3389/fchem.2025.1524607","DOIUrl":"10.3389/fchem.2025.1524607","url":null,"abstract":"<p><strong>Introduction: </strong>Since the emergence of <i>Mycobacterium tuberculosis</i> (MBT) strains resistant to most currently used anti-tubercular drugs, there has been an urgent need to develop efficient drugs capable of modulating new therapeutic targets. Mycobacterial DNA gyrase is an enzyme that plays a crucial role in the replication and transcription of DNA in MBT. Consequently, targeting this enzyme is of particular interest in developing new drugs for the treatment of drug-resistant tuberculosis, including multidrug-resistant tuberculosis (MDR-TB) and extensively drug-resistant tuberculosis (XDR-TB).</p><p><strong>Methods: </strong>In the present study, multiple computational tools were adopted to screen a microbial-based natural products database (NPAtlas) for potential inhibitors of the ATPase activity of MBT DNA gyrase.</p><p><strong>Results and discussion: </strong>Twelve hits were initially identified as the top candidates based on their docking scores (ranging from -9.491 to -10.77 kcal/mol) and binding free energies (-60.37 to -73.21 kcal/mol). Following this, computational filters, including ADME-T profiling and pharmacophore modeling, were applied to further refine the selection. As a result, three compounds 1-Hydroxy-D-788-7, Erythrin, and Pyrindolol K2 emerged as the most promising, exhibiting favorable drug-like properties. Notably, 1-Hydroxy-D-788-7, an anthracycline derivative, demonstrated superior binding affinity in molecular dynamics simulations. The RMSD values, ranging from 1.7 to 2.5 Å, alongside RMSF analysis and a detailed evaluation of the established interaction forces, revealed that 1-Hydroxy-D-788-7 was the strongest binder to Mycobacterial DNA Gyrase B. The stable binding and favorable interaction profile highlighted 1-Hydroxy-D-788-7 as a top hit. These comprehensive computational findings strongly support the potential of 1-Hydroxy-D-788-7 as an effective anti-TB lead compound, warranting further experimental validation to confirm its therapeutic efficacy.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1524607"},"PeriodicalIF":3.8,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11798933/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143363619","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":"3D convective flow in a hybrid nanofluid filled bi-truncated-pyramid equipped with adiabatic cylinders.","authors":"Mohammed A Almeshaal","doi":"10.3389/fchem.2024.1522372","DOIUrl":"10.3389/fchem.2024.1522372","url":null,"abstract":"<p><p>This study consists of an investigation of the 3D convective flow of hybrid nanofluids (HNFs) within a bi-truncated pyramid equipped with adiabatic cylinders, with a focus on the enhancement of natural convection (NC) heat transfer (HT). The use of HNFs, which is based on the combination of two different nanoparticles (NPs), provides improved thermal conductivity and stability, and leads to significant advantages in thermal management systems. Numerical simulations based of the FEM were performed to analyze the effects of Rayleigh number (Ra), nanoparticle volume fraction ( <math><mrow><mi>φ</mi></mrow> </math> ), and cylinders size (D) on the heat transfer and fluid flow (FF) within the pyramid. The results showed that at higher Ra and nanoparticle concentrations a significant enhancement of the HT occurs, and the average Nusselt number (Nu_a) was increased by up to 23% at a Ra = 10⁶ and <math><mrow><mi>φ</mi></mrow> </math> = 0.045. Concerning the adiabatic cylinders, it was found that the optimal cylinder diameter is D = 0.15, (balance between flow disturbance and heat transfer rate). The outputs of the current study are valuable in the optimization of the hybrid nanofluid applications for advanced thermal management solutions.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"12 ","pages":"1522372"},"PeriodicalIF":3.8,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11794254/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143255159","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}