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    • 摘要: 不同手性的生物分子具有不同甚至相反的生物和药理活性。由于很多生物大分子的振动和转动能级分布在太赫兹波段,使得太赫兹波谱技术成为生物大分子识别的有效手段,但是太赫兹时域光谱系统都采用线偏振光源,无法对手性分子进行有效识别。我们在理论上利用线偏振的琼斯矩阵模型合成圆偏振下的琼斯矩阵,根据圆偏光的透射率差异性进一步计算样品的透射圆二色光谱,为表征不同手性分子提供了一种有效方法。基于透射式太赫兹时域光谱系统,对(R)-(-)-Ibuprofen和(S)-(+)-Ibuprofen的光谱进行测试,计算了(R)-(-)-Ibuprofen和(S)-(+)-Ibuprofen的线偏透过率和圆偏透过率;并计算出透射性圆二色光谱,两种手性物质的圆二色性值达到0.015,有效地实现了对(R)-(-)-Ibuprofen和(S)-(+)-Ibuprofen的识别效果。这一方法为利用太赫兹光谱技术检测和识别手性分子提供了参考。

       

      Abstract: Biomolecules with different chirality have different or even opposite biological and pharmacological activities. Since vibration and rotation energy levels of many biomolecules lie within the terahertz range, terahertz spectroscopy has emerged as a useful tool for biomolecular identification. Nevertheless, linearly polarized light sources are used in terahertz time-domain spectroscopy, which is ineffective for identifying chiral compounds. We theoretically constructed a circularly polarized Jones matrix using a linearly polarized Jones matrix model. We also calculated the transmission circular dichroism spectrum of the sample based on the difference in transmittance of circularly polarized light, offering a useful technique for describing various chiral compounds. The spectra of (R)-(-)-Ibuprofen and (S)-(+)-Ibuprofen were investigated using a transmission terahertz time-domain spectroscopy system, and the linear polarization biased transmittance and circular polarization transmittance of (R)-(-)-Ibuprofen and (S)-(+)-Ibuprofen were computed. Additionally, the transmittance circular dichroic spectra were calculated, and the two chiral compounds' circular dichroic values reached 0.015, successfully achieving the (R)-(-)-Ibuprofen and (S)-(+)-Ibuprofen recognition effect. This technique serves as a guide for chiral molecule identification and detection using terahertz spectroscopy technology.