关键词: Hydrophilic coating Molecular docking Silk fibroin Sugar alcohol Water contact angle

Mesh : Fibroins / chemistry Hydrophobic and Hydrophilic Interactions Sugar Alcohols / chemistry Hydrogen Bonding Coated Materials, Biocompatible / chemistry X-Ray Diffraction Molecular Docking Simulation

来  源:   DOI:10.1038/s41598-024-64450-5   PDF(Pubmed)

Abstract:
This study explores the modification of silk fibroin films for hydrophilic coating applications using various sugar alcohols. Films, prepared via solvent casting, incorporated glycerol, sorbitol, and maltitol, revealing distinctive transparency and UV absorption characteristics based on sugar alcohol chemical structures. X-ray diffraction confirmed a silk I to silk II transition influenced by sugar alcohols. Glycerol proved most effective in enhancing the β-sheet structure. The study also elucidated a conformational shift towards a β-sheet structure induced by sugar alcohols. Silk fibroin-sugar alcohol blind docking and sugar alcohol-sugar alcohol blind docking investigations were conducted utilizing the HDOCK Server. The computer simulation unveiled the significance of size and hydrogen bonding characteristics inherent in sugar alcohols, emphasizing their pivotal role in influencing interactions within silk fibroin matrices. Hydrophilicity of ozonized silicone surfaces improved through successful coating with silk fibroin films, particularly glycerol-containing ones, resulting in reduced contact angles. Strong adhesion between silk fibroin films and ozonized silicone surfaces was evident, indicating robust hydrogen bonding interactions. This comprehensive research provides crucial insights into sugar alcohols\' potential to modify silk fibroin film crystalline structures, offering valuable guidance for optimizing their design and functionality, especially in silicone coating applications.
摘要:
这项研究探索了使用各种糖醇对丝素蛋白膜进行亲水性涂层应用的改性。电影,通过溶剂浇铸制备,掺入甘油,山梨醇,和麦芽糖醇,基于糖醇化学结构,揭示了独特的透明度和紫外线吸收特性。X射线衍射证实了受糖醇影响的丝I到丝II的转变。甘油被证明在增强β-折叠结构方面最有效。该研究还阐明了由糖醇诱导的向β-折叠结构的构象转变。利用HDOCK服务器进行丝素蛋白-糖醇盲对接和糖醇-糖醇盲对接研究。计算机模拟揭示了糖醇固有的大小和氢键特征的重要性,强调它们在影响丝素蛋白基质内相互作用中的关键作用。通过成功涂覆丝素蛋白膜,臭氧化有机硅表面的亲水性得到改善,特别是含甘油的,导致接触角降低。丝素蛋白膜和臭氧化有机硅表面之间的强粘附力很明显,表明强有力的氢键相互作用。这项全面的研究为糖醇修饰丝素蛋白膜晶体结构的潜力提供了重要的见解,为优化其设计和功能提供有价值的指导,特别是在有机硅涂料的应用。
公众号