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Poly(o-phenylenediamine) as an Organic Filler for Enhancing the Mechanical and Antibacterial Performance of Chitosan Films. 聚邻苯二胺作为有机填料提高壳聚糖薄膜的机械性能和抗菌性能。
IF 4.7 Q2 MATERIALS SCIENCE, BIOMATERIALS Pub Date : 2026-02-04 DOI: 10.1021/acsabm.5c02312
Mary Taylor, Jayla Jenkins, Mohammad Mohiuddin, Ufana Riaz

Understanding structure-property relationships is essential for designing multifunctional biopolymer composites that integrate mechanical robustness, barrier performance, and antimicrobial activity in sustainable materials. Chitosan (CS) exhibits excessive hydrophilicity, limited mechanical strength, and poor moisture stability, which restrict its long-term performance in packaging applications. With the aim to enhance the mechanical strength, moisture absorption, and overall performance of CS, an organic aromatic polymer, poly(o-phenylenediamine) (PoPD), was introduced into the matrix through in situ oxidative polymerization. Incorporation of PoPD improved the properties of CS by introducing aromaticity and electron delocalization, thereby limiting water uptake and molecular diffusion without relying on petroleum-derived additives. Remarkably, a low filler concentration (0.15 wt % of PoPD) produced drastic enhancement, in a tensile strength of 27.98 ± 1.40 MPa (as compared to 9.28 ± 0.46 MPa in neat CS) and an elongation at break value of 5.44 ± 0.27%. Moisture absorption studies confirmed a marked reduction at low filler levels, whereas higher PoPD contents generated compact morphologies that further restricted diffusion. Antibacterial evaluations revealed pronounced inhibition of Bacillus subtilis across all filler concentrations. Molecular docking analyses attributed this behavior to π-π-stacking, hydrogen bonding, and electrostatic interactions between PoPD and bacterial residues. The properties can be tuned by adjusting the filler content, producing multifunctional composites suitable for smart, sustainable packaging applications.

了解结构-性能关系对于设计多功能生物聚合物复合材料至关重要,这些复合材料在可持续材料中集成了机械稳健性,屏障性能和抗菌活性。壳聚糖(CS)表现出过度的亲水性、有限的机械强度和较差的水分稳定性,这限制了其在包装应用中的长期性能。为了提高CS的机械强度、吸湿性和综合性能,通过原位氧化聚合将有机芳香族聚合物聚邻苯二胺(PoPD)引入基体。PoPD的加入通过引入芳香性和电子离域改善了CS的性能,从而限制了水的吸收和分子扩散,而不依赖于石油衍生添加剂。值得注意的是,低填充剂浓度(0.15 wt %的PoPD)产生了显著的增强,拉伸强度为27.98±1.40 MPa(纯CS为9.28±0.46 MPa),断裂伸长率为5.44±0.27%。吸湿性研究证实,填料含量较低时,颗粒明显减少,而较高的PoPD含量会产生致密的形态,进一步限制扩散。抗菌评价显示,在所有填料浓度下,枯草芽孢杆菌都有明显的抑制作用。分子对接分析将这种行为归因于PoPD与细菌残基之间的π-π堆积、氢键和静电相互作用。性能可以通过调整填料含量来调整,生产适合智能,可持续包装应用的多功能复合材料。
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引用次数: 0
Thermoresponsive Reconfigurable Intelligent Electromagnetic Surfaces Enabled by VO2 and Wood-Derived Nanocellulose, Suberin, and Biocarbon. 由VO2和木材衍生纳米纤维素、木质素和生物碳实现的热响应可重构智能电磁表面。
IF 4.7 Q2 MATERIALS SCIENCE, BIOMATERIALS Pub Date : 2026-02-04 DOI: 10.1021/acsabm.5c02239
Riikka Haataja, Sami Myllymäki, Tareq Rahman, Tung D Phan, Jessica Onaka, Mandeep Singh, Ossi Laitinen, Jussi Putaala, Ping Jack Soh, Yukitoshi Otani, Kristiina Oksman, Heli Jantunen, Henrikki Liimatainen

