阐明动力学控制分子组装过程的动力学网络模型。

IF 3.5 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
Lingyu Zhang, Yijia Wang, Xiaoyan Zheng
{"title":"阐明动力学控制分子组装过程的动力学网络模型。","authors":"Lingyu Zhang, Yijia Wang, Xiaoyan Zheng","doi":"10.1002/asia.202500283","DOIUrl":null,"url":null,"abstract":"<p><p>Organic molecular assembly is a fundamental protocol for constructing organic functional materials at time and length scales beyond individual molecules. Following a bottom-up strategy, organic nanostructures with diverse morphologies and specific functionalities could be obtained. However, the flexible conformations and the cooperative interplay of different noncovalent interactions, lead to countless kinetically metastable states and make the precise prediction of assembled nanostructures extremely challenging. In this review, the theoretical backgrounds and a general theoretical protocol of kinetic network models (KNMs) are first introduced. Then, the molecular assembly mechanism and its regulation are presented for various molecular assembly systems ranging from small molecules (e.g., surfactants, lipids, metal complexes, and ice nuclei) to block copolymers and patchy particles, and further to peptides. For each assembly system, the distribution of metastable structures and the kinetically assembled pathways of the assembly process, as well as the relationship between kinetic pathways preferences and the finally assembled nanostructures are presented. Therefore, it is crucial for a deeper understanding of assembly mechanism and it paves an effective way for the precise control of assembled nanostructures kinetically, which benefits the fabrication of advanced organic functional materials.</p>","PeriodicalId":145,"journal":{"name":"Chemistry - An Asian Journal","volume":" ","pages":"e00283"},"PeriodicalIF":3.5000,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Kinetic Network Models to Elucidate the Kinetic-Controlled Molecular Assembly Processes.\",\"authors\":\"Lingyu Zhang, Yijia Wang, Xiaoyan Zheng\",\"doi\":\"10.1002/asia.202500283\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>Organic molecular assembly is a fundamental protocol for constructing organic functional materials at time and length scales beyond individual molecules. Following a bottom-up strategy, organic nanostructures with diverse morphologies and specific functionalities could be obtained. However, the flexible conformations and the cooperative interplay of different noncovalent interactions, lead to countless kinetically metastable states and make the precise prediction of assembled nanostructures extremely challenging. In this review, the theoretical backgrounds and a general theoretical protocol of kinetic network models (KNMs) are first introduced. Then, the molecular assembly mechanism and its regulation are presented for various molecular assembly systems ranging from small molecules (e.g., surfactants, lipids, metal complexes, and ice nuclei) to block copolymers and patchy particles, and further to peptides. For each assembly system, the distribution of metastable structures and the kinetically assembled pathways of the assembly process, as well as the relationship between kinetic pathways preferences and the finally assembled nanostructures are presented. Therefore, it is crucial for a deeper understanding of assembly mechanism and it paves an effective way for the precise control of assembled nanostructures kinetically, which benefits the fabrication of advanced organic functional materials.</p>\",\"PeriodicalId\":145,\"journal\":{\"name\":\"Chemistry - An Asian Journal\",\"volume\":\" \",\"pages\":\"e00283\"},\"PeriodicalIF\":3.5000,\"publicationDate\":\"2025-06-06\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Chemistry - An Asian Journal\",\"FirstCategoryId\":\"1\",\"ListUrlMain\":\"https://doi.org/10.1002/asia.202500283\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemistry - An Asian Journal","FirstCategoryId":"1","ListUrlMain":"https://doi.org/10.1002/asia.202500283","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0

摘要

有机分子组装是在时间和长度尺度上超越单个分子构建有机功能材料的基本协议。采用自下而上的策略,可以获得具有不同形态和特定功能的有机纳米结构。然而,柔性构象和不同非共价相互作用的协同相互作用,导致无数的动力学亚稳态,使组装纳米结构的精确预测极具挑战性。本文首先介绍了动力学网络模型的理论背景和一般理论协议。然后,介绍了各种分子组装系统的分子组装机制及其调控,从小分子(如表面活性剂、脂质、金属配合物和冰核)到嵌段共聚物和斑块颗粒,再到肽。对每一种组装体系,给出了亚稳结构的分布、组装过程的动力学组装路径以及动力学路径偏好与最终组装的纳米结构之间的关系。因此,深入了解组装机理是至关重要的,它为组装纳米结构的精确动力学控制铺平了有效途径,有利于先进有机功能材料的制造。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Kinetic Network Models to Elucidate the Kinetic-Controlled Molecular Assembly Processes.

Organic molecular assembly is a fundamental protocol for constructing organic functional materials at time and length scales beyond individual molecules. Following a bottom-up strategy, organic nanostructures with diverse morphologies and specific functionalities could be obtained. However, the flexible conformations and the cooperative interplay of different noncovalent interactions, lead to countless kinetically metastable states and make the precise prediction of assembled nanostructures extremely challenging. In this review, the theoretical backgrounds and a general theoretical protocol of kinetic network models (KNMs) are first introduced. Then, the molecular assembly mechanism and its regulation are presented for various molecular assembly systems ranging from small molecules (e.g., surfactants, lipids, metal complexes, and ice nuclei) to block copolymers and patchy particles, and further to peptides. For each assembly system, the distribution of metastable structures and the kinetically assembled pathways of the assembly process, as well as the relationship between kinetic pathways preferences and the finally assembled nanostructures are presented. Therefore, it is crucial for a deeper understanding of assembly mechanism and it paves an effective way for the precise control of assembled nanostructures kinetically, which benefits the fabrication of advanced organic functional materials.

求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
Chemistry - An Asian Journal
Chemistry - An Asian Journal 化学-化学综合
CiteScore
7.00
自引率
2.40%
发文量
535
审稿时长
1.3 months
期刊介绍: Chemistry—An Asian Journal is an international high-impact journal for chemistry in its broadest sense. The journal covers all aspects of chemistry from biochemistry through organic and inorganic chemistry to physical chemistry, including interdisciplinary topics. Chemistry—An Asian Journal publishes Full Papers, Communications, and Focus Reviews. A professional editorial team headed by Dr. Theresa Kueckmann and an Editorial Board (headed by Professor Susumu Kitagawa) ensure the highest quality of the peer-review process, the contents and the production of the journal. Chemistry—An Asian Journal is published on behalf of the Asian Chemical Editorial Society (ACES), an association of numerous Asian chemical societies, and supported by the Gesellschaft Deutscher Chemiker (GDCh, German Chemical Society), ChemPubSoc Europe, and the Federation of Asian Chemical Societies (FACS).
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术官方微信