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Guo X.,University of Science and Technology of China | Guo X.,Nanjing Institute of Environmental Sciences | Wang N.,Nanjing Institute of Environmental Sciences | Xu J.,Nanjing Institute of Environmental Sciences | And 3 more authors.
Huanjing Kexue Xuebao/Acta Scientiae Circumstantiae | Year: 2013

The adsorption and leaching of sulfonamides (sulfadiazine, sulfamerazine, sulfamethazine, sulfadimethoxine, and sulfamethoxazole) in five soils from China were examined using batch equilibrium method and column leaching method in order to understand the attenuation of sulfonamides in environment. The results showed that the adsorption experimental data of sulfonamides could be best described by the Freundlich equation. Kd values ranged from 0.10 to 4.39 μg1-1/n (cm3)1/n g-1, and the adsorption ranked as Dongbei black soil ≈ Wuxi paddy soil>Jiangxi red soil>Nanjing yellow-brown soil ≈ Shaanxi tide soil. Soil adsorption of sulfonamides was primarily related to soil pH and percent organic carbon. As soil pH increased, Kd values of sulfonamides decreased as sulfonamides dissociated to the anionic form. As percent organic carbon increased, Kd values of sulfonamides increased. Moreover, the adsorption free energy of the five tested sulfonamides ranged from -12.5 to -5.3 kJ·mol-1, indicating that the adsorption could be largely attributed to the physical adsorption. In the soil column, the motion of sulfonamides was obvious and the order of leaching rate of five soils was Shaanxi tide soil>Nanjing yellow-brown soil>Jiangxi red soil>Wuxi paddy soil>Dongbei black soil, which was in accordance with the adsorption results. The incorporation of sulfonamides through animal manure can bring risks to groundwater, which should be paid more attention.


Gong P.,China Pharmaceutical University | Cui N.,China Pharmaceutical University | Wu L.,China Pharmaceutical University | Liang Y.,China Pharmaceutical University | And 5 more authors.
Analytical Chemistry | Year: 2012

Global metabolite identification of complex compound mixtures in biological systems is a very challenging task. Herein, we developed and validated a chemicalome to metabolome matching approach by taking herbal medicine as an example to delineate the metabolic networks of complex systems. This approach consists of five steps of data processing including raw data output, endogenous background subtraction, parent compound and metabolite differentiation, chemicalome to metabolome correlation, and the final validation via manual fragment comparison. Chemicalome to metabolome correlation, the core step of this approach, was performed based on matching the accurate mass differences of pseudomolecular ions between them with the accurate mass changes of known metabolic pathways and validating the matches by validation ions. A step-forward approach that confers a gradual identification of metabolites generated from different steps (1-4) and types (degradation, phase I/II, or mixed) of metabolic reactions was further proposed for chemicalome to metabolome matching. This approach was validated to be very useful and powerful for the metabolite identification of a single compound, a homologous compound mixture, and a complex herbal system. Using this approach, all metabolites (162) detected from urine samples of rats treated with Mai-Luo-Ning injection could be linked to their respective parent compounds, and 143 of them were supported by the final validation via manual fragment analysis. In most cases, more than 80% of the automatic matching results could be supported by the manual fragment validations. A complex metabolic network showing all the possible links between precursors and metabolites was successfully constructed. This study provides a generally applicable approach to global metabolite identification of complex compound mixtures in complex matrixes. © 2012 American Chemical Society.


Tang W.-G.,Jinling Pharmaceutical Co. | Wang Q.-Z.,CAS Institute of Botany | Yin M.,CAS Institute of Botany | Wang M.,CAS Institute of Botany | And 3 more authors.
Chinese Traditional and Herbal Drugs | Year: 2014

Objective: To establish an inductively coupled plasma mass spectrometry (ICP-MS) with microwave digestion method for the determination of the amounts of trace elements (Mg, Ca, Fe, Cu, Zn, Mn, Al, B, Ba, Co, Cr, K, Li, Mo, Na, Ni, P, Pb, Sr, Th, Ti, V, As, Cd, and Hg) in Mailuoning Injection. Methods: The conditions of microwave digestion and test were studied respectively. After the microwave digestion, 25 kinds of minerals in the samples were determined by ICP-MS, and the methodology was investigated. Results: The optimal digestion conditions were 3-step slowly heating: 400 W 80℃ to heat up for 10 min and keep 5 min; 600 W 120℃ to heat up for 10 min and keep 5 min; 900 W 200℃ to heat up for 20 min and keep 20 min. The determination results of 25 kinds of mineral elements all have a good linear relationship, r≥0.9996. The RSD values of the precision, stability, and repeatability all met the demands of quantitative analysis. The recovery was 94.7%-106.1% and RSD was 0.34%-2.79%. Mg, Ca, Fe, Cu, Zn, Mn, Al, B, Ba, Co, Cr, K, Li, Mo, Na, Ni, P, Pb, Sr, Th, Ti, and V were detected in Mailuoning Injection, and there was no detection of As, Cd, and Hg. Conclusion: This method is simple, sensitive, and precise, and could satisfy the simultaneous determination of minerals in Mailuoning Injection. ©, 2014, Editorial Office of Chinese Traditional and Herbal Drugs. All right reserved.