Reconfigurable intelligent surfaces (RISs) are key enabling technologies for next-generation wireless telecommunication systems, offering dynamic control over electromagnetic (EM) wave propagation. However, most existing RIS demonstrations rely on conventional electronic or metallic platforms, raising concerns about resource availability, recyclability, and environmental sustainability. In this study, hybrid nanostructured RIS prototypes (Prototypes I-III) were designed and fabricated using sustainable, wood-derived materials, namely, cellulose nanofibers (CNFs), suberin, and biocarbon, in combination with thermoresponsive vanadium dioxide (VO2) nanoparticles. The EM performance of these RIS architectures was first optimized through full-wave simulations and then validated experimentally by the cast-layer deposition of VO2/CNF-suberin functional layers onto printed circuit board (PCB) substrates. Among the tested designs, Prototype I, comprising a functional layer of 95 wt % VO2, 2.5 wt % nonderivatized CNF, and 2.5 wt % suberin, exhibited the most pronounced thermal response, showing resonance frequency shifts of up to 19 MHz at a 5 GHz center frequency and phase shifts of 83° with temperature variation. Prototype II, containing cationic CNFs, demonstrated improved mechanical stability but reduced electrical continuity due to microstructural cracking, whereas Prototype III, modified with biocarbon, displayed diminished conductivity arising from its lower VO2 content. Degree of linear polarization (DOLP) analysis revealed early stage phase transitions that occurred prior to complete conductive pathway formation. Overall, the hybrid RIS architectures developed from VO2 and wood-derived materials through a sustainable processing route exhibited highly tunable, temperature-triggered EM modulation, with sensitivity ranging from low to high, depending on the material composition and assembly configuration.

可重构智能表面(RISs)是下一代无线通信系统的关键使能技术,提供对电磁波传播的动态控制。然而,大多数现有的RIS演示依赖于传统的电子或金属平台,这引起了对资源可用性、可回收性和环境可持续性的担忧。在这项研究中,混合纳米结构RIS原型(原型I-III)被设计和制造,使用可持续的木材衍生材料,即纤维素纳米纤维(CNFs),木质素和生物碳,结合热响应的二氧化钒(VO2)纳米颗粒。这些RIS架构的EM性能首先通过全波模拟进行优化,然后通过在印刷电路板(PCB)衬底上浇铸层沉积VO2/CNF-suberin功能层进行实验验证。在测试的设计中,原型I,包括95 wt %的VO2, 2.5 wt %的非衍生CNF和2.5 wt %的木质素的功能层,表现出最明显的热响应,在5 GHz中心频率下共振频率漂移高达19 MHz,随着温度变化相移83°。含有阳离子CNFs的原型II表现出更好的机械稳定性,但由于微结构开裂而降低了电连续性,而用生物碳修饰的原型III由于其较低的VO2含量而表现出导电性降低。线性极化度(DOLP)分析揭示了早期的相变发生在完整的导电通路形成之前。总体而言,通过可持续的加工路线,由VO2和木材衍生材料开发的混合RIS架构表现出高度可调的、温度触发的EM调制,其灵敏度范围从低到高,具体取决于材料成分和组装配置。
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引用次数: 0
Enhanced Dual Functionality of Pluronic F127-Blended Poly(ether sulfone) Hollow Fiber Membranes for Improved Separation and Cell Adhesion in Extracorporeal Bioartificial Kidney and Liver Applications. Pluronic f127 -混合聚醚砜中空纤维膜的双重功能增强,用于体外生物人工肾脏和肝脏的分离和细胞粘附。
IF 4.7 Q2 MATERIALS SCIENCE, BIOMATERIALS Pub Date : 2026-02-03 DOI: 10.1021/acsabm.5c01861
Nidhi Pandey, Vikash Kumar, Jayesh Bellare

Rising numbers of organ failures have intensified the demand for high-performance biomaterials to support the development of bioartificial organs and advanced bioreactors. Hollow fiber membranes (HFMs) are particularly well-suited for such applications, including bioartificial kidney, liver, and 3D cell culture systems, due to their unique architecture and functional versatility. In this study, we engineered HFMs by blending amphiphilic Pluronic F127 (PF127) with poly(ether sulfone) (PES), aiming to enhance both separation efficiency and cellular attachment and proliferation. Physicochemical characterization revealed that PF127 incorporation resulted in a concentric, porous membrane structure with significantly improved porosity as compared to that of plain PES HFMs. Biocompatibility was assessed using human embryonic kidney (HEK293) and hepatocellular carcinoma liver (HepG2) cell lines. Confocal microscopy, MTT cell viability assays, flow-cytometry-based live/dead assays, and calcein AM/propidium iodide staining demonstrated that PF127/PES HFMs strongly support the attachment and proliferation of viable cells. The attached cells exhibited high metabolic activity and formed three-dimensional spheroids, indicating the bioactive influence of PF127. Hemocompatibility evaluation by hemolysis and terminal complement complex (SC5b9) showed that the HFMs fabricated were hemocompatible, suggesting a diminished inflammatory response. Additionally, separation performance evaluation demonstrated a high ultrafiltration coefficient, highest for 2.5 PF127 (173.83 ± 7.31 mL m-2 h-1 mmHg-1) and efficient removal of a broad range of uremic toxins, including urea, creatinine, macroglobulin analogs, and protein-bound toxins such as indoxyl sulfate. Collectively, the enhanced cytocompatibility with kidney and liver cells, hemocompatibility, and separation capability of PF127/PES HFMs make them promising scaffolds for bioartificial kidney and liver applications.

