辅助结晶研究进展及其在天然产物结构鉴定中的应用OA

Single-crystal X-ray diffraction is widely used to elucidate the structure of natural products.However,the cultivation of high-quality single crystals from natural products remains challenging.To overcome the limitations of traditional cultivation methods,new supramolecular-assisted crystallization strategies that utilize specific intermolecular interactions have been developed.These methodologies include the crystalline sponge method(which involves an orderly arrangement of organic molecules within preformed porous crystals)and the crystallization chaperone method(co-crystallization with organic molecules based on a non-intrinsic channel material).This review comprehensively summarized the recent advances in these assisted crystallization strategies.A systematic classification of crystalline sponges and crystallization chaperones was provided,along with a detailed discussion of their principles and applications in the structural identification of natural products,with the aim of facilitating more efficient utilization of these strategies to determine the structures of natural products.Additionally,crystal structure prediction can be employed to computationally simulate the optimal crystallization conditions and explore new approaches that integrate artificial intelligence and machine learning to regulate crystallization.