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Mechanically robust zwitterionic hydrogel coating reinforced by microgels for antibacterial and anticoagulant applications 机械坚固两性离子水凝胶涂层增强微凝胶抗菌和抗凝应用
IF 5.6 2区 医学 Q1 BIOPHYSICS Pub Date : 2026-01-06 DOI: 10.1016/j.colsurfb.2026.115422
Haiyang Chai , Kai Cheng , Jiru Miao , Longxing Niu , Xiao Cen , Ying Xiao , Feiyu Chen , Rong Wang
Nosocomial infections and thrombosis associated with implantable medical devices have emerged as increasingly critical clinical challenges. Antifouling hydrogels, owing to their biocompatibility and highly hydrophilic surfaces, have garnered significant attention as a promising strategy to mitigate these complications. However, conventional hydrogels often suffer from poor mechanical strength due to their high-water content and the absence of efficient energy dissipation mechanisms, leading to weak adhesion to underlying substrates and potential detachment under physiological conditions. In this study, vinyl-functionalized poly(N-isopropylacrylamide-co-acrylic acid) microgels were incorporated into polysulfobetaine hydrogel networks to overcome these limitations. The microgels enhanced the crosslinking density to improve the mechanical strength of the hydrogels, acted as sacrificial bonds for energy dissipation, and functioned as carriers for antibacterial agents. The polysulfobetaine hydrogel coating effectively reduced the friction coefficient and significantly improved antibacterial and anti-platelet adhesion performance. Moreover, antimicrobial-loaded microgels imparted the hydrogel coating with enhanced antibacterial functionality. The in vivo anticoagulant performance of the hydrogel-coated catheter was validated through implantation into the external jugular vein of rabbits, confirming its therapeutic potential. This multifunctional hydrogel coating strategy presents a promising avenue for the development of mechanically robust, antibacterial, and anticoagulant surface modifications for implantable biomedical devices.
与植入式医疗器械相关的医院感染和血栓形成已成为日益严峻的临床挑战。防污水凝胶,由于其生物相容性和高度亲水性的表面,已经获得了显著的关注,作为一个有希望的策略,以减轻这些并发症。然而,传统的水凝胶由于含水量高,缺乏有效的能量耗散机制,往往存在机械强度较差的问题,导致其在生理条件下与底物的粘附能力较弱,可能发生脱落。在本研究中,乙烯基功能化聚(n -异丙基丙烯酰胺-共丙烯酸)微凝胶被纳入聚磺基甜菜碱水凝胶网络,以克服这些局限性。微凝胶增强交联密度,提高水凝胶的机械强度,作为牺牲键耗散能量,并作为抗菌剂的载体。聚磺胺甜菜碱水凝胶涂层有效降低了摩擦系数,显著提高了抗菌和抗血小板粘附性能。此外,负载抗菌剂的微凝胶赋予水凝胶涂层增强的抗菌功能。通过植入家兔颈外静脉,验证了水凝胶包覆导管的体内抗凝性能,证实了其治疗潜力。这种多功能水凝胶涂层策略为开发用于植入式生物医学设备的机械坚固、抗菌和抗凝表面改性提供了一条有前途的途径。
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引用次数: 0
Recent advances in hydrogel therapy for traumatic brain injury 水凝胶治疗外伤性脑损伤的最新进展。
IF 5.6 2区 医学 Q1 BIOPHYSICS Pub Date : 2026-01-06 DOI: 10.1016/j.colsurfb.2026.115424
Zheng Zou , Mengjia Chen , Jun Liu , Huan Ma , Guobiao Liang , Jingyuan Li
Traumatic brain injury (TBI) remains one of the most devastating neurological disorders, characterized by complex primary mechanical damage and secondary cascades involving inflammation, oxidative stress, and glial scar formation. Conventional therapies offer limited efficacy due to the blood–brain barrier, the inability to reconstruct tissue defects, and poor spatiotemporal drug control. Hydrogels have emerged as a versatile platform for brain repair owing to their high-water content, biocompatibility, tunable mechanics, and injectability. By tailoring their composition and crosslinking mechanisms, hydrogels can mimic the native brain extracellular matrix, fill irregular cavities, and provide mechanical support that matches neural tissue softness. More importantly, functional hydrogels serve as local delivery vehicles for neuroprotective drugs and growth factors, scaffolds for stem cell transplantation, and active regulators of the post-injury microenvironment. Recent advances include bioactive, conductive, and stimuli-responsive hydrogels capable of modulating immune polarization, enhancing angiogenesis, and promoting neurogenesis. Despite encouraging preclinical results, challenges remain in achieving long-term biocompatibility, precise degradation control, and scalable clinical translation. This review summarizes the current progress, underlying mechanisms, and emerging design strategies of hydrogel-based therapies for TBI, highlighting their potential as next-generation biomaterials for neuroregeneration and functional recovery.
