Recently some naphthoquinone derivatives have been found with anticancer or other therapeutic
properties, but also have some negative side effects. Numerous research projects have been conducted to
investigate their properties and therapeutic mechanisms. With Terahertz Time-Domain Spectroscopy
(THz-TDS), we have successfully obtained THz spectra of 1,4-naphthoquinone and its four derivatives in a
series of naphthazarin - juglone - 1,4-naphthoquinone - menadione - plumbagin, in the range between 0.2 and
2.4~2.8 THz. Although these molecules are almost identical to each other, they have very distinctive THz
spectra so that they can be identified much more easily than using conventional spectroscopy. We have
comparatively analyzed their THz spectra, and found some possible correlations between THz spectra and
molecular structures. These THz spectra cannot only be used as spectral fingerprint, but also provide us their
conformational properties that can be used in study of their interaction with biomolecules to reveal their
pharmaceutical mechanisms.
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