Considering the problems of classical structure parameters that existed in the study of quantitative structure activity relationship (QSAR). Two new groups of autocorrelation topological indexes V(t), E(t), (P(t)) and...Considering the problems of classical structure parameters that existed in the study of quantitative structure activity relationship (QSAR). Two new groups of autocorrelation topological indexes V(t), E(t), (P(t)) and A(t), B(t), C(t), D(t) were developed on the basis of molecular topology and autocorrelation function in mathematics. The first group were obtained from Van der Waals volume, electronegativity and topological vertex degree;and the second group were obtained from the different combination of topological vertex degree.Corresponding softwares of ATIJP and ATITP have been developed for calculating these two new groups of indexes. Better results have been obtained from the application of these indexes in QSAR study.展开更多
Difference of montmorillonite (Mt), illite (It) and kaolinite (Kt) in lead sorption characteristics and the effects of amorphous Fe and Al oxide coatings on the characteristics were experimentally studied with logisti...Difference of montmorillonite (Mt), illite (It) and kaolinite (Kt) in lead sorption characteristics and the effects of amorphous Fe and Al oxide coatings on the characteristics were experimentally studied with logistic model. The sorption curves had sigmoid feature due to use of acetate-type buffer solution. With the model the sorption process could be divided into four stages and the sorption characteristics at the stages were discussed. The results showed that, after Mt, It and Kt were coated by amorphous Fe oxide, their maximum sorption capacity (MSC) and percentage of high-SSC concentration scope (HCS) of Pb2+ increased markedly, but the specific sorption capacity (SSC) decreased. With regard to effects of amorphous Al oxide coating, except for It+AI, the SSC of other samples showed a downtrend, despite that their MSC remained unchanged. Eventually, the gray correlation degrees to Pb2+ sorption for different physicochemical characteristics of the clay minerals were indicated to be higher for hydronium, zero point of surface charge and hydroxy, but lower for specific surface area, density of surface charge and amount of surface charges.展开更多
Aptamers are molecular recognition elements with high specificity that are selected from deoxyribonucleic acid/ribonucleic acid (DNA/RNA) library. Compared with the traditional protein recognition elements,aptamers ha...Aptamers are molecular recognition elements with high specificity that are selected from deoxyribonucleic acid/ribonucleic acid (DNA/RNA) library. Compared with the traditional protein recognition elements,aptamers have excellent properties such as cost-effective,stable,easy for synthesis and modification. In recent years,electrochemistry plays an important role in biosensor field because of its high sensitivity,high stability, fast response and easy miniaturization. Through the combination of these two technologies and our rational design,we constructed a series of biosensors and biochips that are simple,fast,cheap and miniaturized. Firstly,we designed an adenosine triphosphate (ATP) electrochemical biosensor based on the strand displacement strategy. We can detect as low as 10 nmol/L of ATP both in pure solution and complicated cell lysates. Secondly,we creatively split the aptamers into two fragments and constructed the sandwich assay platform only based on single aptamer sequence. We successfully transferred this design on biochips with multiple micro electrodes (6×6) and accomplished multiplex detection. In the fields of biochips and biocomputers,we designed several DNA logic gates with electric (electrochemical) signal as output which paves a new way for the development of DNA computer.展开更多
OBJECTIVE:To summarize comprehensive information concerning ethnomedicinal uses, phytochemistry, and pharmacological activities of parsley. METHODS: Databases including PubMed, Scopus, Google Scholar, and Web of Scien...OBJECTIVE:To summarize comprehensive information concerning ethnomedicinal uses, phytochemistry, and pharmacological activities of parsley. METHODS: Databases including PubMed, Scopus, Google Scholar, and Web of Science were searched for studies focusing on the ethnomedicinal use, phytochemical compounds and biological and pharmacological activities of parsley. Data were collected from 1966 to 2013. The search terms were: "Parsley" or "Petroselinum crispum" or "Petroseli-num hortence ". RESULTS: Parsley has been used as carminative, gastro tonic, diuretic, antiseptic of urinary tract, anti-urolithiasis, anti-dote and anti-inflammatory and for the treatment of amenorrhea, dysmenorrhea, gastrointestinal