越来越多的器官衰竭加剧了对高性能生物材料的需求,以支持生物人工器官和先进生物反应器的发展。中空纤维膜(HFMs)由于其独特的结构和功能的多功能性,特别适合于这样的应用,包括生物人工肾脏,肝脏和3D细胞培养系统。在这项研究中,我们通过将两亲性Pluronic F127 (PF127)与聚醚砜(PES)混合来构建HFMs,旨在提高分离效率和细胞附着和增殖。物理化学表征表明,PF127的掺入导致了一个同心的多孔膜结构,与普通PES HFMs相比,其孔隙率显著提高。采用人胚胎肾(HEK293)和肝癌肝(HepG2)细胞系进行生物相容性评价。共聚焦显微镜、MTT细胞活力测定、基于流式细胞术的活/死实验和钙黄蛋白AM/碘化丙啶染色表明,PF127/PES HFMs强烈支持活细胞的附着和增殖。附着细胞表现出较高的代谢活性,并形成三维球体,表明PF127的生物活性影响。溶血和末端补体复合物(SC5b9)的血液相容性评价表明,制备的HFMs具有血液相容性,表明炎症反应减弱。此外,分离性能评估表明,超滤系数高,最高的2.5 PF127(173.83±7.31 mL m-2 h-1 mmHg-1),并有效去除广泛的尿毒症毒素,包括尿素,肌酐,巨球蛋白类似物和蛋白质结合毒素,如硫酸吲哚酚。总的来说,PF127/PES HFMs与肾脏和肝脏细胞的细胞相容性、血液相容性和分离能力增强,使其成为生物人工肾脏和肝脏应用的有前景的支架。
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引用次数: 0
LNP-Mediated CF10 Delivery Selectively Enhances Potency to Colorectal Cancer Cells and Preserves the TS/Top1 Dual Targeting Mechanism. lnp介导的CF10递送选择性增强对结直肠癌细胞的效力并保留TS/Top1双靶向机制
IF 4.7 Q2 MATERIALS SCIENCE, BIOMATERIALS Pub Date : 2026-02-03 DOI: 10.1021/acsabm.5c01892
Santu Sarkar, Akanksha Behl, William H Gmeiner

Lipid nanoparticles (LNPs) are extensively utilized in nucleic acid delivery for therapeutic applications because of their biocompatibility and protection of the nucleic acid cargo from degradation during in vivo transport. The nanoscale DNA-based fluoropyrimidine polymer CF10 shows strong efficacy advantages relative to conventional fluoropyrimidine drugs such as 5-fluorouracil (5-FU). In principle, LNP-mediated delivery of CF10 could further enhance its efficacy advantage relative to 5-FU by increasing plasma stability and promoting cell uptake. However, the anticancer activity of CF10 relies on the release of active nucleotides, and it is not clear that LNP-mediated delivery of CF10 preserves dual targeting of thymidylate synthase (TS) and DNA topoisomerase 1 (Top1). This study proposes the incorporation of CF10 into LNPs using chaotic mixing of lipid compositions in a microfluidic chip. Biophysical characterization revealed homogeneous LNP formation with size 80-200 nm in diameter and a zeta-potential of -15 mV, dependent on CF10 concentration. LNPs were stable (tested in PBS) over 4 weeks. In vitro studies showed that LNP formulation increased CF10 uptake specifically into cancer cells, while an immortalized nonmalignant intestinal cell line did not show increased uptake of CF10:LNPs. CF10:LNPs initially colocalized with endosomes, followed by primarily lysosome colocalization at 48 h. CF10:LNPs displayed increased cytotoxicity to cancer cells relative to free CF10, proportional to increased cell uptake. Potent inhibition of TS was achieved consistently with nuclease-mediated release of FdUMP from CF10 in lysosomes. CF10:LNPs also efficiently induced Top1 cleavage complex formation, consistent with perturbation of cellular dNTP pools similar to free CF10. These findings indicate that CF10:LNPs display enhanced anticancer activity relative to free CF10 and preserve CF10's unique TS/Top1 dual targeting mechanism.

