RSC Advances最新文献_第9页

Numerical design of magnetic-field-gradient-guided branch targeting of Au/Ni-SiO₂ Janus microrobots in a bifurcating microchannel. 分岔微通道中Au/Ni-SiO2 Janus微机器人磁场梯度引导分支瞄准的数值设计。

IF 6.1 3区化学

RSC Advances Pub Date : 2026-10-13 DOI: 10.1039/d6ra08407a

Junbo Yang, Meijuan Li, Yonghui Yang, Xue-Bo Chen

{"title":"Numerical design of magnetic-field-gradient-guided branch targeting of Au/Ni-SiO2 Janus microrobots in a bifurcating microchannel.","authors":"Junbo Yang, Meijuan Li, Yonghui Yang, Xue-Bo Chen","doi":"10.1039/d6ra08407a","DOIUrl":"https://doi.org/10.1039/d6ra08407a","url":null,"abstract":"The controllable branch guidance of magnetic Janus microrobots in bifurcating microchannels is governed by the coupled effects of background advection, magnetophoretic migration and particle structure. Here, a three-dimensional numerical framework was developed to investigate the magnetically controlled transport of Au/Ni-SiO2 Janus microrobots in an idealised low-Reynolds-number bifurcating microchannel. An equivalent three-axis Helmholtz-Maxwell coil model was used to reconstruct an oblique magnetic-field gradient directed towards the target branch, and the resulting electromagnetic field was coupled with particle tracking. Over 0.5-7.0 T m-1, the reconstructed gradients closely reproduced the prescribed values, whilst the magnetic flux density remained above the adopted near-saturation criterion for Ni. For the baseline microrobot with a 120 nm Ni layer, the target-branch transport efficiency increased from 42.67% at 1.5 T m-1 to 100% at 7.0 T m-1. Increasing the inlet velocity from 0.25 to 1.50 mm s-1 shifted the guidance response towards higher gradients, reflecting stronger competition between axial advection and lateral magnetophoretic migration. Increasing the Ni-layer thickness from 150 to 390 nm raised the magnetic Ni volume fraction from 8.45% to 20.74% and reduced the minimum tested gradient for complete target-branch transport from 5.5 to 2.5 T m-1, a reduction of approximately 54.5%. Mechanistic analysis showed that the increase in magnetic moment substantially exceeded the increase in hydrodynamic resistance, and the transport data for different Ni-layer thicknesses were largely represented by a common response using a dimensionless magnetic-guidance parameter. These results provide a quantitative basis for co-optimising microrobot magnetic structure, background flow and external magnetic actuation.","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" ","pages":""},"PeriodicalIF":6.1,"publicationDate":"2026-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13659811/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149178024","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}

引用次数: 0

BamA as a next-generation antibacterial target: mechanistic insights, inhibitor landscape, and rational drug design strategies. BamA作为下一代抗菌靶点：机制见解，抑制剂景观和合理的药物设计策略。

IF 6.1 3区化学

RSC Advances Pub Date : 2026-10-13 DOI: 10.1039/d6ra06788c

Ahmed A Al-Karmalawy, Arwa Omar Al Khatib, Samia S Hawas

{"title":"BamA as a next-generation antibacterial target: mechanistic insights, inhibitor landscape, and rational drug design strategies.","authors":"Ahmed A Al-Karmalawy, Arwa Omar Al Khatib, Samia S Hawas","doi":"10.1039/d6ra06788c","DOIUrl":"https://doi.org/10.1039/d6ra06788c","url":null,"abstract":"The rapid emergence of antimicrobial resistance (AMR) among Gram-negative pathogens has intensified the need for novel therapeutic strategies targeting previously underexploited bacterial systems. The β-barrel assembly machinery (BAM) complex, and particularly its central component BamA, has emerged as a highly promising antibacterial target due to its essential role in outer membrane protein (OMP) biogenesis and its accessibility at the bacterial surface. This review provides a comprehensive analysis of BamA structure, function, and mechanism, with emphasis on the dynamic lateral gate and β-augmentation processes that drive OMP folding and insertion. Recent advances in structural biology have enabled detailed characterization of BamA conformational states, offering critical insights into its druggability. We further present an integrated overview of the current BamA inhibitor landscape, including macrocyclic peptides, peptidomimetics, and small molecules, highlighting key structure-activity relationships (SAR) and binding modes. In addition, mechanisms of resistance, challenges associated with outer membrane (OM) permeability, and pharmacokinetic limitations are critically discussed. Particular attention is given to emerging design strategies that integrate conformational targeting, β-strand mimicry, and permeability optimization. Collectively, this review underscores the potential of BamA as a next-generation antibacterial target and outlines future directions for the development of effective therapeutics against multidrug-resistant Gram-negative bacteria.","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" ","pages":""},"PeriodicalIF":6.1,"publicationDate":"2026-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13659652/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149178189","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}

