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Helically Assembled Rare Earth Fluoride Nanoparticles with Multicolor Circularly Polarized Luminescence for High-Security Anti-Counterfeiting 具有多色圆偏振光的螺旋组装氟化稀土纳米颗粒的高安全性防伪
IF 13.9
Aggregate (Hoboken, N.J.) Pub Date : 2025-04-15 DOI: 10.1002/agt2.70042
Wen Yuan, Shan Lu, Xingjun Li, Zhuo Li, Xiaobo Gu, Xingyang Liu, Zhixiao Ren, Fei Wang, Xueyuan Chen
{"title":"Helically Assembled Rare Earth Fluoride Nanoparticles with Multicolor Circularly Polarized Luminescence for High-Security Anti-Counterfeiting","authors":"Wen Yuan,&nbsp;Shan Lu,&nbsp;Xingjun Li,&nbsp;Zhuo Li,&nbsp;Xiaobo Gu,&nbsp;Xingyang Liu,&nbsp;Zhixiao Ren,&nbsp;Fei Wang,&nbsp;Xueyuan Chen","doi":"10.1002/agt2.70042","DOIUrl":"https://doi.org/10.1002/agt2.70042","url":null,"abstract":"<p>Multicolor circularly polarized luminescence (CPL) materials show considerable potential in the field of advanced anti-counterfeiting. However, it remains challenging to achieve stable inorganic materials with multicolor CPL. In this work, for the first time, chiroptical rare earth (RE) fluoride nanoparticles induced by helical silica are obtained through a facile in situ assembly strategy. The influence of assembly ratio and morphological structure on the luminescence dissymmetry factor (g<sub>lum</sub>) has been systematically investigated, leading to an optimized g<sub>lum</sub> value of 4.7 × 10<sup>−3</sup>. By adjusting the types and concentrations of RE dopants (Ce<sup>3+</sup>, Tb<sup>3+</sup>, Eu<sup>3+</sup>), the nanocomposites exhibit multicolor CPL and time-resolved photoluminescence characteristics. Remarkably, these nanocomposites retain their CPL activity even after calcination at 400°C. Leveraging the visible multicolor emissions, along with the hidden dynamic and chiroptical signals, the nanocomposites are successfully applied in high-security anti-counterfeiting patterns and multilevel optical encryption codes.</p>","PeriodicalId":72127,"journal":{"name":"Aggregate (Hoboken, N.J.)","volume":"6 7","pages":""},"PeriodicalIF":13.9,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/agt2.70042","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144666234","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
An Efficient Heat and Peroxynitrite Generating Nanoplatform for Multimodal Imaging-guided Precision Tumor Phototherapy 一种用于多模态成像引导精确肿瘤光疗的高效热生成和过氧亚硝酸盐纳米平台
IF 13.9
Aggregate (Hoboken, N.J.) Pub Date : 2025-04-13 DOI: 10.1002/agt2.70040
Ziyi Xu, Mingkun Lv, Jingkai Yang, Tingting Li, Jiahui Lv, Jiaxin Li, Hongjun Xiao, Yicheng Yang, Siyu Zhou, Xuan Tan, Li Cheng, Heng Guo, Lei Xi, Pan-Lin Shao, Bo Zhang
{"title":"An Efficient Heat and Peroxynitrite Generating Nanoplatform for Multimodal Imaging-guided Precision Tumor Phototherapy","authors":"Ziyi Xu,&nbsp;Mingkun Lv,&nbsp;Jingkai Yang,&nbsp;Tingting Li,&nbsp;Jiahui Lv,&nbsp;Jiaxin Li,&nbsp;Hongjun Xiao,&nbsp;Yicheng Yang,&nbsp;Siyu Zhou,&nbsp;Xuan Tan,&nbsp;Li Cheng,&nbsp;Heng Guo,&nbsp;Lei Xi,&nbsp;Pan-Lin Shao,&nbsp;Bo Zhang","doi":"10.1002/agt2.70040","DOIUrl":"https://doi.org/10.1002/agt2.70040","url":null,"abstract":"<p>Near-infrared II (NIR-II) fluorescent nanoparticles (NPs) based on aggregation-induced emission (AIE) have attracted significant attention due to their multimodal imaging capabilities as well as the combined photothermal and photodynamic therapeutic effects in cancer therapy. Reported herein is the rational designed AIE molecule (BPT), via incorporating phenothiazine units with strong electron-donating and reactive oxygen species (ROS) generation capabilities into the classical AIE scaffold tetraphenylethylene, further coupled with a strong electron-acceptor named benzo[1,2-c:4,5-c']bis[1,2,5]thiadiazole. The BPT NPs exhibited maximum NIR-II fluorescence emission at 1083 nm, a fluorescence quantum yield of 1.53%, photothermal conversion efficiency of 63%, and photoacoustic imaging capabilities, alongside considerable type I ROS generation ability. Additionally, when a kind of nitric oxide (NO) donor named O<sub>2</sub>-(2,4-dinitrophenyl) 1-[(4-ethoxycarbonyl) piperazin-1-yl]diazen-1-ium-1,2-diolate (JSK) was incorporated, the corresponding JSK-BPT NPs could generate O<sub>2</sub><sup>−</sup>, NO, and peroxynitrite to induce phototoxicity. By applying it to the 4T1 breast tumor model, JSK-BPT NPs achieved high-quality multimodal imaging of the vasculature and tumor regions in mice. Under the multimodal imaging guidance, the 4T1 tumor could be ablated completely after a single dose of JSK-BPT NPs and under the irradiation of an 808 nm laser.