脂质纳米颗粒(LNPs)由于其生物相容性和保护核酸货物在体内运输过程中不被降解而广泛应用于核酸的治疗应用。与5-氟尿嘧啶(5-FU)等传统氟嘧啶类药物相比,纳米级dna基氟嘧啶聚合物CF10具有较强的疗效优势。原则上,lnp介导的CF10递送可通过提高血浆稳定性和促进细胞摄取,进一步增强其相对于5-FU的功效优势。然而,CF10的抗癌活性依赖于活性核苷酸的释放,目前尚不清楚lnp介导的CF10递送是否保留了胸腺苷酸合成酶(TS)和DNA拓扑异构酶1 (Top1)的双重靶向。本研究提出利用微流控芯片中脂质组成的混沌混合将CF10掺入LNPs中。生物物理表征表明,LNP形成均匀,直径为80-200 nm, ζ电位为-15 mV,与CF10浓度有关。LNPs在4周内稳定(在PBS中测试)。体外研究表明,LNP配方增加了CF10对癌细胞的特异性摄取,而永生化的非恶性肠细胞系未显示CF10:LNPs的摄取增加。CF10:LNPs最初与核内体共定位,随后在48小时主要与溶酶体共定位。相对于游离CF10, CF10:LNPs对癌细胞的细胞毒性增加,与细胞摄取增加成正比。通过核酸酶介导的溶酶体中CF10的FdUMP释放,可以实现对TS的有效抑制。CF10:LNPs还能有效地诱导Top1切割复合物的形成,这与细胞dNTP池的扰动相一致,类似于游离CF10。这些发现表明,CF10:LNPs相对于游离CF10表现出更强的抗癌活性,并保留了CF10独特的TS/Top1双重靶向机制。
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引用次数: 0
Cysteine-Intercalated ZnFe-LDH as an Enhanced Peroxidase Nanozyme via Valence Regulation for Efficient Antibacterial Therapy. 半胱氨酸嵌入ZnFe-LDH作为一种增强过氧化物酶纳米酶,通过价态调控进行有效的抗菌治疗。
IF 4.7 Q2 MATERIALS SCIENCE, BIOMATERIALS Pub Date : 2026-02-03 DOI: 10.1021/acsabm.5c02253
Yumin Zhang, Zixuan Xu, Min Li, Minqiang Jiang, Yuheng Wang, Lijie Li, Yixiang Huang, Gaohong He, Xuehua Ruan, Wenjun Zhang

Developing peroxidase-like nanomaterials of high activity, low cost, and eco-friendliness remains a key challenge for effective and efficient antibacterial applications. Herein, of the reducibility and molecular simplicity, cysteine (Cys) was introduced into a zinc-iron-layered double hydroxide (ZnFe-LDH) to build the valence-regulated nanozyme (Cys-ZnFe-LDH). Via the reduction and intercalation, Cys-ZnFe-LDH was facile and mildly acquired with valence regulation and interlayer space enlargement, promoting the mass transfer rate and redox cycle, so as to enhance the catalytic performance. Significantly, intercalated with cysteine, the Fe2+/Fe3+ ratio increased from 1.42 to 3.27 in Cys-ZnFe-LDH, and also the specific surface areas enlarged from 48.989 to 79.445 m2/g. Notably, Cys-ZnFe-LDH remarkably enhanced H2O2 decomposition into hydroxyl radicals, with the maximum reaction velocity of 25.80 × 10-8 M·s-1, as well as an extremely high affinity, favoring efficient •OH generation. However, leveraging such superior enzyme-mimicking activity, Cys-ZnFe-LDH possessed the potential broad-spectrum antibacterial performance, respectively, achieving 99% elimination of Escherichia coli (0.5 mM H2O2, 50 μg·mL-1) and Staphylococcus aureus (0.1 mM H2O2, 100 μg·mL-1), as well as a remarkable hemolysis rate and cell survival rate. Prospectively, Cys-ZnFe-LDH was a synergistic antibacterial "nanoknife" of the enhanced interfacial enrichment, Fe valence-state regulation, and •OH-driven oxidative damage.