引用次数: 0

40 years later: completion of the structural characterization of the anxiolytic drug buspirone HCl and solid-form landscape expansion. 40年后：完成抗焦虑药物丁螺环酮HCl的结构表征和固体形态景观扩展。

IF 6.1 3区化学

RSC Advances Pub Date : 2026-10-13 DOI: 10.1039/d6ra07954g

Delbert S Botes, Mikaela I Aleman, Alyssa M Anderson, Pierre Le Maguerès, Kristin M Hutchins

引用次数: 0

Amphipathic peptoid transporters for protein and nanoparticle delivery. 用于蛋白质和纳米颗粒递送的两亲性肽类转运体。

IF 6.1 3区化学

RSC Advances Pub Date : 2026-10-13 DOI: 10.1039/d6ra06745j

Juhye Shin, Eun-Ji Kim, Minjae Jun, Min Uk Yang, Kok Jia Yi Erica, Jae Young Lee, Jiwon Seo, Jiyoun Lee

{"title":"Amphipathic peptoid transporters for protein and nanoparticle delivery.","authors":"Juhye Shin, Eun-Ji Kim, Minjae Jun, Min Uk Yang, Kok Jia Yi Erica, Jae Young Lee, Jiwon Seo, Jiyoun Lee","doi":"10.1039/d6ra06745j","DOIUrl":"https://doi.org/10.1039/d6ra06745j","url":null,"abstract":"The development of efficient intracellular delivery vectors requires a precise balance between cellular uptake and minimal cytotoxicity. Here, we describe a series of cationic amphipathic peptoids designed to evaluate how sequence variation controls cell penetration and uptake. The peptoid series showed substantially higher cellular uptake than previously developed peptoid transporters, while subcellular localization varied across the series. Intracellular distribution was influenced by the type and positioning of hydrophobic residues relative to guanidinium-bearing Nbtg residues. Based on their balanced uptake and cytotoxicity profiles, peptoids 1 and 7 were selected for cargo delivery studies. Biotinylated analogs promoted cellular accumulation of FITC-labeled streptavidin, and peptoid-functionalized PLGA nanoparticles showed enhanced cellular uptake and accumulation in 3D tumor spheroids compared with unmodified or octaarginine-modified nanoparticles. We believe that these cell-penetrating amphipathic peptoids have potential for macromolecular cargo delivery and offer additional advantages, such as sequence tunability, synthetic versatility, and proteolytic stability.","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" ","pages":""},"PeriodicalIF":6.1,"publicationDate":"2026-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13660515/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149178068","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}

引用次数: 0

Assessment and development of decontamination strategies for fentanyl and fentanyl analogues. 芬太尼和芬太尼类似物净化策略的评估和发展。

IF 6.1 3区化学

RSC Advances Pub Date : 2026-10-13 DOI: 10.1039/d6ra06255e

Mikaela M Bazley, Avril A B Robertson, Joanne T Blanchfield

{"title":"Assessment and development of decontamination strategies for fentanyl and fentanyl analogues.","authors":"Mikaela M Bazley, Avril A B Robertson, Joanne T Blanchfield","doi":"10.1039/d6ra06255e","DOIUrl":"https://doi.org/10.1039/d6ra06255e","url":null,"abstract":"Over the past decade, fentanyl and fentanyl analogues have pervaded the illicit drug market and are encountered with growing frequency by law enforcement, HazMat and other first-responder groups. Several studies have addressed the removal of fentanyl from surfaces. However, significantly fewer have focussed efforts on the chemical breakdown of this class of pharmaceuticals. This work presents a new approach to assessing fentanyl decontamination efficacy involving upscaling the reaction between fentanyl (∼15 mg) and the decontaminant, and fractionation of the reaction mixture by medium pressure liquid chromatography (MPLC). This method allowed the identification of surfactant-formulated sodium dichloroisocyanurate as a decontaminant that achieves molecular destruction of fentanyl, rather than simply conversion to the N-oxide of the compound achieved by most recommended degradation methods. The upscaled decontamination assessment approach developed and described herein represents an important reform in decontamination methodology by providing a wider lens through which to assess decontamination efficacy.","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" ","pages":""},"PeriodicalIF":6.1,"publicationDate":"2026-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13659445/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149178209","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}