创伤性脑损伤(TBI)是最具破坏性的神经系统疾病之一,其特点是复杂的原发性机械损伤和继发性级联反应,包括炎症、氧化应激和神经胶质瘢痕形成。由于血脑屏障,无法重建组织缺陷,以及药物时空控制差,传统疗法的疗效有限。水凝胶由于其高含水量、生物相容性、可调力学和可注射性而成为脑修复的通用平台。通过调整它们的组成和交联机制,水凝胶可以模拟天然的大脑细胞外基质,填充不规则的空洞,并提供与神经组织柔软度相匹配的机械支持。更重要的是,功能水凝胶可以作为神经保护药物和生长因子的局部递送载体,干细胞移植的支架,以及损伤后微环境的主动调节剂。最近的进展包括生物活性、导电性和刺激反应性水凝胶,能够调节免疫极化、增强血管生成和促进神经发生。尽管临床前结果令人鼓舞,但在实现长期生物相容性、精确降解控制和可扩展的临床转化方面仍然存在挑战。本文综述了目前基于水凝胶治疗TBI的进展、潜在机制和新兴设计策略,强调了它们作为下一代神经再生和功能恢复生物材料的潜力。
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引用次数: 0
Organic nano-quantum dots of salvianolic acid B modified with photosensitive cypate for diagnosis and treatment of myocardial 光敏cypate修饰丹参酚酸B有机纳米量子点诊断和治疗心肌
IF 5.6 2区 医学 Q1 BIOPHYSICS Pub Date : 2026-01-05 DOI: 10.1016/j.colsurfb.2026.115414
Na Wang , Ye Zhang , Wen Huang , Wei Du , Chunhua Ma , YuQiang Fang , Chunyu Zeng
Salvianolic acid B (SaB) demonstrates significant cardioprotective effects against myocardial ischemia–reperfusion injury (I/R). However, its clinical application is limited by rapid metabolism and poor bioavailability. To address this, we synthesized SaB-loaded organic quantum dots (SaB@qd) via a hydrothermal method and functionalized them with the near-infrared (NIR) dye cypate (SaB@qd@Cy). Proteomic analysis of cardiac tissues from I/R model rats identified SIRT2 as a key downregulated protein. Molecular docking and cell membrane chromatography confirmed SaB as a natural SIRT2 agonist, binding specifically to the SER-263 residue. SaB@qd@Cy enhanced myocardial SaB accumulation by 3.2-fold compared to free SaB (P < 0.01). In vivo, SaB@qd@Cy reduced the infarct area by 41 % (compared to 28 % reduction by mitochondrial-targeted CoQ10 nanoparticles) and attenuated inflammatory cytokine expression (IL-1β, TNF-α) via the SIRT2/NLRP3 pathway. Additionally, cypate enabled real-time NIR imaging of ischemic borders, with a temperature increase of 15.3 ± 1.2°C under 808 nm laser irradiation. This study presents a novel theranostic nanoplatform that integrates natural compounds with photoresponsive quantum dots for targeted therapy and intraoperative imaging in I/R management.
