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Droplets, Micelles, and More Complex Structures of Polyampholyte Aggregates 液滴、胶束和更复杂的聚集体结构
IF 5.5 1区 化学
Macromolecules Pub Date : 2025-06-24 DOI: 10.1021/acs.macromol.5c00786
Seowon Kim, Nam-Kyung Lee, Albert Johner, Youngkyun Jung
{"title":"Droplets, Micelles, and More Complex Structures of Polyampholyte Aggregates","authors":"Seowon Kim, Nam-Kyung Lee, Albert Johner, Youngkyun Jung","doi":"10.1021/acs.macromol.5c00786","DOIUrl":"https://doi.org/10.1021/acs.macromol.5c00786","url":null,"abstract":"Polyampholytes are polymers that contain both positive and negative charges, allowing them to self-assemble into various structures under specific conditions. In this study, we investigate the effects of charge sequence on the morphology of polyampholyte aggregates, focusing on chains with a moderate net charge. Using molecular dynamics (MD) simulations, we analyze how the charge sequence influences aggregate formation at varying concentrations. Our findings demonstrate that the charge sequence plays a crucial role in determining the size and morphology of aggregates, with certain sequences forming core-corona structures of the micelle type. In particular, polyelectrolyte-like charged tail sequences predominantly contribute to corona formation, influencing not only aggregate size but also its stability and dynamics. For the range of aggregate sizes explored, the fraction of chain ends participating in the corona increases linearly with the aggregation number. Despite the presence of a kinetic barrier, the equilibrium aggregation number of micelle-type aggregates can be significantly larger than that of the droplets. The presence of charged tails and the magnitude of the central net charge are key factors driving structural diversity, leading to the formation of droplets, micelles, interconnected micelles and droplets, and network-like aggregates. Additionally, charge compensation within the polymer and the condensation of counterions play significant roles in stabilizing aggregates and regulating their growth. Our current simulations do not include salt, which limits direct applicability to biological systems. The effect of the salt is discussed only qualitatively. Nonetheless, these findings enhance our understanding of polymer self-assembly and may aid in the design of polymer-based nanomaterials.","PeriodicalId":51,"journal":{"name":"Macromolecules","volume":"101 1","pages":""},"PeriodicalIF":5.5,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144370755","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
IF 5.1 1区 化学
Macromolecules Pub Date : 2025-06-24
Lv-Zhou Guo, Chao-Hao Wu, Holger Merlitz, Jia-Jia Chen, Zhen-Zhong Yang, M. Gregory Forest, Chen-Xu Wu and Xue-Zheng Cao*, 
{"title":"","authors":"Lv-Zhou Guo, Chao-Hao Wu, Holger Merlitz, Jia-Jia Chen, Zhen-Zhong Yang, M. Gregory Forest, Chen-Xu Wu and Xue-Zheng Cao*, ","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":51,"journal":{"name":"Macromolecules","volume":"58 12","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":5.1,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.macromol.5c01029","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144343769","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
IF 5.1 1区 化学
Macromolecules Pub Date : 2025-06-24
Tzu-Ling Ma, Wei-Ting Du, Yang-Chin Kao, Mohamed Gamal Mohamed and Shiao-Wei Kuo*, 
{"title":"","authors":"Tzu-Ling Ma, Wei-Ting Du, Yang-Chin Kao, Mohamed Gamal Mohamed and Shiao-Wei Kuo*, ","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":51,"journal":{"name":"Macromolecules","volume":"58 12","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":5.1,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.macromol.5c00004","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144429208","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
IF 5.1 1区 化学
Macromolecules Pub Date : 2025-06-24
Ji-Yuan Xing, Sheng Li, Bo Liu*, Hong Liu* and You-Liang Zhu*, 
{"title":"","authors":"Ji-Yuan Xing, Sheng Li, Bo Liu*, Hong Liu* and You-Liang Zhu*, ","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":51,"journal":{"name":"Macromolecules","volume":"58 12","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":5.1,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.macromol.5c00983","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144429227","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
IF 5.1 1区 化学
Macromolecules Pub Date : 2025-06-24
Jesse Kuebler, Sunil Dhapola, Trygve Santelman and Lucia Fernandez-Ballester*, 
{"title":"","authors":"Jesse Kuebler, Sunil Dhapola, Trygve Santelman and Lucia Fernandez-Ballester*, ","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":51,"journal":{"name":"Macromolecules","volume":"58 12","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":5.1,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.macromol.5c00384","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144429242","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
IF 5.1 1区 化学
Macromolecules Pub Date : 2025-06-24
Joan M. Montes de Oca, Ruilin Dong, Gervasio Zaldivar, Ge Sun, Zhongyang Wang, Shrayesh N. Patel, Paul F. Nealey* and Juan J. de Pablo*, 
{"title":"","authors":"Joan M. Montes de Oca, Ruilin Dong, Gervasio Zaldivar, Ge Sun, Zhongyang Wang, Shrayesh N. Patel, Paul F. Nealey* and Juan J. de Pablo*, ","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":51,"journal":{"name":"Macromolecules","volume":"58 12","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":5.1,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.macromol.5c00934","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144429247","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
IF 5.1 1区 化学
Macromolecules Pub Date : 2025-06-24
Kayla P. Barker, Jacob Horne, Junzhe Lou, Yan Xia* and Jian Qin*, 
{"title":"","authors":"Kayla P. Barker, Jacob Horne, Junzhe Lou, Yan Xia* and Jian Qin*, ","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":51,"journal":{"name":"Macromolecules","volume":"58 12","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":5.1,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.macromol.5c00421","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144429209","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
IF 5.1 1区 化学
Macromolecules Pub Date : 2025-06-24
Wachara Benchaphanthawee, Yu-Yu Jen, Zhe-Wei Yang and Chi-How Peng*, 
{"title":"","authors":"Wachara Benchaphanthawee, Yu-Yu Jen, Zhe-Wei Yang and Chi-How Peng*, ","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":51,"journal":{"name":"Macromolecules","volume":"58 12","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":5.1,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.macromol.5c00442","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144429210","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
IF 5.1 1区 化学
Macromolecules Pub Date : 2025-06-24
{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":51,"journal":{"name":"Macromolecules","volume":"58 12","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":5.1,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/mav058i012_1950694","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144429213","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
IF 5.1 1区 化学
Macromolecules Pub Date : 2025-06-24
Yongjie Li, Huan Hu, Jingyuan Zhou, Ning He, Qinyao Zhuang, Xin Cheng, Mingzhi Chen, Zhimin Ma, Wei Wu* and Zhiyong Ma*, 
{"title":"","authors":"Yongjie Li, Huan Hu, Jingyuan Zhou, Ning He, Qinyao Zhuang, Xin Cheng, Mingzhi Chen, Zhimin Ma, Wei Wu* and Zhiyong Ma*, ","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":51,"journal":{"name":"Macromolecules","volume":"58 12","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":5.1,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.macromol.5c00603","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144429214","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
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