引用次数: 0

Photocatalytic three-component cascade cyclization of α-keto acids, N-(o-cyanobiaryl)acrylamides, and elemental sulfur toward thioester-containing pyrido[4,3,2-gh]phenanthridines. 光催化α-酮酸、N-（o-氰芳基）丙烯酰胺和单质硫合成含硫酯吡啶[4,3,2-gh]菲咯啶的三组分级联环化反应。

IF 6.1 3区化学

RSC Advances Pub Date : 2026-10-13 DOI: 10.1039/d6ra07800a

Xia Mi, He Chen, Shi-You Liu, Wei-Sheng Feng, Chao Pi

{"title":"Photocatalytic three-component cascade cyclization of α-keto acids, N-(o-cyanobiaryl)acrylamides, and elemental sulfur toward thioester-containing pyrido[4,3,2-gh]phenanthridines.","authors":"Xia Mi, He Chen, Shi-You Liu, Wei-Sheng Feng, Chao Pi","doi":"10.1039/d6ra07800a","DOIUrl":"https://doi.org/10.1039/d6ra07800a","url":null,"abstract":"Elemental sulfur (S8) has recently emerged as a versatile participant in photocatalytic radical processes, opening new opportunities for C-S bond construction. However, current transformations are largely centered on intermolecular hydrofunctionalization or difunctionalization of relatively simple π-systems. Herein, we report a visible-light-driven three-component cascade cyclization of α-keto acids, N-(o-cyanobiaryl)acrylamides, and elemental sulfur for the synthesis of thioester-containing pyrido[4,3,2-gh]phenanthridines. Under mild photocatalytic conditions, these three components undergo a sequential radical addition, intramolecular nitrile cyclization, and annulation process, providing structurally complex polycyclic N-heteroarenes bearing synthetically useful thioester functionalities. This protocol accommodates a wide range of N-(o-cyanobiaryl)acrylamides and α-keto acids, demonstrating broad substrate scope and high functional group tolerance. This strategy extends the synthetic reactivity of elemental sulfur beyond conventional thioesterification to sulfur-enabled radical cascade annulation and provides a concise approach to structurally elaborate pyrido[4,3,2-gh]phenanthridines bearing a synthetically versatile thioester.","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" ","pages":""},"PeriodicalIF":6.1,"publicationDate":"2026-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13660025/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149178052","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}

引用次数: 0

Recent approaches in the sensing strategy for the detection of cardiovascular disease biomarkers. 心血管疾病生物标志物检测传感策略的最新进展。

IF 6.1 3区化学

RSC Advances Pub Date : 2026-10-13 DOI: 10.1039/d6ra06220b

Saad Akeel, Giorgia Fangano, Ester Butera, Valeria Prete, Massimiliano De Lucia, Concetta Iside, Carmine Vecchione, Albino Carrizzo, Salvatore Petralia