丹酚酸B (SaB)对心肌缺血再灌注损伤(I/R)具有显著的心脏保护作用。但其代谢快、生物利用度差,限制了其临床应用。为了解决这个问题,我们通过水热法合成了负载ab的有机量子点(SaB@qd),并用近红外(NIR)染料cypate (SaB@qd@Cy)对其进行了功能化。I/R模型大鼠心脏组织的蛋白质组学分析发现SIRT2是一个关键的下调蛋白。分子对接和细胞膜色谱证实SaB是一种天然的SIRT2激动剂,特异性结合SER-263残基。SaB@qd@Cy使心肌SaB积累增加3.2倍(P <; 0.01)。在体内,SaB@qd@Cy通过SIRT2/NLRP3途径减少了41 %的梗死面积(相比之下,线粒体靶向CoQ10纳米颗粒减少了28 %),并减弱了炎症细胞因子(IL-1β, TNF-α)的表达。此外,在808 nm激光照射下,cypate使缺血边界的实时近红外成像温度升高15.3 ± 1.2°C。本研究提出了一种新的治疗纳米平台,该平台将天然化合物与光响应量子点结合起来,用于I/R管理中的靶向治疗和术中成像。
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引用次数: 0
Rationally designed BTO@MSN@PPy-PEG piezoelectric nanozyme for ultrasound/NIR-triggered synergistic piezodynamic-photothermal-chemo tumor therapy 合理设计BTO@MSN@ py - peg压电纳米酶用于超声/ nir触发的压电-光热-化疗协同肿瘤治疗
IF 5.6 2区 医学 Q1 BIOPHYSICS Pub Date : 2026-01-03 DOI: 10.1016/j.colsurfb.2025.115409
Yunxia Hu , Yangbei Zhu , Lijie Liu , Jiaxuan Guo , Wenjie Gao , Lei Tian , Shige Wang , Chengzheng Jia
Conventional monotherapies for tumors face significant challenges due to their limited therapeutic efficacy and considerable side effects, which severely impede their broad clinical application. To overcome the advancement of multimodal synergistic treatment strategies, integrating diverse treatment modalities with complementary mechanisms has emerged as a crucial approach to enhance the therapeutic outcomes of tumors. In this context, we developed a multifunctional nanoplatform, designated as BaTiO3@MSN@PPy-PEG Nanoparticles (BMPP NPs), which can be activated by a combination of ultrasound and near-infrared (NIR) laser irradiation. This nanoplatform is centered around the piezoelectric material barium titanate (BTO), employs a mesoporous silica (MSN) coating for efficient encapsulation of the chemotherapeutic agent curcumin (Cur), and is further modified with polypyrrole (PPy) and polyethylene glycol (PEG) to confer both excellent photothermal conversion capability and enhanced biocompatibility. The synergistic interplay among the ultrasound-induced piezoelectric effect, NIR laser-triggered photothermal therapy, and MSN-mediated drug release results in a novel triple-modal therapy—piezoelectric dynamic, photothermal, and chemo. This integrated strategy effectively suppresses tumor growth and facilitates tumor ablation, holding great promise for future cancer therapeutics.
