Naphthoquinone And Its Derivatives, Infrared And Thz Spectroscopy Study

Three naphthoquinone derivatives (plumbagin, juglone, and menadione) have been reported with antibacterial, antifungal and antiviral properties , could potentially be used as an anticancer agents, because they can provoke cell apoptosis. In order to understand their physical chemical properties, this paper investigated several kinds of napthoquinones utilizing the facilities provided by THz spectrum and Imaging laboratory of Capital Normal University and Fourier Transform Infrared laboratory of Capital Normal University . We used both Fourier Transform Infrared Spectroscopy (FTIR) and Terahertz Time-Domain Spectroscopy (THz-TDS) to study their absorption spectra in wavenumber ranges of 6.6 cm-1 ~ 92.4 cm-1 and 400 cm-1~4000 cm-1, we also analyzed their characteristic absorption peaks and assigned some main spectra peaks in IR and THz range to their molecular structures. Obviously, these results will be very useful in future studies of their pharmaceutical mechanisms;At the same time, theoretical calculation of napthoquinones based on density functional theory (DFT) according to the literature, the IR and THz spectra of napthoquinones were obtained by calculation. The credible simulation results were compared with experimental results, the fingerprint absorption spectra of short-chain peptides were theoretically explained by our understanding.This article research results, not only has filled the biological naphthaquinone fingerprint spectrum in the THz wave band blank, but for use Fourier Transform Infrared Spectroscopy (FTIR) and Terahertz Time-Domain Spectroscopy (THz-TDS) to study the biological activity of this kind of materials and the development medicine mechanism research, which provides the essential data and the new method. moreover regarding studies other type of napthoquinones, have profits from the significance by using the THz time domain Spectroscopy certainly.