开发高活性、低成本和生态友好的类过氧化物酶纳米材料仍然是有效和高效抗菌应用的关键挑战。本文利用半胱氨酸(Cys)的可还原性和分子简单性,将半胱氨酸(Cys)引入到锌铁层双氢氧化物(ZnFe-LDH)中,构建价调控纳米酶(Cys-ZnFe-LDH)。通过还原插层,Cys-ZnFe-LDH易于温和获得,价态调控,层间空间增大,促进传质速率和氧化还原循环,从而提高催化性能。插入半胱氨酸后,Cys-ZnFe-LDH的Fe2+/Fe3+比值从1.42增加到3.27,比表面积从48.989增加到79.445 m2/g。值得注意的是,Cys-ZnFe-LDH显著促进H2O2分解为羟基自由基,最大反应速度为25.80 × 10-8 M·s-1,具有极高的亲和力,有利于高效生成•OH。然而,利用这种优异的酶模拟活性,Cys-ZnFe-LDH具有潜在的广谱抗菌性能,分别对大肠杆菌(0.5 mM H2O2, 50 μg·mL-1)和金黄色葡萄球菌(0.1 mM H2O2, 100 μg·mL-1)的去除率达到99%,并具有显著的溶血率和细胞存活率。展望未来,Cys-ZnFe-LDH是增强界面富集、Fe价态调节和•oh驱动氧化损伤的协同抗菌“纳米刀”。
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引用次数: 0
Conjugated Polymer Nanoprobes for NIR-II Imaging-Guided Photodynamic/Photothermal Synergistic Cancer Therapy. NIR-II成像引导光动力/光热协同癌症治疗的共轭聚合物纳米探针。
IF 4.7 Q2 MATERIALS SCIENCE, BIOMATERIALS Pub Date : 2026-02-03 DOI: 10.1021/acsabm.5c02462
Jian Wang, Xinyi Zhang, Ling Li, Yuxin Ren, Junqing Wang, Xinyi Ma, Yanli Tang

Fluorescence imaging-based combined photodynamic (PDT) and photothermal (PTT) therapy strategies have presented as an attractive technique for cancer diagnosis and treatment, offering advantages such as noninvasiveness, real-time monitoring and high antitumor efficiency. However, conventional synergistic PDT/PTT platforms often rely on complex multicomponent nanosystems, which face challenges such as batch-to-batch variability, inefficient energy transfer, and the need for multiple excitation sources. To overcome these limitations and achieve a streamlined yet multifunctional system, we rationally designed and synthesized a donor-acceptor conjugated polymer CPBTT, and further developed conjugated polymer nanoparticles CPBTT-NPs. Upon irradiation with a single 808 nm laser, the CPBTT-NPs exhibited a remarkable multifunctional response: (1) strong NIR-II fluorescence for high-resolution imaging of deep tissues; (2) generating cytotoxic reactive oxygen species (via type-I PDT pathway); (3) generating substantial localized heat for PTT. In vitro and in vivo experiments demonstrate that CPBTT-NPs effectively achieve deep-tissue tumor visualization, precise tumor accumulation and potent tumor ablation with minimal systemic toxicity. This all-in-one phototherapeutic platform thus provides a simple, reproducible, and efficient strategy for advanced imaging-guided cancer theranostics.

基于荧光成像的光动力(PDT)和光热(PTT)联合治疗策略具有无创、实时监测和抗肿瘤效率高等优点,是一种有吸引力的癌症诊断和治疗技术。然而,传统的协同PDT/PTT平台通常依赖于复杂的多组分纳米系统,这面临着诸如批次之间的可变性、低效的能量传递以及需要多个激励源等挑战。为了克服这些限制,实现精简而多功能的系统,我们合理设计和合成了一种供受体共轭聚合物CPBTT,并进一步开发了共轭聚合物纳米粒子CPBTT- nps。在单一808 nm激光照射下,CPBTT-NPs表现出显著的多功能响应:(1)强烈的NIR-II荧光,用于深部组织的高分辨率成像;(2)产生细胞毒性活性氧(通过i型PDT途径);(3)为PTT产生大量局域热。体外和体内实验表明,CPBTT-NPs可以有效地实现深层肿瘤可视化、精确的肿瘤积累和有效的肿瘤消融,同时具有最小的全身毒性。因此,这种一体化的光疗平台为先进的成像引导癌症治疗提供了一种简单、可重复和有效的策略。
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引用次数: 0
In Vitro Antimycobacterial Activities of Short Peptide-Functionalized Silver Nanoparticle and Its In Silico Mechanistic Insight. 短肽功能化纳米银的体外抑菌活性及其硅机制研究。
IF 4.7 Q2 MATERIALS SCIENCE, BIOMATERIALS Pub Date : 2026-02-03 DOI: 10.1021/acsabm.5c02302
Uday Suryakanta, Sourav Mishra, Ajit Kumar Dhal, Bijayananda Panigrahi, Rohit Kumar Singh, Dindyal Mandal