传统的肿瘤单药治疗由于其疗效有限且副作用大,严重阻碍了其广泛的临床应用。为了克服多模式协同治疗策略的进步,将多种治疗方式与互补机制相结合已成为提高肿瘤治疗效果的重要途径。在此背景下,我们开发了一种多功能纳米平台,命名为BaTiO3@MSN@ py - peg纳米颗粒(BMPP NPs),可以通过超声和近红外(NIR)激光照射组合激活。该纳米平台以压电材料钛酸钡(BTO)为中心,采用介孔二氧化硅(MSN)涂层有效封装化疗药物姜黄素(Cur),并进一步用聚吡咯(PPy)和聚乙二醇(PEG)修饰,以获得优异的光热转换能力和增强的生物相容性。超声诱导的压电效应、近红外激光触发的光热治疗和msn介导的药物释放之间的协同相互作用导致了一种新的三模态治疗——压电动力学、光热和化学。这种综合策略有效地抑制肿瘤生长,促进肿瘤消融,对未来的癌症治疗有很大的希望。
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引用次数: 0
Polydopamine-functionalized PCN-224-supported Pt-Pd bimetallic nanozyme with intrinsic oxidase activity for hydrogen peroxide-free ultrasensitive colorimetric sensing of ascorbic acid 具有内在氧化酶活性的聚多巴胺功能化pcn -224负载的Pt-Pd双金属纳米酶用于抗坏血酸的无过氧化氢超灵敏比色检测。
IF 5.6 2区 医学 Q1 BIOPHYSICS Pub Date : 2026-01-02 DOI: 10.1016/j.colsurfb.2026.115413
Huan Luo , Shoubei Gao , Chenran Zhen , Haiyan Xiao , Yanshuai Cui , Longgang Wang
Ascorbic acid (AA), an essential water-soluble antioxidant in humans, plays a critical role in disease prevention and health maintenance, necessitating accurate detection methods. However, conventional H2O2-dependent colorimetric methods face inherent limitations, creating a demand for alternative detection strategies that operate independently of H2O2. To address this problem, a composite nanozyme (PCN-224-PDA-PdPt3) was constructed by employing a zirconium-based porphyrin metal-organic framework (PCN-224) as a substrate, followed by sequential polydopamine (PDA) surface functionalization and PdPt3 bimetallic nanoparticle deposition. The synthetic nanozyme exhibited exceptional oxidase-mimicking activity at pH 4.0 and 40 °C. Mechanism studies confirmed that its activity originates from the catalytic generation of reactive oxygen species (O2•⁻ and 1O2) from dissolved oxygen. Leveraging this, an H2O2-independent colorimetric AA detection method was developed, which demonstrated a wide linear range (1–900 μM), a low detection limit (0.56 μM), and high selectivity against interfering species like amino acids and metal ions. The clinical applicability was further verified through satisfactory recoveries (96.84–104.46 %) and low RSD (< 5 %) in spiked human serum samples. Moreover, the nanozyme showed excellent biocompatibility with a hemolysis rate below 5 %. This work not only provides a robust and safe platform for biomedical detection but also paves the way for the rational design of multifunctional nanozymes for developing H₂O₂-independent sensing systems.
抗坏血酸(AA)是人体必需的水溶性抗氧化剂,在疾病预防和健康维护中起着至关重要的作用,需要准确的检测方法。然而,传统的依赖H2O2的比色方法面临固有的局限性,因此需要独立于H2O2的替代检测策略。为了解决这一问题,我们以锆基卟啉金属-有机骨架(PCN-224)为底物,依次进行聚多巴胺(PDA)表面功能化和PdPt3双金属纳米颗粒沉积,构建了复合纳米酶(PCN-224-PDA-PdPt3)。合成的纳米酶在pH 4.0和40 °C下表现出优异的氧化酶模拟活性。机理研究证实其活性来源于溶解氧催化生成活性氧(O2•⁻和1O2)。该方法线性范围宽(1 ~ 900 μM),检出限低(0.56 μM),对氨基酸和金属离子等干扰物具有较高的选择性。加标后的人血清样品加标回收率为96.84 ~ 104.46 %,RSD < 5 %,进一步验证了该方法的临床适用性。此外,纳米酶具有良好的生物相容性,溶血率低于5% %。这项工作不仅为生物医学检测提供了一个强大而安全的平台,而且为开发不依赖H₂O₂的传感系统的多功能纳米酶的合理设计铺平了道路。
{"title":"Polydopamine-functionalized PCN-224-supported Pt-Pd bimetallic nanozyme with intrinsic oxidase activity for hydrogen peroxide-free ultrasensitive colorimetric sensing of ascorbic acid","authors":"Huan Luo ,&nbsp;Shoubei Gao ,&nbsp;Chenran Zhen ,&nbsp;Haiyan Xiao ,&nbsp;Yanshuai Cui ,&nbsp;Longgang Wang","doi":"10.1016/j.colsurfb.2026.115413","DOIUrl":"10.1016/j.colsurfb.2026.115413","url":null,"abstract":"<div><div>Ascorbic acid (AA), an essential water-soluble antioxidant in humans, plays a critical role in disease prevention and health maintenance, necessitating accurate detection methods. However, conventional H<sub>2</sub>O<sub>2</sub>-dependent colorimetric methods face