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Broadband Terahertz Spectroscopy and Weak Interactions of Adenosine with Vibrational Mode Analysis

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Abstract

Adenosine, as a basic nucleoside element and neurotransmitter, plays a variety of roles in regulating human biological functions. Its conformational state and preference are significant for the biological activities. In this work, terahertz (THz) fingerprint spectrum of adenosine is obtained by a broadband air-plasma THz time-domain spectroscopy system in the range of 0.5 ~ 13 THz. The density function theory (DFT) calculation is performed to analyze the vibrational properties of adenosine. The intra- and intermolecular weak interactions related to the vibrational modes are revealed and visualized by reduced density gradient (RDG). The results show that the different absorption peaks in the THz spectrum correspond to molecular specific vibration. The intra- and intermolecular vibrations of adenosine exhibit tight coupling. Hydrogen bonds make important contributions to the vibrations in the THz band. The deformation of the purine ring and different vibrations of the ribose group directly influence the structural changes of the nucleoside and intermolecular recognitions. This research will help to understand the conformational preferences of adenosine and the resonant response to THz electromagnetic waves.

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Acknowledgements

The authors thank the staff of beamlines BL06B and BL17B at Shanghai Synchrotron Radiation Facilities (SSRF) for providing the beam time.

Funding

This work was supported by the National Natural Science Foundation of China (Grant No. 62075225), the Joint Key Projects of National Natural Science Foundation of China (U2032206), and the National Defense Science and Technology Innovation Special Zone.

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Authors and Affiliations

  1. School of Chemical Engineering, East China University of Science and Technology, Shanghai, 200237, China

    Jing Zhang & Shaoping Li

  2. Shanghai Advanced Research Institute, Chinese Academy of Sciences, Shanghai, 201210, China

    Jing Zhang, Zhongjie Zhu, Yu Wu, Te Ji, Jie Wang, Huachun Zhu, Weiwei Peng, Min Chen & Hongwei Zhao

  3. Key Laboratory of Interfacial Physics and Technology, Shanghai Institute of Applied Physics, Chinese Academy of Science, Shanghai, 201800, China

    Jing Zhang, Yu Wu & Hongwei Zhao

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  1. Jing Zhang
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Contributions

H. Z. initiated the research. H. Z. and Z. Z. designed research. J. Z. prepared the samples and performed the XRD, SEM, and FTIR experiments; J. Z., Z. Z., and Y. W. performed the theoretical calculations and analysis. T. J., J. W., H. Z., W. P., and M. C. technically assisted the FTIR measurement; J. Z. and Z. Z. wrote the original manuscript; H. Z., Z. Z., and S. L. revised the manuscript. All authors contributed to the final version of the manuscript.

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Correspondence to Zhongjie Zhu or Hongwei Zhao.

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Zhang, J., Zhu, Z., Wu, Y. et al. Broadband Terahertz Spectroscopy and Weak Interactions of Adenosine with Vibrational Mode Analysis. J Infrared Milli Terahz Waves 44, 814–829 (2023). https://doi.org/10.1007/s10762-023-00942-1

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