Phase-transition-like behaviors of sequence-selective dynamic bonds

Area of Science:

• Supramolecular chemistry
• Chemical thermodynamics
• Materials science

Background:

• Sequence-selective dynamic bonds (SSDBs) are vital in biological and synthetic systems for programming self-assembly.
• Understanding the collective behavior of multiple SSDBs is challenging due to experimental limitations.

Purpose of the Study:

• To analyze the thermodynamic properties and kinetic pathways of SSDB hybridization.
• To investigate the collective behavior emerging from multiple SSDBs in programmable self-assembly.

Main Methods:

• Computational simulations combined with analytical theories.
• Analysis of thermodynamic properties and kinetic pathways of SSDB hybridization.
• Focus on sequence-selective interactions with rotational freedom.

Main Results:

• SSDB hybridization can exhibit phase-transition-like behavior, influencing state stability and transitions.
• A metastable intermediate is identified, crucial for entropy-facilitated hybridization.
• Stepwise kinetics and anomalous diffusion of SSDB-functionalized particles are observed.

Conclusions:

• Collective effects and phase-transition-like behavior are key to large-scale ordering and dynamics in systems with multiple SSDBs.
• The unique thermodynamics of SSDBs offer novel mechanisms for controlling self-assembly and particle dynamics.