Abstract

The aggregation of molecules plays an important role in determining their function. Electron microscopy and other methods can only characterize the variation of microstructure, but are not capable of monitoring conformational changes. These techniques are also complicated, expensive and time-consuming. Here, we demonstrate a simple method to monitor in-situ and in real-time the conformational change of (R)-1,1′-binaphthyl-based polymers during the aggregation process using circular dichroism. Based on results from molecular dynamics simulations and experimental circular dichroism measurements, polymers with “open” binaphthyl rings are found to show stronger aggregation-annihilated circular dichroism effects, with more negative torsion angles between the two naphthalene rings. In contrast, the polymers with “locked” rings show a more restrained aggregation-annihilated circular dichroism effect, with only a slight change of torsion angle. This work provides an approach to monitor molecular aggregation in a simple, accurate, and efficient way.

Highlights

  • IntroductionElectron microscopy and other methods can only characterize the variation of microstructure, but are not capable of monitoring conformational changes

  • The aggregation of molecules plays an important role in determining their function

  • Further study has revealed that the restriction of intramolecular motion (RIM) is the cause of the aggregation-induced emission (AIE) effect

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Summary

Introduction

Electron microscopy and other methods can only characterize the variation of microstructure, but are not capable of monitoring conformational changes. These techniques are complicated, expensive and time-consuming. We demonstrate a simple method to monitor in-situ and in real-time the conformational change of (R)-1,1′-binaphthyl-based polymers during the aggregation process using circular dichroism. How to monitor the conformational changes during protein aggregation is significant to clarify the working mechanism of biological processes. These processes have been studied by techniques such as electron microscopy and NMR spectroscopy. The relevant molecular dynamics simulation proves that this method is reliable

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