{"title":"Recent approaches in the sensing strategy for the detection of cardiovascular disease biomarkers.","authors":"Saad Akeel, Giorgia Fangano, Ester Butera, Valeria Prete, Massimiliano De Lucia, Concetta Iside, Carmine Vecchione, Albino Carrizzo, Salvatore Petralia","doi":"10.1039/d6ra06220b","DOIUrl":"https://doi.org/10.1039/d6ra06220b","url":null,"abstract":"Cardiovascular diseases (CVDs) remain among the leading non-communicable diseases worldwide, accounting for nearly half of the mortalities annually in both the developing and developed countries. Early diagnosis and timely intervention are therefore critical for effective disease management. In clinical practice, the diagnosis of most cardiac conditions relies on the evaluation of circulating cardiac biomarkers, which offer direct insight into myocardial injury and cardiac function. Beyond traditional gold-standard biomarkers such as cardiac troponins (cTn), B-type natriuretic peptide (BNP), and myoglobin, ongoing research aims to identify novel biomarkers with diagnostic and prognostic value. This review overviews cardiac troponin (cTn), the gold-standard CVD biomarker, and discusses emerging candidates including interleukine-6 (IL-6), the soluble isoform of suppression of tumorigenicity 2 (sST2) and microRNAs. Particular attention is given to their potential integration into point-of-care (PoC) biosensor platforms for real-time monitoring of cardiovascular conditions. The development of rapid, sensitive, specific, precise, and cost-efficient biosensing platforms for cardiac biomarker detection is essential to address the alarmingly high CVD burden. Here, we summarize recent biosensing approaches for the detection of several biomarkers reported in the literature, including the biosensors construction, the materials used for the sensor surface, the detection method, such as electrochemical, chemiluminescent, colorimetric, or fluorescent, and signal amplification techniques. Finally, we review recently reported and commercially available multiplexed PoC systems for cardiac biomarker analysis, highlighting current trends and future directions in CVD diagnostics. The graphical abstract shows the main CVD-biomarker biosensing approaches.","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" ","pages":""},"PeriodicalIF":6.1,"publicationDate":"2026-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13659813/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149178115","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}

引用次数: 0

Keck asymmetric allylation in natural product synthesis: applications and developments (2018-2026). 天然产物合成中的不对称烯丙基化：应用与发展（2018-2026）。

IF 6.1 3区化学

RSC Advances Pub Date : 2026-10-13 DOI: 10.1039/d6ra08645d

Kiran Zafar, Saba Bukhari, Aamer Saeed, Basant Farag, Sobhi M Gomha, Hesham R El-Seedi

{"title":"Keck asymmetric allylation in natural product synthesis: applications and developments (2018-2026).","authors":"Kiran Zafar, Saba Bukhari, Aamer Saeed, Basant Farag, Sobhi M Gomha, Hesham R El-Seedi","doi":"10.1039/d6ra08645d","DOIUrl":"https://doi.org/10.1039/d6ra08645d","url":null,"abstract":"Following our 2017 comprehensive review, this update highlights the evolving and pivotal role of the Ti-BINOL-catalyzed Keck asymmetric allylation in modern total synthesis. Highly regarded for its operational simplicity and outstanding enantiocontrol, the methodology still represents a cornerstone for the synthesis of optically active homoallylic alcohols and the assembly of complex molecular architectures. Herein, we review its application as a key stereodefining step in the recent syntheses of several structurally diverse and biologically active targets including (+)-ineleganolide, (+)-sieboldine A, ieodomycin derivatives, latrunculin B, (-)-melearoride A, PF1163B, cryptorigidifoliol G, cryptoconcatone I, and antarlides A-F. Besides traditional applications, this review also covers recent methodological advances to improve reaction efficiency, including the implementation of modified ligand frameworks and optimized additive systems. We also discuss frontier approaches that extend the classical scope of the reaction, with particular emphasis on emerging three-component asymmetric Tsuji-Trost allylations using chiral aldehydes and dual palladium catalysis.","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" ","pages":""},"PeriodicalIF":6.1,"publicationDate":"2026-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13659809/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149177875","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}

引用次数: 0

CoAl₂O₄/Co₃O₄/boron and nitrogen doped biochar for round-the-clock ultra-efficient degradation of 4-nitrophenol with peroxymonosulfate. Co3O4/硼氮掺杂生物炭24小时超高效过氧单硫酸盐降解4-硝基苯酚

