posted on 2022-12-23, 18:33authored byXiongtao Ji, Jingkang Wang, Ting Wang, Na Wang, Xin Li, Yunhai Huang, Xin Huang, Hongxun Hao
In recent years, low-molecular-weight assemblies have
emerged as
remarkable building blocks of supramolecular structures. To fully
understand the molecular assembly mechanism of small organic molecules,
cefradine was used as a model compound to investigate the supramolecular
self-assembly process and its results using microscopy, vibrational
and circular dichroism spectroscopies, conformation and dynamics studies,
nuclear magnetic resonance, and X-ray crystallography. It was found
that cefradine would undergo the spontaneous transition to either
gels or crystals in different solvents, and then, crystals would also
appear after gelation. Combined with the simulation results, the direction
and mechanism of cefradine molecule self-assembly were revealed and
discussed.