Yang N.-Y.,Nanjing University of Traditional Chinese Medicine | Liu L.,Nanjing University of Traditional Chinese Medicine | Tao W.-W.,Nanjing University of Traditional Chinese Medicine | Duan J.-A.,Nanjing University of Traditional Chinese Medicine | And 2 more authors.
Natural Product Research | Year: 2011

Chemical investigation of Semen Persicae has led to the isolation of decane (1), triolein (2), nonacosanoic acid (3), oleic acid ethyl ester (4), palmitic acid (5), oleic acid (6) and 15,16-dihydroxy-9Z,12Z-octadecadienoic acid 2,3-dihydroxypropyl ester (7). Amongst these, compound 7 is a new lipid. Their structures were elucidated by chemical and extensive spectral analysis. Their anticoagulative activities were also evaluated in vitro, which showed that petroleum ether extract and compounds 5-6 could significantly prolong thrombin time while methanol extract could obviously inhibit platelet aggregation. © 2011 Taylor & Francis.


Yang N.-Y.,Shanghai Institute of Pharmaceutical Industry | Xu X.-H.,China Pharmaceutical University | Ren D.-C.,China Pharmaceutical University | Duan J.-A.,China Pharmaceutical University | And 3 more authors.
Helvetica Chimica Acta | Year: 2010

Four new secoiridiod glucosides, p-hydroxyphenethyl 7-β-D- glucosideelenolic acid ester (1), 6′-elenolylnicotiflorine (2), 6‴-acetylnicotiflorine (3), and oleoside 7-ethyl 11-methyl ester (4), as well as six known glucosides, nuezhenide (5), Gl-3 (6), nicotiflorine (7), isonuezhenide (8), neonuezhenide (9), and oleoside 11-methyl ester (10) were isolated from the fruits of Ligustrum lucidum. Their structures were elucidated by spectroscopic methods. Compound 4 was an artifact produced during extraction. © 2010 Verlag Helvetica Chimica Acta AG.


Xia Y.,Jinling Pharmaceutical Co. | Xia Y.,Anhui Agricultural University | Xia Y.,CAS Shanghai Institute of Organic Chemistry | Zhang F.,CAS Shanghai Institute of Organic Chemistry | And 2 more authors.
Journal of Chromatographic Science | Year: 2015

Headspace solid-phase microextraction (HS-SPME) coupled with gas chromatography-quadrupole time-of-flight mass spectrometry (GC-QTOF MS) has been used in the present study to isolate and identify volatile components from Siraitia grosvenorii, a herbaceous perennial vine used as a natural sweetener and medicine. Compared with the static HS extraction and the different SPME fiber coatings, HS-SPME with divinylbenzene/carboxen/polydimethylsiloxane fiber was preferred to extract the target analytes including aldehyde, alcohol, acid, ester and other compounds. In the identification, a multi-dimensional qualitative analysis approach containing library searching, retention index comparison, accurate mass measurement, the second-stage mass spectrum (MS2 spectrum) and area normalization was utilized. Finally, a total of 46 compounds were identified from S. grosvenorii. Among them, n-hexadecanoic acid, 5-hydroxymethylfurfural, 2,3-dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one, (Z, Z)-9,12-octadecadienoic acid and (E, E)-2,4-nonadienal were the main volatile components. The results showed that HS-SPME coupled with GC-QTOF MS is efficient for the extraction of polar volatiles from S. grosvenorii and accurate for the identification of volatile compounds in the complicated matrix. © The Author [2014]. Published by Oxford University Press. All rights reserved.


Li J.,China Pharmaceutical University | Li J.,Jinling Pharmaceutical Co. | Xing Y.,China Pharmaceutical University | Zhou Z.,Nanjing Southeast University | And 5 more authors.
Tumor Biology | Year: 2016

Tumor-derived autophagome (DRibble) is an effective therapeutic cancer vaccine inducing T cell recognition and death of tumor cells in mice. However, the potential for improved anti-tumor response still remains. Our previous study demonstrated that two repeats of a mycobacterial HSP70407–426 (M2) peptide acted as adjuvant in improving anti-tumor efficacy of human umbilical vein endothelial cell (HUVEC) vaccine. Here, a DRibble vaccine conjugated with M2 (DRibble-M2) was designed as a novel vaccine to enhance anti-tumor activity. Compared with DRibble alone, DRibble-M2 vaccination more significantly inhibited the growth of mouse Lewis lung cancer both in a subcutaneous tumor model and in a lung metastasis model. Higher expression of antigen-specific CTL was induced by DRibble-M2. DRibble-M2 induced higher CD83 and CD86 expression in DC2.4 and also improved the internalization of DRibble antigen into DC2.4. Our data indicated that DRibble-M2 is a potential vaccine for clinical cancer therapy. © 2016 International Society of Oncology and BioMarkers (ISOBM)

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