[Rapid monitoring five components of ethanol precipitation process of Shenzhiling oral solution using near infrared spectroscopy].

To develop a method for the rapid monitoring of five components during the alcohol precipitation process of Shenzhiling oral solution using near infrared spectroscopy(NIRS).The contents of five components detemined by high performance liquid chromatography(HPLC) were used as the reference values, and the NIRS based partial least square regression(PLSR) models were used to monitor the concentrations of paeoniflorin, albiflorin, liquiritin, cinnamic acid and glycyrrhizic acid during the alcohol precipitation process of Shenzhiling oral solution, which were optimized and verified through comparing of different spectral pre-processing and variables selection methods. Determination coefficients(Rcal2 and Rpred2), root mean squares error of prediction (RMSEP), root mean squares error of calibration(RMSEC) and ratiao of performance to deviation(RPD) were applied to evaluate the performance of the models, and the corresponding values were 0.993 3 and 0.997 6, 0.084 9 g•L⁻¹, 0.073 3 g•L⁻¹ and 14.7 for paeoniforin; 0.991 4, 0.992 7, 0.028 1 g•L⁻¹, 0.030 5 g•L⁻¹ and 10.2 for albiforin; 0.955 3, 0.976 1, 0.012 0 g•L⁻¹, 0.012 3 g•L⁻¹ and 5.1 for liquiritin; 0.958 8, 0.990 3, 0.003 89 g•L⁻¹, 0.002 89 g•L⁻¹ and 7.1 for cinnamic acid; 0.982 0, 0.986 3, 0.053 8 g•L⁻¹, 0.059 0 g•L⁻¹, 7.2 for glycyrrhizic acid, respectively. The results indicated that the presented approach was effectively for the quantitative monitoring of the alcohol precipitation process of Shenzhiling oral solution.

[Identification of Metoprolol Tartrate Tablets from Different Manufacturers by Different Near Infrared Spectrometers].

To rapidly identify Metoprolol Tartrate tablets from different manufacturers, a qualitative analysis model can be established by near infrared spectroscopy. Firstly, AntarisII Fourier-transform near infrared (FT-NIR) spectroscopy and Micro NIR1700 Spectrometer were used to collect spectral data of 66 batches of samples which come from four different manufacturers, then 44 samples of calibration set and 22 samples of validation set were acquired by random sampling. In order to build up a PLS-DA model, the first derivative with Savitzky-Golay 15 points smoothing (1d+SG15) and standard normal vitiate transformation (SNV) was selected as the pretreatment method and according to the variation between different samples and the characteristic absorption band, 6 468-7 104 cm(-1) and 6 468-7 156 cm(-1) were chosen as the modeling spectra region. The confusion matrix indicated that Metoprolol Tartrate tablets could be rapidly and effectively identified by two analytical models, which were established using the spectral data collected from two instruments. For these two models, both of the sensitivity and specificity were 100%. This study confirmed that it is feasible to carry out the manufacturer identification of Metoprolol Tartrate tablets by near infrared spectroscopy. Besides, the use of Micro NIR1700 Spectrometer, which is the minimum and portable near infrared spectrometer, provides valuable insights for fast on-site drug screening.

Absolutely nondestructive discrimination of Huoshan Dendrobium nobile species with miniature near-infrared (NIR) spectrometer engine.

As one very precious traditional Chinese medicine (TCM), Huoshan Dendrobium has not only high price, but also significant pharmaceutical efficacy. However, different species of Huoshan Dendrobium exhibit considerable difference in pharmaceutical efficacy, so rapid and absolutely non-destructive discrimination of Huoshan Dendrobium nobile according to different species is crucial to quality control and pharmaceutical effect. In this study, as one type of miniature near-infrared (NIR) spectrometer, MicroNIR 1700 was used for absolutely nondestructive determination of NIR spectra of 90 batches of Dendrobium from five species of differ- ent commodity grades. The samples were intact and not smashed. Soft independent modeling of class analogy (SIMCA) pattern recognition based on principal component analysis (PCA) was used to classify and recognize different species of Dendrobium samples. The results indicated that the SIMCA qualitative models established with pretreatment method of standard normal variate transformation (SNV) in the spectra range selected by Qs method had 100% recognition rates and 100% rejection rates. This study demonstrated that a rapid and absolutely non-destructive analytical technique based on MicroNIR 1700 spectrometer was developed for successful discrimination of five different species of Huoshan Dendrobium with acceptable accuracy.

Caffeoyl naphthalenesulfonamide derivatives as HIV integrase inhibitors.

HIV-1 integrase (IN) is an essential enzyme for retroviral replication and a rational target for the design of anti-AIDS drugs. In the present study, we have designed, synthesized and tested a series of caffeoyl naphthalenesulfonamide derivatives as HIV integrase inhibitors. Among these compounds, we found that HIV integrase inhibitory activities of compounds III-3 and III-4 were more potent than L-chicoric acid (IC(50)=11.8 microg/mL) and others were comparable to L-chicoric acid. Furthermore, the structure-activity relationships of these compounds were studied. The information gathered from this paper will be useful in the development and design of HIV-1 integrase inhibitors in the future.