inherent limitations, creating a demand for alternative detection strategies that operate independently of H<sub>2</sub>O<sub>2</sub>. To address this problem, a composite nanozyme (PCN-224-PDA-PdPt<sub>3</sub>) was constructed by employing a zirconium-based porphyrin metal-organic framework (PCN-224) as a substrate, followed by sequential polydopamine (PDA) surface functionalization and PdPt<sub>3</sub> bimetallic nanoparticle deposition. The synthetic nanozyme exhibited exceptional oxidase-mimicking activity at pH 4.0 and 40 °C. Mechanism studies confirmed that its activity originates from the catalytic generation of reactive oxygen species (O<sub>2</sub>•⁻ and <sup>1</sup>O<sub>2</sub>) from dissolved oxygen. Leveraging this, an H<sub>2</sub>O<sub>2</sub>-independent colorimetric AA detection method was developed, which demonstrated a wide linear range (1–900 μM), a low detection limit (0.56 μM), and high selectivity against interfering species like amino acids and metal ions. The clinical applicability was further verified through satisfactory recoveries (96.84–104.46 %) and low RSD (&lt; 5 %) in spiked human serum samples. Moreover, the nanozyme showed excellent biocompatibility with a hemolysis rate below 5 %. This work not only provides a robust and safe platform for biomedical detection but also paves the way for the rational design of multifunctional nanozymes for developing H₂O₂-independent sensing systems.</div></div>","PeriodicalId":279,"journal":{"name":"Colloids and Surfaces B: Biointerfaces","volume":"260 ","pages":"Article 115413"},"PeriodicalIF":5.6,"publicationDate":"2026-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145931740","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Combination of transfection incompetent lipids having strikingly different aliphatic chain lengths in a liposome demonstrates superior transfection and produces high titre lentivirus 在脂质体中具有显著不同脂肪链长度的转染不合格脂质的组合表明转染优越,并产生高滴度的慢病毒。
IF 5.6 2区 医学 Q1 BIOPHYSICS Pub Date : 2026-01-02 DOI: 10.1016/j.colsurfb.2025.115402
Yasodha Ramasamy , Ramya Arumugam , Sevanthy Suresh , Gokulnath Mahalingam , Rajesh Kumar Subhaschandra bose , Mohanraj Ramasamy , Ilavarasan Raju , Srujan Marepally
The favourable outcome of gene therapy depends on the developing efficient and safe gene delivery systems. Recently, nonviral vectors have gained considerable attention due to their improved safety profiles and their potential application in viral vector manufacturing. In this study, we report the design, synthesis, and evaluation of novel short-chain (C6) ionizable lipids with varying hydrophobic amino acid headgroups phenylalanine (C6F-IL), tryptophan (C6W-IL), and glycine (C6G-IL) along with a cationic lipid containing twin C12 alkyl chains (C12-CL). Liposomes composed solely of either C6 ionizable amino lipids (C6-IL) or C12-CL were unable to efficiently deliver plasmid DNA. However, an optimized combination of C12-CL and C6 ionizable lipids, particularly C6W-IL (Lipo-3), demonstrated superior transfection efficiency across HEK-293T, SKHEP, and HEPA cell lines, comparable to that of Lipofectamine 3000. Furthermore, when Lipo-3 was applied in lentivirus production, it yielded viral titres equivalent to those obtained using commercial Lipofectamine 3000. These findings demonstrate that a combination of two individually transfection-incompetent lipids can be engineered into a highly efficient liposomal system for gene delivery. This approach provides new opportunities for harnessing existing transfection-incompetent lipids in gene therapy applications.