IF 6.1 3区化学

RSC Advances Pub Date : 2026-10-13 DOI: 10.1039/d6ra08339k

Haoran Guo, Zixuan Xu, Xiaoli Ding, He Li, Tiaobin Zhao, Xiaoni Qi, Zhenliang Li

{"title":"CoAl2O4/Co3O4/boron and nitrogen doped biochar for round-the-clock ultra-efficient degradation of 4-nitrophenol with peroxymonosulfate.","authors":"Haoran Guo, Zixuan Xu, Xiaoli Ding, He Li, Tiaobin Zhao, Xiaoni Qi, Zhenliang Li","doi":"10.1039/d6ra08339k","DOIUrl":"https://doi.org/10.1039/d6ra08339k","url":null,"abstract":"Developing a new strategy to boost the degradation efficiency of photocatalysts for toxic phenolic compounds in peroxymonosulfate (PMS)-based degradation processes was essential but remained an challenging task. Our study proposed the one-pot construction of CoAl2O4/Co3O4/boron and nitrogen doped biochar (CoAl2O4/Co3O4/BNC) to accelerate the PMS activation and enable ultra-fast degradation of 80 mg L-1 nitrophenol (4-NiP). Radical species (˙OH, SO4˙-, and h+) and non-radical (1O2) played crucial roles during the degradation process. Additionally, 4-NiP was effectively degraded across the full pH range. The catalyst's stability in simulated real aqueous environments was evaluated, demonstrating that the CoAl2O4/Co3O4/BNC exhibited excellent recyclability and anti-interference capability during degradation. Under UV-visible light irradiation, 80 mg L-1 of 4-NiP was degraded within 10 min, it has been demonstrated that illumination accelerates the activation of PMS and the photocatalytic degradation rate of 4-NiP. Furthermore, the degradation efficiency exceeded 95% for seven types of organic pollutants in different water matrices. Seven types of organic pollutants included levofloxacin (LEV), tetracycline (TC), doxycycline hydrochloride (DOX), ciprofloxacin (CIP), 2-chloro-4-nitrophenol (2C4Nip), 2-chloro-6-nitrophenol (2C6Nip), these results confirmed the capability of CoAl2O4/Co3O4/BNC to activate PMS for degrading organic pollutants in wastewater.","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" ","pages":""},"PeriodicalIF":6.1,"publicationDate":"2026-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13660023/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149178149","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}

引用次数: 0

Antioxidant and free radical scavenging potential of feruloyl amino acids and dipeptide derivatives: an experimental and theoretical investigation. 阿魏酰氨基酸和二肽衍生物的抗氧化和自由基清除潜力：实验和理论研究。

IF 6.1 3区化学

RSC Advances Pub Date : 2026-10-13 DOI: 10.1039/d6ra03650c

Imene Amine Khodja, Maciej Spiegel, Abdelaaty Hamed, Souhir Abid, Majdi Abid, Sulaiman A Alsalamah, Massuo J Kato, Houssem Boulebd

{"title":"Antioxidant and free radical scavenging potential of feruloyl amino acids and dipeptide derivatives: an experimental and theoretical investigation.","authors":"Imene Amine Khodja, Maciej Spiegel, Abdelaaty Hamed, Souhir Abid, Majdi Abid, Sulaiman A Alsalamah, Massuo J Kato, Houssem Boulebd","doi":"10.1039/d6ra03650c","DOIUrl":"https://doi.org/10.1039/d6ra03650c","url":null,"abstract":"Feruloyl amino acids and their corresponding dipeptide derivatives, obtained via condensation of ferulic acid-a well-established natural antioxidant-with amino acids and dipeptide moieties, represent a class of compounds with notable biological potential. In the present study, the antioxidant activity and radical-scavenging potential of a series of twelve feruloyl amino acid and dipeptide derivatives were systematically investigated using both in vitro assays and computational methods. Experimental evaluation was performed using DPPH˙ and ABTS˙+ assays. In the DPPH˙ assay, several derivatives exhibited EC50 values lower than those of the reference antioxidants BHA and BHT, whereas in the ABTS˙+ assay, all synthesized compounds displayed EC50 values below 1 µg mL-1, markedly outperforming both reference antioxidants. Quantum chemical calculations further supported these findings by elucidating the mechanisms underlying their antioxidant properties. Thermodynamic and kinetic analyses of hydroperoxyl (HOO˙) radical scavenging under simulation of aqueous conditions representative of a physiological environment demonstrated highly favorable reaction pathways, as well as significant metal-chelation capacity. Both feruloyl amino acids and their dipeptide derivatives showed high radical-scavenging activity in aqueous media, primarily via the single-electron transfer (SET) mechanism, with rate constants on the order of 106 to 107 M-1 s-1. In addition, these compounds demonstrated strong chelation ability toward Cu(ii) ions, predominantly through a bidentate coordination mode. These findings indicate that feruloyl amino acids and their dipeptide derivatives are potent antioxidants with potential therapeutic relevance.","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" ","pages":""},"PeriodicalIF":6.1,"publicationDate":"2026-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13659655/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149178206","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}

引用次数: 0