核酸碱基氧化损伤的高级拉曼光谱检测：超低浓度鸟苷的化学变化和分子间相互作用
Advanced Raman spectroscopy detection of oxidative damage in nucleic acid bases: probing chemical changes and intermolecular interactions in guanosine at ultralow concentration
摘要：
DNA/RNA合成前体特别容易受到氧化应激后发生的活性氧引起的损伤。鸟苷三磷酸是普遍存在的氧化核位点，其可在复制过程中被错误掺入，导致突变和细胞死亡。在这里，我们提出了一种基于显微拉曼光谱并结合从头算计算的新方法，用于识别、检测和定量低浓度的氧化核苷酸。我们还表明，太赫兹光谱范围内的拉曼特征（< 100 cm $^{-1}$）包含有关四分体中鸟嘌呤分子间组装的信息，这可以进一步提高氧化损伤检测限。最后，我们提供的证据表明，类似的分析可以进行在非常小的体积在非常低的浓度，通过利用表面增强拉曼散射结合适当设计的超疏水基板的高灵敏度的样品。这些结果为采用这种先进的光谱方法定量检测细胞中核苷酸的氧化损伤铺平了道路。
英文摘要：
DNA/RNA synthesis precursors are especially vulnerable to damage induced by reactive oxygen species occurring following oxidative stress. Guanosine triphosphates are the prevalent oxidized nucleosites, which can be misincorporated during replication, leading to mutations and cell death. Here, we present a novel method based on micro-Raman spectroscopy, combined with ab initio calculations, for the identification, detection, and quantification of low concentrations of oxidized nucleotides. We also show that the Raman signature in the terahertz spectral range (< 100 cm$^{-1}$) contains information on the intermolecular assembly of guanine in tetrads, which allows to further boost the oxidative damage detection limit. Eventually, we provide evidence that similar analyses can be carried out on samples in very small volumes at very low concentrations by exploiting the high sensitivity of Surface Enhanced Raman Scattering combined with properly designed superhydrophobic substrates. These results pave the way for employing such advanced spectroscopic methods for quantitatively sensing the oxidative damage of nucleotides in the cell.
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