基因治疗的良好效果取决于开发高效、安全的基因传递系统。近年来,非病毒载体因其安全性的提高和在病毒载体制造中的潜在应用而受到广泛关注。在这项研究中,我们报道了新型短链(C6)可电离脂质的设计、合成和评价,这些脂质具有不同的疏水氨基酸头基苯丙氨酸(C6F-IL)、色氨酸(C6W-IL)和甘氨酸(C6G-IL),以及含有双C12烷基链(C12- cl)的阳离子脂质。仅由C6离子化氨基脂(C6- il)或C12-CL组成的脂质体不能有效地传递质粒DNA。然而,经过优化的C12-CL和C6可电离脂质组合,特别是C6W-IL (lipo3),在HEK-293T、SKHEP和HEPA细胞系中显示出与Lipofectamine 3000相当的卓越转染效率。此外,当将lipo3应用于慢病毒生产时,其产生的病毒滴度与使用商用Lipofectamine 3000获得的病毒滴度相当。这些发现表明,两种单独转染无能的脂质的组合可以被设计成一个高效的脂质体系统,用于基因传递。这种方法为利用现有的转染无能脂质进行基因治疗提供了新的机会。
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引用次数: 0
Evaluation of functionalized gold nanoparticles stability in a microfluidic device to mimic a biological environment 功能化金纳米颗粒在模拟生物环境的微流控装置中的稳定性评价。
IF 5.6 2区 医学 Q1 BIOPHYSICS Pub Date : 2026-01-02 DOI: 10.1016/j.colsurfb.2025.115404
Sabina Arias , Natalia Arancibia , Ramón Rial , Juan Ruso , Marcelo J. Kogan , Natalia Hassan
The functionalization of gold nanoparticles (NPs) with polyethylene glycol (PEG) and folic acid improves their stability, biocompatibility, and targeting capacity, essential for biomedical applications. However, conventional characterization methods often overlook the influence of dynamic biological environments. In this study, we investigated the stability of spherical and rod-shaped gold nanoparticles (GNSs and GNRs) under both static and dynamic conditions, utilizing a microfluidic device designed to emulate a biological environment. Nanoparticles were characterized in terms of hydrodynamic size, zeta potential, and surface plasmon resonance in three distinct media: Milli-Q water, phosphate-buffered saline (PBS), and RPMI 1640 cell culture medium supplemented with 10 % fetal bovine serum. Our findings reveal that protein-rich media enhance nanoparticle stability through the formation of a protein corona, whereas PBS promotes aggregation, particularly under static conditions. Notably, GNRs exhibited higher protein adsorption and superior colloidal stability under flow conditions compared to GNSs, a behavior attributed to their anisotropic geometry and increased surface interaction dynamics. This study underscores the relevance of testing nanoparticle behavior under physiologically relevant flow conditions, providing valuable information to optimize nanoparticle design for nanomedicine.