The rise of drug-resistant microbes has made antimicrobial therapy increasingly challenging, and despite several reports on peptide-functionalized silver nanoparticles, their efficacy against Mycobacterium species remains largely unexplored. In this study, we synthesized short peptide functionalized silver nanoparticles to develop an effective antimycobacterial agent, where peptides acted as both reducing and stabilizing agents for the one-pot synthesis of silver nanoparticles (AgNPs). The developed nanoparticles were characterized by high-resolution transmission electron microscopy (HR-TEM), dynamic light scattering (DLS), Fourier transform infrared spectroscopy (FTIR), and UV-visible spectroscopy (UV-vis). The positively charged peptide-capped silver nanoparticles exhibited significant antimycobacterial activity against acid-fast mycobacterial strains, including Mycobacterium smegmatis, Mycobacterium bovis, and Mycobacterium marinum, compared to peptides alone, which could be due to the integrated effect of the peptide-functionalized AgNPs. Among the synthesized nanoparticles, linear peptide 2 (LP 2) functionalized AgNP exhibited the highest antimycobacterial efficacy against the Mycobacterium strains, with the lowest MIC (5 μM). AgNP LP 2 was found to be efficient to penetrate the mycobacterial cell wall, inducing membranolytic activity, triggering oxidative stress and degrading DNA, which led to the death of mycobacterial cells. Molecular docking and molecular dynamics (MD) simulations of the peptides with key enzyme FadD32 (MsmFadD32), Mycobacterium smegmatis, demonstrated strong interactions near the active site cleft, indicating potential inhibition of the mycolic acid biosynthesis pathway by the LP 2 peptide. This disruption likely challenges the organism's pathogenicity and supports the peptides' role in contributing to membranolytic activity. Additionally, AgNP LP 2 demonstrated the ability to inhibit biofilm formation and effectively disrupt preformed mycobacterial biofilms while exhibiting negligible cytotoxicity toward human embryonic kidney (HEK293) cells. In summary, our results suggest that newly developed AgNPs exhibit antimycobacterial activity without compromising the cell viability of normal cells, making them highly potent as prospective antimycobacterial agents.

耐药微生物的增加使得抗菌治疗越来越具有挑战性,尽管有一些关于肽功能化银纳米颗粒的报道,但它们对分枝杆菌物种的功效仍未得到充分研究。在这项研究中,我们合成了短肽功能化的银纳米粒子,以开发一种有效的抗细菌剂,其中肽在一锅合成银纳米粒子(AgNPs)中同时起到还原和稳定剂的作用。采用高分辨率透射电子显微镜(HR-TEM)、动态光散射(DLS)、傅里叶变换红外光谱(FTIR)和紫外可见光谱(UV-vis)对纳米颗粒进行了表征。与单独的肽相比,带正电荷的肽包覆银纳米颗粒对抗酸分枝杆菌菌株(包括耻垢分枝杆菌、牛分枝杆菌和海洋分枝杆菌)表现出显著的抗细菌活性,这可能是由于肽功能化AgNPs的综合作用。在合成的纳米颗粒中,线性肽2 (LP 2)功能化的AgNP对分枝杆菌的抑菌效果最高,MIC最低(5 μM)。发现AgNP - LP 2能有效穿透分枝杆菌细胞壁,诱导膜解活性,引发氧化应激,降解DNA,导致分枝杆菌细胞死亡。分子对接和分子动力学(MD)模拟显示,与耻垢分枝杆菌关键酶FadD32 (MsmFadD32)的肽在活性位点间隙附近有很强的相互作用,表明LP 2肽可能抑制霉菌酸生物合成途径。这种破坏可能会挑战生物体的致病性,并支持肽在促进膜分解活性中的作用。此外,AgNP LP 2显示出抑制生物膜形成的能力,并有效地破坏预先形成的分枝杆菌生物膜,同时对人胚胎肾(HEK293)细胞表现出微不足道的细胞毒性。总之,我们的研究结果表明,新开发的AgNPs在不影响正常细胞活力的情况下表现出抗细菌活性,使其成为潜在的抗细菌药物。
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引用次数: 0
Theranostic Folate-Targeted Doxorubicin-Loaded MIL-88A@CuFe2O4 Nanohybrids, a pH-Sensitive, Core-Shell, Mesoporous Drug Delivery Platform with Dual-Modal T1-T2MRI and Optical Imaging Contrast Properties: An In Vitro and In Vivo Cancer Study. 治疗性叶酸靶向阿霉素负载MIL-88A@CuFe2O4纳米杂化物,ph敏感,核壳,介孔药物传递平台,具有双模态T1-T2MRI和光学成像对比特性:一项体外和体内癌症研究。
IF 4.7 Q2 MATERIALS SCIENCE, BIOMATERIALS Pub Date : 2026-02-02 DOI: 10.1021/acsabm.5c01914
Motahareh Rezvan, Amirhosein Kefayat, Mohammadmahdi Doostmohammadi, Fatemeh Molaabasi, Gholamhossein Riazi, Mahmoud Reza Aghamaali, Babak Mikaeeli Kangarshahi, Ramin Sarrami Forooshani