</p>","PeriodicalId":72127,"journal":{"name":"Aggregate (Hoboken, N.J.)","volume":"6 6","pages":""},"PeriodicalIF":13.9,"publicationDate":"2025-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/agt2.70040","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144339285","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Development and Application of Organic Sonosensitizers in Cancer Therapy 有机超声增敏剂在肿瘤治疗中的发展与应用
IF 13.9
Aggregate (Hoboken, N.J.) Pub Date : 2025-04-11 DOI: 10.1002/agt2.70032
Yuhan Ding, Yuchen Yang, Omer Aras, Feifei An, Mengjiao Zhou, Yichao Chai
{"title":"Development and Application of Organic Sonosensitizers in Cancer Therapy","authors":"Yuhan Ding,&nbsp;Yuchen Yang,&nbsp;Omer Aras,&nbsp;Feifei An,&nbsp;Mengjiao Zhou,&nbsp;Yichao Chai","doi":"10.1002/agt2.70032","DOIUrl":"https://doi.org/10.1002/agt2.70032","url":null,"abstract":"<p>Sonodynamic therapy (SDT) is an innovative cancer therapy modality that harnesses the energy of ultrasound to activate sonosensitizers for producing reactive oxygen species (ROS), culminating in the eradication of tumor cells. Compared with photodynamic therapy, SDT has the capacity to penetrate deeply into biological tissues, thereby holding significant promise for addressing deeply situated or surgically inaccessible tumors. The effectiveness of SDT is greatly dependent on the characteristics of the sonosensitizers, and unlike inorganic sonosensitizers, organic sonosensitizers offer a more controlled synthesis process and have excellent biocompatibility. This review presents a meticulous undertaking to categorize organic sonosensitizers and elucidate their mechanisms of action and therapeutic effects in the context of SDT. Design strategies for sonosensitizers are also summarized, and we emphasize the critical role of nanotechnology in tumor localization, imaging, and multimodal synergistic therapy, offering an innovative approach for achieving precise tumor targeting. In addition, the synergistic impact of SDT is delineated when integrated with other oncological modalities, such as photothermal therapy and photodynamic therapy, to enhance therapeutic efficacy. Finally, the review also discusses challenges and future perspectives for the advancement of clinical SDT within the realm of oncology.</p>","PeriodicalId":72127,"journal":{"name":"Aggregate (Hoboken, N.J.)","volume":"6 6","pages":""},"PeriodicalIF":13.9,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/agt2.70032","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144339444","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Near-Infrared Organic Room Temperature Phosphorescent Probes Targeting Fibroblast Activation Protein for Surgical Navigation of Liver Cancer 靶向成纤维细胞激活蛋白的近红外室温磷光探针在肝癌手术导航中的应用
IF 13.9
Aggregate (Hoboken, N.J.) Pub Date : 2025-04-06 DOI: 10.1002/agt2.70031
Jinghua Li, Juqing Gu, Liangxuan Ding, Xiaomian Li, Peng Xia, Fusheng Liu, Xi Chen, Weijie Ma, Yong He, Qianqian Li, Zhen Li, Yufeng Yuan
{"title":"Near-Infrared Organic Room Temperature Phosphorescent Probes Targeting Fibroblast Activation Protein for Surgical Navigation of Liver Cancer","authors":"Jinghua Li,&nbsp;Juqing Gu,&nbsp;Liangxuan Ding,&nbsp;Xiaomian Li,&nbsp;Peng Xia,&nbsp;Fusheng Liu,&nbsp;Xi Chen,&nbsp;Weijie Ma,&nbsp;Yong He,&nbsp;Qianqian Li,&nbsp;Zhen Li,&nbsp;Yufeng Yuan","doi":"10.1002/agt2.70031","DOIUrl":"https://doi.org/10.1002/agt2.70031","url":null,"abstract":"<p>Hepatectomy is a critical treatment for liver cancer, but achieving complete tumor removal remains challenging. The development of tumor-targeting probes capable of accurately identifying tumor locations and providing real-time intraoperative navigation is of significant clinical importance. We synthesize a tumor-targeted probe by conjugating a fibroblast