聚乙二醇(PEG)和叶酸功能化金纳米颗粒(NPs)提高了它们的稳定性、生物相容性和靶向能力,这对生物医学应用至关重要。然而,传统的表征方法往往忽略了动态生物环境的影响。在这项研究中,我们利用一个模拟生物环境的微流控装置,研究了球形和棒状金纳米颗粒(GNSs和GNRs)在静态和动态条件下的稳定性。纳米颗粒在三种不同的介质中进行了水动力学大小、ζ电位和表面等离子体共振的表征:milliq水、磷酸盐缓冲盐水(PBS)和添加10% %胎牛血清的RPMI 1640细胞培养基。我们的研究结果表明,富含蛋白质的介质通过形成蛋白质冠来增强纳米颗粒的稳定性,而PBS则促进聚集,特别是在静态条件下。值得注意的是,与GNSs相比,GNRs在流动条件下表现出更高的蛋白质吸附性和优越的胶体稳定性,这一行为归因于它们的各向异性几何结构和更高的表面相互作用动力学。本研究强调了在生理相关流动条件下测试纳米颗粒行为的相关性,为优化纳米药物的纳米颗粒设计提供了有价值的信息。
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引用次数: 0
Adhesion, proliferation, and osteogenic differentiation of human mesenchymal stem cells on additively manufactured Ti6Al4V alloy scaffolds modified with calcium phosphate nanoparticles, Colloids Surf. B: Biointerfaces 176(April) (2019) 130-139. 10.1016/j.colsurfb.2018.12.047. 人间充质干细胞在磷酸钙纳米颗粒修饰的Ti6Al4V合金支架上的粘附、增殖和成骨分化。B: Biointerfaces 176(April)(2019) 130-139。10.1016 / j.colsurfb.2018.12.047。
IF 5.6 2区 医学 Q1 BIOPHYSICS Pub Date : 2026-01-01 Epub Date: 2025-08-05 DOI: 10.1016/j.colsurfb.2025.114996
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引用次数: 0
How water models influence the interfacial organization of oxysterol epimers: A comparative simulation study using TIP3P and OPC 水模型如何影响氧甾醇外聚物的界面组织:使用TIP3P和OPC的比较模拟研究
IF 5.6 2区 医学 Q1 BIOPHYSICS Pub Date : 2025-12-31 DOI: 10.1016/j.colsurfb.2025.115407
Jan Kobierski , Sławomir Stachura , Anita Wnętrzak , Anna Chachaj-Brekiesz , Michał Świątek , Wojciech Jawień , Patrycja Dynarowicz-Latka
Water is a critical determinant of interfacial behavior, therefore the choice of water model in molecular dynamics (MD) simulations can profoundly influence the accuracy of predicted monolayer properties. In this work, we compare the impact of two water models—three-point TIP3P and four-point OPC—on the interfacial organization, hydration, and hydrogen bonding of epimeric 22-hydroxycholesterols [22(R)-OH and 22(S)-OH] in model membranes. All-atom MD simulations, complemented by Langmuir monolayer experiments, demonstrate that the water model selection strongly affects monolayer behavior: the OPC model produces sharper density gradients and reduced water penetration at the interface, whereas TIP3P permits deeper water ingress and yields a more diffuse interfacial region. As a result, stereochemical differences are more pronounced with the OPC model, particularly for the hydration-prone 22(R)-OH. Specifically, 22(S)-OH forms more condensed monolayers with the side-chain hydroxyl group buried within the interface, whereas 22(R)-OH generates more expanded monolayers characterized by enhanced hydration in close agreement with experimental observations. These stereochemistry-dependent effects arise from distinct hydrogen-bonding patterns: 22(S)-OH preferentially engages in sterol–sterol hydrogen bonds, while 22(R)-OH remains more hydrated through hydrogen bonding with water molecules. Collectively, these findings underscore the importance of accurate water model selection for reliable representation of biointerface properties and highlight that even subtle stereochemical modifications can exert disproportionate effects on interfacial organization and hydration.
