Structure Analysis

Characterization of the Structures of Self-Assembled Molecular Architectures

To understand the macroscopic properties of foldectures, it is essential to characterize the solution-state and solid-state conformations of a foldamer and their packing mode at atomic level. This led us to use multiple spectroscopic techniques, such as 2D NMR, CD, X-ray, and etc. For example, we routinely perform the conformational analysis of foldamers in solution by 2D NMR spectroscopic techniques (e.g. NOESY and ROESY) and CD spectroscopy. Single crystal X-ray diffraction (SCXRD) analysis reveals the detailed information of secondary structure of foldamer (intra- or inter-molecular interactions) in solid state. Based on these molecular information of foldamers, we analyze the powder X-ray diffraction (PXRD) patterns of the foldectures (the 3D self-assembled foldamers) to elucidate the molecular packing structures at atomic resolution. Additional X-ray/electron beam scattering techniques (e.g. SAED and GIWAXS) and high resolution electron microscopy are often attempted to find out the intermolecular interactions unambiguously in foldectures.