activation protein inhibitor (FAPI) with near-infrared organic room temperature phosphorescence (RTP) material. We then analyze its surgical navigation performance in the liver cancer model and its imaging performance in fresh patient-derived samples. In vivo validation reveals that the probe exhibits optimal phosphorescence intensity within 48 h (8.53 × 10<sup>5</sup> p s<sup>−1</sup> cm<sup>−2</sup> sr<sup>−1</sup>) and an average signal-to-noise ratio of 16. The probe could effectively identify FAP-positive samples from liver cancer patients. The successful application of phosphorescence-guided surgery suggests that the near-infrared RTP probe holds significant clinical translational value and could serve as an auxiliary tool for the surgical treatment of liver cancer.</p>","PeriodicalId":72127,"journal":{"name":"Aggregate (Hoboken, N.J.)","volume":"6 6","pages":""},"PeriodicalIF":13.9,"publicationDate":"2025-04-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/agt2.70031","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144339343","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Integrating Aggregate Materials and Machine Learning Algorithms: Advancing Detection of Pathogen-Derived Extracellular Vesicles 整合聚合材料和机器学习算法:推进病原体来源的细胞外囊泡的检测
IF 13.9
Aggregate (Hoboken, N.J.) Pub Date : 2025-03-27 DOI: 10.1002/agt2.70018
Lihan Lai, Yun Su, Cong Hu, Zehong Peng, Wei Xue, Liang Dong, Tony Y. Hu
{"title":"Integrating Aggregate Materials and Machine Learning Algorithms: Advancing Detection of Pathogen-Derived Extracellular Vesicles","authors":"Lihan Lai,&nbsp;Yun Su,&nbsp;Cong Hu,&nbsp;Zehong Peng,&nbsp;Wei Xue,&nbsp;Liang Dong,&nbsp;Tony Y. Hu","doi":"10.1002/agt2.70018","DOIUrl":"https://doi.org/10.1002/agt2.70018","url":null,"abstract":"<p>Extracellular vesicles (EVs) are essential for host–pathogen interactions, mediating processes such as immune modulation and pathogen survival. Pathogen-derived EVs hold significant diagnostic potential because of their unique cargo, offering a wealth of potential biomarkers. In this review, we first discuss the roles of EVs derived from various pathogens in host–pathogen interactions and summarize the latest advancements in pathogen detection based on EVs. Then, we highlight innovative strategies, including novel aggregate materials and machine learning approaches, for enhancing EV detection and analysis. Finally, we discuss challenges in the field and future directions for advancing EV-based diagnostics, aiming to translate these insights into clinical applications.</p>","PeriodicalId":72127,"journal":{"name":"Aggregate (Hoboken, N.J.)","volume":"6 5","pages":""},"PeriodicalIF":13.9,"publicationDate":"2025-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/agt2.70018","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144091789","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Size-dependent Stability and Luminescence Property in Organic Aggregates 有机聚集体的尺寸依赖性稳定性和发光特性
IF 13.9
Aggregate (Hoboken, N.J.) Pub Date : 2025-03-27 DOI: 10.1002/agt2.70029
Junfang Yang, Jikai Lv, Yuan Jiao, Xiaoyan Zheng, Qian Peng
{"title":"Size-dependent Stability and Luminescence Property in Organic Aggregates","authors":"Junfang Yang,&nbsp;Jikai Lv,&nbsp;Yuan Jiao,&nbsp;Xiaoyan Zheng,&nbsp;Qian Peng","doi":"10.1002/agt2.70029","DOIUrl":"https://doi.org/10.1002/agt2.70029","url":null,"abstract":"<p>Unveiling the dependence of stability and luminescence properties on the size of organic aggregates is crucial for biomedical and optoelectronic applications. Taking the helical hexaphenylsilole (HPS) and planar 3-(2-cyano-2-phenylethenyl-Z)-NH-indole (CPEI) aggregates of different sizes as examples, their stability and luminescent properties are investigated using multiscale modeling and thermal vibration correlation function approach. The size of stable aggregates formed depends on the molecular shape, with the critical aggregate sizes of 2.62 nm (2 molecules) and 2.87 nm (10 molecules) for helical HPS and planar CPEI, respectively. Their critical sizes for luminescence are 2.99 nm (6 molecules) and 2.87 nm (10 molecules), respectively. For HPS aggregates, as the size increases the luminescence is blue-shifted and enhanced owing to denser molecular packing until the size is large enough (4.66 nm, 20 molecules) the luminescence tends to remain unchanged; and thermal annealing makes these changes more pronounced. In contrast, the luminescent properties of CPEI aggregates are insensitive to aggregate size and thermal annealing treatment. These findings provide dynamic insights into the AIE mechanism and invaluable guidance for optimizing the size of AIE-based nanoparticles in practical applications.