水是界面行为的关键决定因素,因此分子动力学(MD)模拟中水模型的选择可以深刻影响预测单层性质的准确性。在这项工作中,我们比较了两种水模型——三点TIP3P和四点opc对模型膜中22-羟基胆固醇[22(R)-OH和22(S)-OH]的界面组织、水合作用和氢键的影响。全原子MD模拟和Langmuir单层实验表明,水模型的选择强烈影响单层行为:OPC模型产生更大的密度梯度,减少了界面处的水渗透,而TIP3P模型允许更深的水进入,并产生更分散的界面区域。因此,OPC模型的立体化学差异更为明显,特别是易于水化的22(R)-OH。具体来说,22(S)-OH形成更浓缩的单分子层,侧链羟基埋在界面内,而22(R)-OH产生更多膨胀的单分子层,其特征是水化作用增强,与实验观察结果密切一致。这些立体化学依赖效应来自于不同的氢键模式:22(S)-OH优先参与固醇-固醇氢键,而22(R)-OH通过与水分子的氢键保持更多的水合。总的来说,这些发现强调了准确的水模型选择对于可靠地表示生物界面特性的重要性,并强调了即使是微小的立体化学修饰也会对界面组织和水合作用产生不成比例的影响。
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引用次数: 0
Beta vulgaris-derived exosome-like nanovesicles mitigate photoaging by attenuating oxidative stress and promoting collagen biosynthesis 寻常β衍生的外泌体样纳米囊泡通过减弱氧化应激和促进胶原蛋白的生物合成来减轻光老化。
IF 5.6 2区 医学 Q1 BIOPHYSICS Pub Date : 2025-12-31 DOI: 10.1016/j.colsurfb.2025.115412
Jian Zhou , Mengen Guo , Yanjin Peng , Wenjie Xu , Xinyan Hao , Yucheng Tang , Tiantian Tang , Junyong Wu , Daxiong Xiang
Photodamage, primarily induced by ultraviolet (UV) radiation, is a major contributor to skin aging and a significant dermatological challenge. While conventional anti-aging strategies exist, their limited efficacy and potential side effects necessitate the exploration of safer and more effective alternatives. Here, we report on a novel anti-photoaging nanotherapy using exosome-like nanovesicles (BVNVs) derived from edible beet (Beta vulgaris). We demonstrate that BVNVs effectively mitigate UV-induced skin damage through a multi-faceted mechanism. In vitro experiments showed that BVNVs significantly promote the expression of key extracellular matrix (ECM) protein, collagen I (COL-1), while markedly inhibiting the expression of collagen-degrading enzyme, matrix metalloproteinase 1 (MMP1). Mechanistically, BVNVs treatment robustly attenuated UV-induced oxidative stress, as evidenced by a substantial reduction in reactive oxygen species (ROS) and malondialdehyde (MDA) levels, and an enhancement in antioxidant enzyme superoxide dismutase (SOD) activity. Furthermore, BVNVs reduced cellular senescence markers, including senescence-associated β-galactosidase (SA-β-Gal), in UV-irradiated skin cells. Consistent with our in vitro findings, in vivo studies on a photodamaged skin model revealed that topical application of BVNVs effectively restored skin structure and function. These findings highlight BVNVs as a promising, biocompatible, and sustainable nanoplatform for anti-photoaging therapy. Our study not only provides a scientific basis for developing new skin care solutions from natural sources but also presents a compelling case for harnessing plant-derived nanovesicles in addressing oxidative stress-related dermatological conditions.
光损伤主要由紫外线(UV)辐射引起,是皮肤老化的主要原因,也是皮肤病学的重大挑战。虽然传统的抗衰老策略存在,但其有限的功效和潜在的副作用需要探索更安全、更有效的替代方案。在这里,我们报道了一种新的抗光老化纳米疗法,使用来自食用甜菜(Beta vulgaris)的外泌体样纳米囊泡(BVNVs)。我们证明BVNVs通过多方面的机制有效地减轻紫外线引起的皮肤损伤。体外实验表明,BVNVs显著促进关键细胞外基质(ECM)蛋白I型胶原(COL-1)的表达,同时显著抑制胶原降解酶基质金属蛋白酶1 (MMP1)的表达。从机制上看,BVNVs处理可以显著减弱紫外线诱导的氧化应激,这可以通过活性氧(ROS)和丙二醛(MDA)水平的显著降低以及抗氧化酶超氧化物歧化酶(SOD)活性的增强来证明。此外,BVNVs降低了紫外线照射下皮肤细胞的细胞衰老标志物,包括衰老相关的β-半乳糖苷酶(SA-β-Gal)。与我们的体外研究结果一致,对光损伤皮肤模型的体内研究表明,局部应用BVNVs可以有效地恢复皮肤结构和功能。这些发现强调了BVNVs作为一种有前途的、生物相容性的、可持续的抗光老化纳米平台。我们的研究不仅为从天然来源开发新的护肤解决方案提供了科学依据,而且为利用植物来源的纳米囊泡解决与氧化应激相关的皮肤病提供了令人信服的案例。
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Colloids and Surfaces B: Biointerfaces
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