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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.

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.

Qiu T.,Soochow University of China | Zhang B.,Soochow University of China | Hu Z.-Y.,Soochow University of China | Tang J.-H.,Soochow University of China | And 2 more authors.
Analyst | Year: 2012

The approach for DNA detection was established by using a fluorescence resonance energy transfer (FRET) system, in which the energy donor was poly-diallyldimethylammonium chloride-protected quantum dots and the energy receptor was ethidium bromide (EB) inserting into the double stranded DNA. The concentration of the probe DNA, EB and NaCl was optimized. Under the optimized conditions, the FRET system has a stable signal and good reproducibility. The linear range is 7.7-61.6 nM with the correlation coefficient of 0.998 and the limit of detection is 7.7 nM. This method is simple and sensitive, and makes the label-free DNA detection come true. © 2012 The Royal Society of Chemistry.

Wu C.Y.,Nanjing University | Chen R.,Nanjing University | Chen R.,Suzhou Institute for Drug Control | Wang X.S.,Nanjing University | And 3 more authors.
Molecules | Year: 2013

This study investigated the antioxidant potential and anti-fatigue effects of phenolics extracted from the seed coat of Euryale ferox Salisb. The in vitro antioxidant potentials, including scavenging DPPH, hydroxyl radical activities and reducing power were evaluated. Antioxidant status in vivo was analyzed by SOD, CAT, GSH-Px activities and the MDA content in liver and kidneys of D-galactose-induced aging mice. The anti-fatigue effect was evaluated using an exhaustive swimming test, along with the determination of LDH, BUN and HG content. The phenolic extract possessed notable antioxidant effects on DPPH, hydroxyl radical scavenging and reducing power. The mice which received the phenolic extract showed significant increases of SOD, CAT (except for in the kidney), GSH-Px activities, and a decrease of MDA content. The average exhaustive swimming time was obviously prolonged. Meanwhile, increase of LDH content and decrease of BUN content were observed after mice had been swimming for 15 min. The HG storage of mice was improved in the high and middle dose extract groups compared with the normal group. The contents of total phenols and gallic acid of the extract were determined. Three compounds in the extract were identified as 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-chroman-4-one, 5,7,4-trihydroxyflavanone and buddlenol E. These results suggest that the extract of E. ferox is a promising source of natural antioxidants and anti-fatigue material for use in functional foods and medicines. © 2013 by the authors.

Gu X.-H.,Soochow University of China | Xu R.,Soochow University of China | Yuan G.-L.,Soochow University of China | Lu H.,Soochow University of China | And 2 more authors.
Analytica Chimica Acta | Year: 2010

The chlorogenic acid (CGA) surface-imprinted magnetic polymer nanoparticles have been prepared via water-in-oil-in-water multiple emulsions suspension polymerization. This kind of molecularly imprinted polymer nanoparticles (MIPs) had the core-shell structure with the size of about 50nm. Magnetic susceptibility was given by the successful encapsulation of Fe3O4 nanoparticles with a high encapsulation efficiency of 19.3wt%. MIPs showed an excellent recognition and selection properties for the imprinted molecule CGA. The recognition capacity of MIPs was near three times than that of non-imprinted polymer nanoparticles (NIPs). Compared with the competitive molecule caffeic acid (CFA), the selectivity of MIPs for CGA was 6.06 times as high as that of NIPs. MIPs could be reused and regenerated, and their rebinding amount in the fifth use was up to 78.85% of that in the first use. The MIPs prepared were successfully applied to the separation of CGA from the extract of Traditional Chinese Medicine Honeysuckle. © 2010.

Wu Z.,Soochow University of China | Lu H.,Soochow University of China | Zhang B.,Soochow University of China | Xie L.,Soochow University of China | And 3 more authors.
Chemometrics and Intelligent Laboratory Systems | Year: 2011

The paper has presented a method which could be used to detect short tandem repeat (STR) rapidly, simply and low-costly based on ultraviolet spectroscopy combined with principal discriminant variate (PDV) of chemical pattern recognition. Genotypes 10-11, 11-11 and 10-12 of STR locus D16S539 which was commonly used in forensic medicine were used to establish two-classified PDV genotyping models. The conditions of polymerase chain reaction (PCR) and ultraviolet spectral detection were optimized. Based on the optimal PCR conditions, each genotype was amplified twice in parallel. For the PDV model of 10-11 and 11-11, the prediction samples were all distributed in the scope of calibration samples, the between-class distances were big enough and the prediction accuracy was up to 100%, which indicated that the established PDV model could be used to discriminate genotypes with only one core repeat unit difference. Then the PDV model for genotypes 11-11 and 10-12 whose difference was even smaller (the total numbers of the two genotypes were both 22) was established. The model displayed the same classified characteristics as the above-mentioned one. Therefore, we assumed that the ultraviolet spectrum (UVS)-PDV method could be used to discriminate the genotypes with various degrees of differences. Subsequently, the expert system for six genotypes of the D16S539 locus was constructed based on their difference in the total number of core repeat unit. The 5 two-classified PDV models in the expert system all displayed satisfactory robustness and the discrimination ratios of the prediction samples were all 100%. The result indicated that the expert system based on the UVS-PDV method could be used to discriminate multi-genotypes of STR locus. Based on UVS, the paper achieved the detection of STR genotypes rapidly, simply and low-costly. © 2011 Elsevier B.V.

Wu Z.-Z.,Soochow University of China | Tang J.-H.,Soochow University of China | Zhang B.,Soochow University of China | Guo L.-P.,Chongqing University of Science and Technology | And 2 more authors.
Journal of Pharmaceutical Analysis | Year: 2012

This paper studied the expert system of genotype discrimination for the STR locus D5S818 based on near-infrared spectroscopyprincipal discriminant variate (PDV). Six genotypes, i.e. genotypes 1010, 1011, 1111, 1112, 1113 and 1313, were selected as research subjects. Based on the optimum polymerase chain reaction (PCR) conditions, about 54 measuring samples for each genotype were obtained; these samples were tested by near-infrared spectroscopy directly. With differences between homozygote genotypes and heterozygote ones, and differences of the total number of core repeat units between the six genotypes, two types of genotyping-tree structure were constructed and their respective PDV models were studied using the near-infrared spectra of the samples as recognition variables. Finally, based on the classification ability of these two genotyping-tree structures, an optimum expert system of genotype discrimination was built using the PDV models. The result demonstrated that the built expert system had good discriminability and robustness; without any preprocessing for PCR products, the six genotypes studied could be discriminated rapidly and correctly. It provided a methodological support for establishing an expert system of genotype discrimination for all genotypes of locus D5S818 and other STR loci. © 2012 Xi'an Jiaotong University. Production and hosting by Elsevier B.V. All rights reserved.

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