</p>","PeriodicalId":72127,"journal":{"name":"Aggregate (Hoboken, N.J.)","volume":"6 6","pages":""},"PeriodicalIF":13.9,"publicationDate":"2025-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/agt2.70029","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144339635","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Inside Back Cover: Ultrafast Excitonic Transitions in Enantiopure and Racemic Squaraine Thin Films 封底内页对映体和外消旋水杨酸薄膜中的超快激子跃迁
IF 13.9
Aggregate (Hoboken, N.J.) Pub Date : 2025-03-24 DOI: 10.1002/agt2.70027
Robin Bernhardt, Lukas Rieland, Tianyi Wang, Marvin F. Schumacher, Arne Lützen, Manuela Schiek, Paul H. M. van Loosdrecht
{"title":"Inside Back Cover: Ultrafast Excitonic Transitions in Enantiopure and Racemic Squaraine Thin Films","authors":"Robin Bernhardt,&nbsp;Lukas Rieland,&nbsp;Tianyi Wang,&nbsp;Marvin F. Schumacher,&nbsp;Arne Lützen,&nbsp;Manuela Schiek,&nbsp;Paul H. M. van Loosdrecht","doi":"10.1002/agt2.70027","DOIUrl":"https://doi.org/10.1002/agt2.70027","url":null,"abstract":"<p>Enantiopure ProSQ-C16 thin films exhibit an unusually large excitonic circular dichroism signal. Using steady-state and ultrafast transient absorption spectroscopy, Bernhardt et al. reveal that the optical response and its circular dichroism originate from a single type of predominantly J-like aggregated ProSQ-C16 molecules. A rapid transition to a dark intermediate state via intermolecular charge transfer and exciton-vibration coupling is suggested to be responsible for the suppression of the fluorescence, highlighting the importance of non-Frenkel exciton dynamics (e698).\u0000\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure></p>","PeriodicalId":72127,"journal":{"name":"Aggregate (Hoboken, N.J.)","volume":"6 3","pages":""},"PeriodicalIF":13.9,"publicationDate":"2025-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/agt2.70027","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143689715","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Back Cover: Carbon Quantum Dots in Biomedical Applications: Advances, Challenges, and Future Prospects 封底:碳量子点在生物医学上的应用:进展、挑战和未来前景
IF 13.9
Aggregate (Hoboken, N.J.) Pub Date : 2025-03-24 DOI: 10.1002/agt2.70028
Nadezhda A. Pechnikova, Kalliopi Domvri, Konstantinos Porpodis, Maria S. Istomina, Aleksandra V. Iaremenko, Alexey V. Yaremenko
{"title":"Back Cover: Carbon Quantum Dots in Biomedical Applications: Advances, Challenges, and Future Prospects","authors":"Nadezhda A. Pechnikova,&nbsp;Kalliopi Domvri,&nbsp;Konstantinos Porpodis,&nbsp;Maria S. Istomina,&nbsp;Aleksandra V. Iaremenko,&nbsp;Alexey V. Yaremenko","doi":"10.1002/agt2.70028","DOIUrl":"https://doi.org/10.1002/agt2.70028","url":null,"abstract":"<p>Carbon quantum dots (CQDs) illuminate a new frontier in biomedicine with their fluorescence-driven multifunctionality and biocompatibility. This review highlights CQDs as potent tools for targeting cancer cells, delivering drugs, combating pathogens, and generating reactive oxygen species for advanced therapies like photodynamic and photothermal treatment. These nanomaterials promise breakthroughs in imaging, diagnostics, and personalized medicine, overcoming biomedical challenges through innovative design (e707).\u0000\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure></p>","PeriodicalId":72127,"journal":{"name":"Aggregate (Hoboken, N.J.)","volume":"6 3","pages":""},"PeriodicalIF":13.9,"publicationDate":"2025-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/agt2.70028","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143689716","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Front Cover: Long-Term In Vivo Fluorescence Analyses and Imaging-Guided Tumor Surgery in the Second Near-Infrared Window Using a Supramolecular Metallacage 封面:利用超分子金属骨架在第二近红外窗口进行长期体内荧光分析和成像引导的肿瘤手术
