Pharmacy College, Henan University of Chinese Medicine, Zhengzhou 450046, China.
Academy of Chinese Medicine Sciences, Henan University of Chinese Medicine, Zhengzhou 450046, China.
Molecules. 2022 Nov 18;27(22):7998. doi: 10.3390/molecules27227998.
A series of co-crystals of ascorbic acid were prepared with equimolar amounts of co-crystal formers (CCFs), including isonicotinic acid, nicotinic acid, 3,4-dihydroxybenzoic acid, 2,5-dihydroxybenzoic acid and m-hydroxybenzoic acid, by slow solvent evaporation and solvent-assisted grinding. The co-crystals were characterized by single-crystal X-ray diffraction spectroscopy, powder X-ray diffraction, IR spectroscopy, differential scanning calorimetry and thermogravimetric analysis. Molecular dynamics (MD) simulations further validated the interaction energy and the possible intermolecular hydrogen bonds among VC and CCFs. The co-crystals showed improved stability when exposed to different wavelengths of light, pH and temperatures compared to the free analogue, especially at higher pH (9) and lower temperature (4 °C).
通过缓慢的溶剂蒸发和溶剂辅助研磨，用等摩尔量的共晶形成剂（CCF），包括异烟酸、烟酸、3,4-二羟基苯甲酸、2,5-二羟基苯甲酸和间羟基苯甲酸，制备了一系列抗坏血酸共晶。通过单晶 X 射线衍射光谱、粉末 X 射线衍射、红外光谱、差示扫描量热法和热重分析对共晶进行了表征。分子动力学（MD）模拟进一步验证了 VC 和 CCF 之间的相互作用能和可能的分子间氢键。与游离类似物相比，共晶在暴露于不同波长的光、pH 值和温度时表现出更好的稳定性，尤其是在较高的 pH 值（约 9）和较低的温度（约 4°C）下。
