Chromonic phase behaviour based on planar discs functionalized with EO (ethylenoxy) groups

基于 EO（乙烯氧基）基团功能化平面圆盘的发色相行为

• 批准号: EP/J004413/1
• 负责人: Mark Wilson
• 金额: $ 30.46万
• 依托单位: Durham University
• 依托单位国家: 英国
• 项目类别: Research Grant
• 财政年份: 2012
• 资助国家: 英国
• 起止时间: 2012 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=EP%2FJ004413%2F1
• 关键词: Chromonic; phase; behaviour; based; planar

Chromonics are a fascinating class of lyotropic liquid crystals. They are usually formed in water from plate-like molecules, which self-assemble into aggregate stacks (rods or layers), which in turn self-organise to form liquid crystals. Chromonics are very poorly understood. Researchers are just beginning to understand how self-assembly is influenced by the interactions between molecules and how the process can be controlled by use of additives (such as small molecules or salt). Moreover, many known chromonic materials are based on industrial dyes, which are very difficult to purify; and this hampered some of the early investigations into phases and phase behaviour. Despite these difficulties it is beginning to be recognised that chromonic systems are far more common than once thought. Formation of stacked aggregates in dilute solution and/or chromonic mesophases at higher concentrations, have been widely reported in aqueous dispersions of many formulated products such as pharmaceuticals and dyes used in inkjet printing. Recently, there has been greatly enhanced interest in chromonics materials as functional materials for fabricating highly ordered thin films, as biosensors, and chromonic stacks have also been used to aid in the controllable self-assembly of gold nanorods. This proposal seeks to develop a novel class of chromonic molecules: nonionic chromonics based on ethylenoxy groups. Here, we will design new chromonic phases demonstrating novel structures (such as hollow water-filled columns and layered brick-like phases), which can be used for future applications. We will also investigate and control the self-assembly process, in a class of materials that can be purified, that are not influenced as strongly by salt (compared to most industrial dyes), where structural changes can be easily engineered by minor changes to a synthetic scheme, and where addition of other solvents can lead to major changes in both self assembly and phase behaviour. We will also use state-of-the-art modelling and theory, which has recently been shown to provide new insights into self-assembly in chromonics, to help design new materials. Here, the use of quantitative and semi-quantitative molecular modelling provides for the possibility of "molecular engineering" new phases.To accomplish our goals for this project we will bring together synthetic organic chemistry to design and make new materials; state-of-the-art physical organic measurements to characterise both the nature of self-assembly and the novel chromonic phases formed; and state-of-the-art modelling/theory to predict, explain and help control the chromonic aggregation.

发色学是一类令人着迷的溶致液晶。它们通常由片状分子在水中形成，这些分子自组装成聚集体堆叠（棒或层），而聚集体堆叠又自组织形成液晶。人们对时色学知之甚少。研究人员刚刚开始了解分子之间的相互作用如何影响自组装，以及如何通过使用添加剂（例如小分子或盐）来控制该过程。此外，许多已知的发色材料都是基于工业染料，其纯化非常困难；这阻碍了对相和相行为的一些早期研究。尽管存在这些困难，人们开始认识到发色系统比以前想象的要普遍得多。在稀释溶液和/或较高浓度的发色中间相中形成堆叠聚集体，已在许多配制产品（例如喷墨印刷中使用的药物和染料）的水分散体中得到广泛报道。最近，人们对发色材料作为用于制造高度有序薄膜、生物传感器的功能材料的兴趣大大增强，并且发色叠层也已被用来帮助金纳米棒的可控自组装。该提案旨在开发一类新型发色分子：基于乙烯氧基的非离子发色分子。在这里，我们将设计新的发色相，展示新颖的结构（例如空心充水柱和层状砖状相），可用于未来的应用。我们还将研究和控制一类可纯化材料的自组装过程，这些材料不会受到盐的强烈影响（与大多数工业染料相比），其中结构变化可以通过对合成方案，并且添加其他溶剂可能导致自组装和相行为发生重大变化。我们还将使用最先进的建模和理论来帮助设计新材料，最近的建模和理论已被证明可以为发色学中的自组装提供新的见解。在这里，定量和半定量分子建模的使用为“分子工程”新阶段提供了可能性。为了实现该项目的目标，我们将结合有机合成化学来设计和制造新材料；最先进的物理有机测量来表征自组装的性质和形成的新型发色相；以及最先进的模型/理论来预测、解释和帮助控制发色聚合。

项目成果

Self-assembly and mesophase formation in a non-ionic chromonic liquid crystal system: insights from dissipative particle dynamics simulations.

非离子发色液晶系统中的自组装和中间相形成：耗散粒子动力学模拟的见解。

• DOI: http://dx.10.1039/c4cp03092c
• 发表时间: 2014
• 期刊: PCCP
• 作者: Walker M

Molecular Simulation Studies of Cyanine-Based Chromonic Mesogens: Spontaneous Symmetry Breaking to Form Chiral Aggregates and the Formation of a Novel Lamellar Structure

花青基有色介晶的分子模拟研究：自发对称性破缺形成手性聚集体以及新型层状结构的形成

• DOI: http://dx.10.1002/adts.201800088
• 发表时间: 2018
• 期刊: Advanced Theory and Simulations
• 影响因子: 3.3
• 作者: Thind R

Molecular Simulation Approaches to the Study of Thermotropic and Lyotropic Liquid Crystals

研究热致液晶和溶致液晶的分子模拟方法

• DOI: http://dx.10.3390/cryst12050685
• 发表时间: 2022
• 期刊: Crystals
• 影响因子: 2.7
• 作者: Wilson M

Formation of complex self-assembled aggregates in non-ionic chromonics: dimer and trimer columns, layer structures and spontaneous chirality.

非离子发色中复杂自组装聚集体的形成：二聚体和三聚体柱、层结构和自发手性。

• DOI: http://dx.10.1039/c6sm01669c
• 发表时间: 2016
• 期刊: Soft matter
• 影响因子: 3.4
• 作者: Walker M

Development of new coarse-grained models for chromonic liquid crystals: insights from top-down approaches

开发有色液晶的新粗粒度模型：自上而下方法的见解

• DOI: http://dx.10.1080/02678292.2017.1342005
• 发表时间: 2017
• 期刊: Liquid Crystals
• 影响因子: 2.2
• 作者: Potter T