IF 13.9
Aggregate (Hoboken, N.J.) Pub Date : 2025-03-24 DOI: 10.1002/agt2.70025
Yi Qin, Niu Niu, Xue Li, Xueke Yan, Shuai Lu, Zhikai Li, Yixiong Gui, Jun-Long Zhu, Lin Xu, Xiaopeng Li, Dong Wang, Ben Zhong Tang
{"title":"Front Cover: Long-Term In Vivo Fluorescence Analyses and Imaging-Guided Tumor Surgery in the Second Near-Infrared Window Using a Supramolecular Metallacage","authors":"Yi Qin,&nbsp;Niu Niu,&nbsp;Xue Li,&nbsp;Xueke Yan,&nbsp;Shuai Lu,&nbsp;Zhikai Li,&nbsp;Yixiong Gui,&nbsp;Jun-Long Zhu,&nbsp;Lin Xu,&nbsp;Xiaopeng Li,&nbsp;Dong Wang,&nbsp;Ben Zhong Tang","doi":"10.1002/agt2.70025","DOIUrl":"https://doi.org/10.1002/agt2.70025","url":null,"abstract":"<p>A discrete prism-like Pt(II) metallacage with NIR-II emission was constructed via coordination-driven self-assembly, and the brilliant fluorescence of the metallacage-loaded nanoparticles in the NIR-II window enables them well perform on the long-term fluorescence analysis in vivo, which revealed the gradual transfer of nanoparticles into bones from blood and the retention of nanoparticles in the bones for even 35 days (e708).\u0000\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure></p>","PeriodicalId":72127,"journal":{"name":"Aggregate (Hoboken, N.J.)","volume":"6 3","pages":""},"PeriodicalIF":13.9,"publicationDate":"2025-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/agt2.70025","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143689710","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Bridging Mechanical Properties with Atomic Structures of Polymorphic α-Synuclein Fibrils by Single-Molecule Analysis and Molecular Dynamics Simulations 多晶α-突触核蛋白原纤维与原子结构的桥接力学性能的单分子分析和分子动力学模拟
IF 13.9
Aggregate (Hoboken, N.J.) Pub Date : 2025-03-13 DOI: 10.1002/agt2.70023
Lulu Bi, Linge Li, Xiang Li, Shaojuan Wu, Xia Zhang, Yilin Zhao, Dan Li, Cong Liu, Zhonghuai Hou, Bo Sun
{"title":"Bridging Mechanical Properties with Atomic Structures of Polymorphic α-Synuclein Fibrils by Single-Molecule Analysis and Molecular Dynamics Simulations","authors":"Lulu Bi,&nbsp;Linge Li,&nbsp;Xiang Li,&nbsp;Shaojuan Wu,&nbsp;Xia Zhang,&nbsp;Yilin Zhao,&nbsp;Dan Li,&nbsp;Cong Liu,&nbsp;Zhonghuai Hou,&nbsp;Bo Sun","doi":"10.1002/agt2.70023","DOIUrl":"https://doi.org/10.1002/agt2.70023","url":null,"abstract":"<p>α-Synuclein (α-syn) forms structurally distinct fibril polymorphs with various pathological activities in different subtypes of synucleinopathies, such as Parkinson's disease (PD). As a unique proteinaceous polymer, the mechanical property of α-syn fibril is a primary determinant of its neurotoxicity, immunogenicity, and seeding and transmission capacity. Nevertheless, how genetic mutations in α-syn fibrils cause varied polymer behaviors remains largely unknown. Using optical tweezers, we quantitatively characterize the mechanical properties of three α-syn fibril variants at the single-molecule level. We find that wild-type α-syn fibrils are generally more sustainable to an axial disruption force than those formed by the disease-causing E46K and A53T α-syn mutants, whereas their heterogeneous elastic properties manifest similarity. Based on the molecular dynamics simulations, the β-sheet motif and the interface between the two protofilaments dominate in stabilizing the fibril structure. Additionally, single-molecule and simulation analysis consistently reveal the force-driven α-syn protein unfolding without a fibril break. Due to the flexible periphery, these subtle structural changes become more pronounced with the E46K fibril. The structure–mechanics relationship of α-syn fibrils built in this work sheds new light on the fibril assembly and disassembly mechanism and the mutant-associated pathogenesis in PD.</p>","PeriodicalId":72127,"journal":{"name":"Aggregate (Hoboken, N.J.)","volume":"6 5","pages":""},"PeriodicalIF":13.9,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/agt2.70023","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144091371","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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