Multifunctional magneto-theranostic nanoplatform, with integrate imaging and therapy in simple platform offer transformative potential for precision cancer management due to their strong magnetic properties, biocompatibility, and versatile theranostic capabilities. Here, we report for the first time the theranostic application of in situ mesoporous core-shell MIL-88A@CuFe2O4 nanohybrid, as an interesting smart platform for dual-mode T1-T2MRI and optical imaging with quantitative analysis, combined with pH-sensitive targeted drug delivery. The nanohybrid was fabricated via a simple in situ synthesis, where Fe (0) from the CuFe2O4 core serves as a Fe3+ source for MIL-88A shell crystallization in the presence of fumaric acid, producing a mesoporous structure with high porosity and strong magnetism. Fe3+ centers in the MIL-88A shell provide T1 contrast, while the CuFe2O4 core enhances both T1 and T2 signals, achieving robust dual-mode MRI (r1 = 73.0 mM-1 s-1, r2 = 700.9 mM-1 s-1). The mesoporous shell allows pH-sensitive controlled release of doxorubicin, and folate conjugation ensures active tumor targeting, while intrinsic doxorubicin fluorescence enables optical tracking of biodistribution in vivo. Comprehensive in vitro and in vivo evaluations demonstrated high biocompatibility, selective cancer cell uptake, effective pH-responsive drug release, dual-modal MRI and fluorescence contrast, and significant tumor growth inhibition in a triple-negative breast cancer (4T1) mouse model. The nanohybrid's combination of high porosity, strong magnetism, dual T1-T2MRI contrast, targeted drug delivery, and therapeutic efficacy distinguish it from existing theranostic agents. This work highlights a theranostic application of MIL-88A@CuFe2O4 nanohybrids, demonstrating their potential as a unique multifunctional platform for precise cancer diagnosis and treatment.

多功能磁治疗纳米平台,将成像和治疗集成在一个简单的平台上,由于其强大的磁性、生物相容性和多功能的治疗能力,为精确的癌症管理提供了革命性的潜力。在这里,我们首次报道了原位介孔核壳MIL-88A@CuFe2O4纳米杂化物的治疗应用,作为一种有趣的智能平台,用于双模T1-T2MRI和光学成像与定量分析,结合ph敏感靶向药物递送。在富马酸存在下,CuFe2O4核中的Fe(0)作为Fe3+源使MIL-88A壳晶化,制备出具有高孔隙率和强磁性的介孔结构。MIL-88A外壳中的Fe3+中心提供T1对比,而CuFe2O4核心增强T1和T2信号,实现鲁棒双模MRI (r1 = 73.0 mM-1 s-1, r2 = 700.9 mM-1 s-1)。介孔外壳允许ph敏感的控制释放阿霉素,叶酸缀合确保活性肿瘤靶向,而固有的阿霉素荧光可以光学跟踪体内生物分布。综合体外和体内评估表明,在三阴性乳腺癌(4T1)小鼠模型中,高生物相容性,选择性癌细胞摄取,有效的ph反应性药物释放,双模态MRI和荧光对比以及显著的肿瘤生长抑制。高孔隙度、强磁性、T1-T2MRI双显像、靶向给药和治疗效果使其区别于现有的治疗药物。这项工作突出了MIL-88A@CuFe2O4纳米杂交体的治疗应用,展示了它们作为精确癌症诊断和治疗的独特多功能平台的潜力。
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引用次数: 0
Integrating Spectroscopy, Molecular Docking, and Machine Learning to Decipher Mycotoxin-Protein-Binding Mechanisms. 整合光谱学、分子对接和机器学习来破译霉菌毒素-蛋白质结合机制。
IF 4.7 Q2 MATERIALS SCIENCE, BIOMATERIALS Pub Date : 2026-02-02 DOI: 10.1021/acsabm.5c01973
Harshal V Barkale, Swapan Patra, Nilanjan Dey

This study investigates the molecular interactions of two mycotoxins, ochratoxin A (OTA) and citrinin (CIT), with globular proteins, such as human serum albumin (HSA) and lysozyme (LYS), using an integrated spectroscopic, computational, and machine learning (ML) approach. Fluorescence and UV-visible spectroscopy revealed that OTA binds strongly to HSA through static quenching, with binding constants of 1.12 × 105 M-1 at 298 K and 1.33 × 104 M-1 at 323 K, indicating enthalpy-driven stabilization via hydrogen bonding and van der Waals forces. In contrast, CIT displayed weaker polarity-driven interactions with both proteins. ML models, particularly random forest and Gaussian process regression, achieved near-perfect prediction of quenching behavior (R2 ≈ 0.985), surpassing traditional methods. Molecular docking corroborated spectroscopic findings, highlighting stronger OTA-HSA affinity compared to that of OTA-LYS and CIT complexes. Overall, the results demonstrate that combining spectroscopy, ML, and docking offers quantitative and mechanistic insights into mycotoxin-protein binding, with implications for toxicity assessment and detoxification strategies.

