Herein, we have explored the conformational alterations of hemoglobin (Hb) in presence of a cleavable gemini surfactant (C16-C4O2-C16). The concerned surfactant was found to induce significant structural perturbations in Hb. UV–vis spectroscopy, steady-state/time-resolved fluorescence, and other utilized techniques have authenticated the complexation of Hb with the gemini surfactant. CD has demonstrated the alterations in secondary structural elements (α-helicity, β-sheet, β-turn, and random coil) of Hb upon C16-C4O2-C16 addition. Atomic force microscopy (AFM) has revealed the existence of unique star-shaped gemini surfactant microstructures aligned to Hb in a necklace pattern. The ¹H NMR peak broadening and lower delta values hint at the binding of the concerned gemini surfactant to Hb. Molecular docking and DFT calculations have further substantiated the Hb-gemini complex formation and the involvement of electrostatic/hydrophobic forces therein. In future, these results might pave-the-way to construct self-assembled, sustainable, and green surfactant-protein mixtures for their end-use in industrial, engineering, biomedical, drug delivery, gene transfection, and other relevant excipient formulations.

在本文中，我们探索了在可裂解的双子表面活性剂（C16-C4O2-C16）存在下血红蛋白（Hb）的构象变化。发现所关注的表面活性剂在Hb中引起明显的结构扰动。紫外可见光谱法，稳态/时间分辨荧光和其他利用的技术已经证实了血红蛋白与双子表面活性剂的络合。CD已证明添加C16-C4O2-C16后Hb的二级结构元素（α-螺旋度，β-折叠，β-转角和无规卷曲）的变化。原子力显微镜（AFM）揭示了独特的星形双子表面活性剂微观结构的存在，该微观结构与Hb呈项链状排列。在¹1 H NMR峰加宽和较低的δ值暗示所关注的双子表面活性剂与Hb的结合。分子对接和DFT计算进一步证实了Hb-双子配合物的形成以及其中的静电/疏水力的参与。将来，这些结果可能为构建自组装，可持续和绿色表面活性剂-蛋白质混合物铺平道路，这些混合物可最终用于工业，工程，生物医学，药物递送，基因转染和其他相关赋形剂配方。