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Mou H.,Soochow University of China | Wang X.,Soochow University of China | Lv T.,Soochow University of China | Lv T.,SIP Bio and Nano Technology Development Co. | And 2 more authors.
Chemometrics and Intelligent Laboratory Systems | Year: 2011

Drug on-line circulation dissolution system with near infrared spectrophotometer for dissolution determination was reported in this paper and subsequently partial least squares (PLS) calibration model was established for concentration prediction of Baicalin in solid dispersion. When the main factor number in PLS calibration model was 6, the correlation coefficients of PLS calibration samples and prediction ones were all 0.9999 and the relative standard deviations were 0.69% and 1.10%, respectively, which showed good robustness and predictability. Combining drug circulation dissolution system with the PLS calibration model, dissolution of Baicalin in raw material drug and solid dispersion were obtained at different times. The results indicated that the dissolution property of Baicalin in solid dispersion (especially at the early time) had been significantly improved. The accumulated dissolution of Baicalin in the solid dispersion at 45. min reached nearly 40%, increasing by 15% compared with raw material drug (about 25%). The aforementioned PLS model associated with drug circulation dissolution system provided a simple, accurate and on-line support for dissolution determination of drug, especially at the early time of rapid dissolution. © 2010 Elsevier B.V. Source


Feng J.-J.,Soochow University of China | Lv T.,Soochow University of China | Lv T.,SIP Bio and Nano Technology Development Co. | Liu L.,Soochow University of China | And 5 more authors.
Chemometrics and Intelligent Laboratory Systems | Year: 2013

Based on high selectivity of mass spectrum, a method of chromatogram baseline-shift elimination was proposed and applied to study the interference of the baseline-shift on the metabonomics of liver toxicity caused by acetaminophen (APAP) and carbon tetrachloride (CCl4), and the metabonomics model-based evaluation of drug toxicity. The chromatogram baseline obtained by this method was true in all ranges of the retention time, including the ranges of chromatographic peaks. Besides, it could express the baseline-shift with the heteroscedastic noise, which was usually contained in the chromatographic peak and grew with the signal intensity of the peak. The metabonomics models of liver toxicity were built according to total ion chromatograms of urine samples from APAP, CCl4 and normal groups, whose baseline-shift was eliminated by this method. The result showed that baseline-shift would lead to a reduction of the evaluated toxicity and then may result in a wrong evaluation of drug toxicity. © 2013 Elsevier B.V. Source


Lv T.,Soochow University of China | Lv T.,SIP Bio and Nano Technology Development Co. | Mou H.-Y.,Soochow University of China | Feng J.-J.,Soochow University of China | And 5 more authors.
Chemometrics and Intelligent Laboratory Systems | Year: 2013

In this paper, a novel mass spectrum-based orthogonal projection (MSOP) method was proposed, aiming to eliminate the signals of exogenous metabolites generated from the Traditional Chinese Medicine (TCM) in metabonomics modeling. This method was tested by simulated data and standard sample data, respectively. Urinary sample data generated from control and acetaminophen (APAP)-treated rats by ultra-performance liquid chromatography/electrospray ionization mass spectrometry (UPLC/ESI-MS) were also used to investigate the feasibility of this method. All the results demonstrated that the MSOP method could eliminate the exogenous metabolites effectively. What's more, the metabolism peaks calculated from dosed group with MSOP method were identified to be the metabolites of APAP, which further indicated that the MSOP method was effective and reliable to eliminate the interfering signals of exogenous metabolites in real metabonomics research. Therefore, the MSOP method would be of great significance in metabonomics research especially for study in TCM. © 2013 Elsevier B.V. Source


Feng J.-J.,Soochow University of China | Hao G.,Suzhou Institute for Food and Drug Control | Min C.-Y.,Soochow University of China | Min C.-Y.,Suzhou Institute for Food and Drug Control | And 5 more authors.
Chemometrics and Intelligent Laboratory Systems | Year: 2014

Based on mass spectrum-based orthogonal projection (MSOP) method, the exogenous metabolite signal from Huang-Yao-Zi (HYZ) was obtained, and its effect on metabonomics model and toxicity evaluation was studied. The exogenous metabolite signal increased with prolonged administration time, showing an accumulative effect. Meanwhile, the exogenous metabolites with low molecular weight decreased but the ones with high molecular weight increased and the concentration of exogenous metabolites with high molecular weight rose notably, suggesting that the metabolic way of HYZ has changed. Metabonomics model revealed that the distance between the control and HYZ groups decreased after eliminating the exogenous metabolite signals. In addition, the potential biomarkers were preliminary studied. These results indicated that exogenous metabolite signal led to a stronger expression of the evaluated liver toxicity from HYZ and MSOP method would be of great significance for toxicity evaluation in Traditional Chinese Medicine. © 2014 Elsevier B.V. Source

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