Shihua Ma

THz spectra of cortisone and the related medicine

THz-TDS are used to study four kinds of drug: cortisone, hydrocortisone, prednisone and prednisolone. The THz spectra of them are obtained and analyzed from 0.2 - 1.6 THz. The experimental results shows the four samples have the different THz spectra. Cortisone has a peak at 1.5 THz and a broad absorption peak at 0.96 THz, while hydrocortisone has a weak absorption peak that lies at 1.27 THz. At the same time the prednisone has the stronger absorption peaks than the others, and its two peaks shows at 1.24 THz and 1.5 THz. Prednisolone has a weak broad peak at 1.43 THz. The results of the theoretical calculation were performed using Gaussian 03 software with Density Functional Theory at the basis set of 6-31+G (d, p). The theoretical vibrational frequencies are compared with the experimental results, and the deviations are discussed. The THz spectra of the medicine show THz technique may be help to distinguish some different chemical bond and functional group.

Spectroscopy of several drugs in the terahertz region

We use terahertz time-domain spectroscopy (THz-TDS) to measure the absorption spectra of six drugs, atenolol, furosemide, tropicamide, lobeline hydrochloride, propranolol hydrochloride, and promethazine hydrochloride, in the frequency range of 0.3 THz to 2.0 THz. Furosemide, tropicamide, and promethazine hydrochloride show distinct absorption features, whereas atenolol, lobeline hydrochloride, and propranolol hydrochloride exhibit no obvious absorption peaks. The use of THz-TDS makes it possible to rapidly distinguish the drugs with characteristic absorption peaks. Our results demonstrate that THz-TDS is highly sensitive to the structure and spatial arrangement of molecules. As a result, THz-TDS will have potential exploitation in pharmaceutical fields.

Terahertz time-domain spectroscopy study of solid state reaction between α-naphthol and p-benzoquinone

Terahertz time-domain spectroscopy (THz-TDS) was utilized to study solid state reaction progress between α-naphthol(NP) and p-benzoquinone(BQ). Density functional theory (DFT) was employed to optimize the structure of the complex. The result shows that the reaction product is associated by hydrogen bonding between one of the oxygen atoms of BQ and one hydrogen atom of the hydroxyl group of NP; and FTIR spectra is presented as supporting evidence. Our work demonstrated that THz-TDS was a promising and complementary method in analyzing solid-state reaction between NP and BQ.

The THz fingerprint spectra of the active ingredients of a TCM medicine: Herba Ephedrae

In this paper, THz-TDS has been used to measure the spectral properties of two active ingredients of Herba Ephedrae: ephedrine and pseudoephedrine, which exist in hydrochloride salts. The THz spectra of the sole-ingredient, twoingredient and three-ingredient compounds are studied. We obtained the finger-print spectra of the net active ingredients of the medicine, and also measured the mixtures of by two or three active ingredients at the different ratios. At the same time, theoretical analysis and quantitative analysis is applied to foretell the different THz spectra, identify the ingredients and infer the contents of principal components in samples. The THz spectroscopy is a potential and promising technique in evaluating and inspecting the quality of the drugs in the TCM field.

Study on THz spectra of the active ingredients in the TCM

Terahertz spectroscopy has tremendous potential for applications to evaluate the quality of the drugs including the TCM. In this paper, the Terahertz Time-Domain Spectroscopy investigated two active ingredients: Andrographolide and Dehydroandrographoline, isolated from Andrographis paniculata (Burm. f.) Nees. We also measured the mixtures of two active ingredients at the different ratio and the quantitative analysis is also applied to determine the contents of compound. The Terahertz spectroscopy is a potential and promising technique in identifying the components, evaluating the drugs sanitation and inspecting the quality of medicine including TCM.