Hemoglobin (Hb) is the most abundant protein in the blood. It is vital for the living as oxygen carriers. Some of the very pure Hb-containing biological fluids are currently under clinical trial. However, the removal and purification of Hb from the blood are quite difficult, especially when it is at a low concentration level. In this study, the molecularly imprinted polymeric nanoparticles (MIPNs) were prepared using N-methacryloyl-histidine methyl ester (MAH) by mini-emulsion polymerization technique for specific binding of human hemoglobin (HHb). MIPNs in monosize form have a size of 152 ± 4 nm. They also have a high binding capacity (32.33 mg/g) of HHb. MIPNs retain 84% of the re-binding capacity for HHb after 10 cycles. The nanoparticles have 16 and 5 times higher binding capacity of HHb, respectively, in the presence of bovine serum albumin and lysozyme. Thanks to their high binding capacity and selectivity, MIPNs will allow them to be detected selectively for different target molecules. According to molecular docking, the main binding forces depend on hydrogen bonds and Van der Waals forces in the interaction within 5 Å around MAH molecule are observed through the amino acid residues of HHb at β1 and β2 subunit. The statistical mechanical analysis of docking showed that the free energy (ΔG) is −2732.14 kcal/mol, which indicates the interaction between MAH and HHb is energetically favorable at 298.15°K.

中文翻译：

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使用非共价相互作用识别具有大分子印迹聚合物纳米粒子的人血红蛋白

血红蛋白 (Hb) 是血液中含量最多的蛋白质。它作为氧气载体对生命至关重要。一些非常纯的含 Hb 的生物体液目前正在进行临床试验。然而，从血液中去除和纯化 Hb 是相当困难的，尤其是当它处于低浓度水平时。在这项研究中，分子印迹聚合物纳米粒子 (MIPNs) 使用N-甲基丙烯酰组氨酸甲酯（MAH）通过微乳液聚合技术特异性结合人血红蛋白（HHb）。单尺寸形式的 MIPN 的尺寸为 152 ± 4 nm。它们还具有高 HHb 结合能力 (32.33 mg/g)。MIPN 在 10 个循环后保留了 84% 的 HHb 重新结合能力。在存在牛血清白蛋白和溶菌酶的情况下，纳米颗粒对 HHb 的结合能力分别高出 16 倍和 5 倍。由于它们的高结合能力和选择性，MIPN 将允许它们针对不同的目标分子进行选择性检测。根据分子对接，主要结合力取决于氢键，通过HHb在β1和β2亚基处的氨基酸残基观察到MAH分子周围5 Å内相互作用中的范德华力。G ) 为 -2732.14 kcal/mol，这表明 MAH 和 HHb 之间的相互作用在 298.15°K 时在能量上是有利的。