本研究利用综合光谱、计算和机器学习(ML)方法,研究了两种真菌毒素赭曲霉毒素A (OTA)和柑橘霉素(CIT)与球状蛋白(如人血清白蛋白(HSA)和溶菌酶(LYS))的分子相互作用。荧光光谱和紫外可见光谱显示,OTA通过静态猝灭与HSA结合,298 K时的结合常数为1.12 × 105 M-1, 323 K时的结合常数为1.33 × 104 M-1,表明OTA通过氢键和范德华力实现了焓驱动的稳定。相比之下,CIT与这两种蛋白质的极性驱动相互作用较弱。ML模型,特别是随机森林模型和高斯过程回归模型,实现了近乎完美的猝灭行为预测(R2≈0.985),超越了传统方法。分子对接证实了光谱结果,表明与OTA-LYS和CIT复合物相比,OTA-HSA的亲和力更强。总的来说,结果表明,结合光谱、ML和对接,可以定量和机制地了解真菌毒素与蛋白质的结合,对毒性评估和解毒策略具有重要意义。
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引用次数: 0
Synergistic Anti-Inflammatory Effects and Efficient Weight Loss through the Combination of Chinese Herbs and Photothermal Therapy in Obesity Treatment. 中药与光热疗法联合治疗肥胖的协同抗炎和有效减肥作用。
IF 4.7 Q2 MATERIALS SCIENCE, BIOMATERIALS Pub Date : 2026-02-02 DOI: 10.1021/acsabm.5c02471
Qilin Wu, Xunjun Li, Yingxin Xie, Qijie Deng, Chuanfa Fang, Yujin Lai, Zhouyingyi Liu, Daoming Zhu, Tao Chen

The global rise in obesity rates presents a pressing international challenge. Despite substantial investments and research endeavors in pharmaceutical treatments for obesity, the use of high doses over extended periods has resulted in a spectrum of difficult-to-manage side effects. In this study, we introduce a novel photothermal-pharmacotherapy approach that combines a near-infrared absorbing aggregation-induced emissive (AIE) photothermal agent with the Chinese herbal medicine, morin. The AIE photothermal agent generates heat upon laser exposure to target and eliminate adipocytes, while morin reduces reactive oxygen species levels in inguinal white adipose tissue (iWAT), the injection site, exerting antioxidant and anti-inflammatory effects that mitigate potential heat-induced inflammation. Our findings reveal that morin can act as a synergistic photothermal codriving agent, enhancing adipocyte destruction. Remarkably, compared to the control group, the photothermal-pharmacotherapy group shows a 20% reduction in body weight, along with decreases of 17.9% in liver weight, 44.1% in epididymal white fat, 38.9% in mesenteric white fat, 45.7% in retroperitoneal white fat, and 68.4% in subcutaneous white fat in mice. Overall, this research underscores the efficacy of combining AIE photothermal agents with natural Chinese herbal compounds as a promising strategy for anti-inflammatory interventions and offers insights into combating obesity.

全球肥胖率的上升是一项紧迫的国际挑战。尽管在肥胖的药物治疗方面进行了大量的投资和研究,但长期使用高剂量已经导致了一系列难以控制的副作用。在这项研究中,我们介绍了一种新的光热药物治疗方法,该方法将近红外吸收聚集诱导发射(AIE)光热剂与中草药桑苷结合在一起。AIE光热剂在激光照射靶标时产生热量并消除脂肪细胞,而桑辣素可降低注射部位腹股沟白色脂肪组织(iWAT)中的活性氧水平,发挥抗氧化和抗炎作用,减轻潜在的热诱导炎症。我们的研究结果表明,桑里素可以作为一种协同光热共驱动剂,增强脂肪细胞的破坏。值得注意的是,与对照组相比,光热药物治疗组小鼠体重减轻了20%,肝脏重量减少了17.9%,附睾白色脂肪减少了44.1%,肠系膜白色脂肪减少了38.9%,腹膜后白色脂肪减少了45.7%,皮下白色脂肪减少了68.4%。总的来说,本研究强调了AIE光热剂与天然中草药化合物联合使用的有效性,这是一种有前途的抗炎干预策略,并为对抗肥胖提供了见解。
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