disorder, hypertension, cardiac disease, urinary disease, otitis, sniffle, diabetes and also various dermal disease in traditional and folklore medicines. Phenolic compounds and flavonoids particularly apigenin, apiin and 6"-Acetylapiin; essential oil mainly myristicin and apiol; and also coumarins are the active compounds identified in Petroselinum crispum. Wide range of pharmacological activity including antioxidant, hepatoprotective, brain protective, anti-diabetic, analgesic, spasmolytic, immunosuppressant, anti-platelet, gastroprotective, cytoprotective, laxative, estrogenic, diuretic, hypotensive, antibacterial and antifungal activities have been exhibited for this plant in modern medicine. CONCLUSION: It is expectant that this study resulted in improvement the tendencies toward Petroselinum crispum as a useful and important medicinal plant with wide range of proven medicinal activity.展开更多
文摘Considering the problems of classical structure parameters that existed in the study of quantitative structure activity relationship (QSAR). Two new groups of autocorrelation topological indexes V(t), E(t), (P(t)) and A(t), B(t), C(t), D(t) were developed on the basis of molecular topology and autocorrelation function in mathematics. The first group were obtained from Van der Waals volume, electronegativity and topological vertex degree;and the second group were obtained from the different combination of topological vertex degree.Corresponding softwares of ATIJP and ATITP have been developed for calculating these two new groups of indexes. Better results have been obtained from the application of these indexes in QSAR study.
文摘Difference of montmorillonite (Mt), illite (It) and kaolinite (Kt) in lead sorption characteristics and the effects of amorphous Fe and Al oxide coatings on the characteristics were experimentally studied with logistic model. The sorption curves had sigmoid feature due to use of acetate-type buffer solution. With the model the sorption process could be divided into four stages and the sorption characteristics at the stages were discussed. The results showed that, after Mt, It and Kt were coated by amorphous Fe oxide, their maximum sorption capacity (MSC) and percentage of high-SSC concentration scope (HCS) of Pb2+ increased markedly, but the specific sorption capacity (SSC) decreased. With regard to effects of amorphous Al oxide coating, except for It+AI, the SSC of other samples showed a downtrend, despite that their MSC remained unchanged. Eventually, the gray correlation degrees to Pb2+ sorption for different physicochemical characteristics of the clay minerals were indicated to be higher for hydronium, zero point of surface charge and hydroxy, but lower for specific surface area, density of surface charge and amount of surface charges.
基金100 Talents Program of Chinese Academy of SciencesNational Key Basic Research Program of China ("973"Program) (No. 2012CB932600)
文摘Aptamers are molecular recognition elements with high specificity that are selected from deoxyribonucleic acid/ribonucleic acid (DNA/RNA) library. Compared with the traditional protein recognition elements,aptamers have excellent properties such as cost-effective,stable,easy for synthesis and modification. In recent years,electrochemistry plays an important role in biosensor field because of its high sensitivity,high stability, fast response and easy miniaturization. Through the combination of these two technologies and our rational design,we constructed a series of biosensors and biochips that are simple,fast,cheap and miniaturized. Firstly,we designed an adenosine triphosphate (ATP) electrochemical biosensor based on the strand displacement strategy. We can detect as low as 10 nmol/L of ATP both in pure solution and complicated cell lysates. Secondly,we creatively split the aptamers into two fragments and constructed the sandwich assay platform only based on single aptamer sequence. We successfully transferred this design on biochips with multiple micro electrodes (6×6) and accomplished multiplex detection. In the fields of biochips and biocomputers,we designed several DNA logic gates with electric (electrochemical) signal as output which paves a new way for the development of DNA computer.
文摘OBJECTIVE:To summarize comprehensive information concerning ethnomedicinal uses, phytochemistry, and pharmacological activities of parsley. METHODS: Databases including PubMed, Scopus, Google Scholar, and Web of Science were searched for studies focusing on the ethnomedicinal use, phytochemical compounds and biological and pharmacological activities of parsley. Data were collected from 1966 to 2013. The search terms were: "Parsley" or "Petroselinum crispum" or "Petroseli-num hortence ". RESULTS: Parsley has been used as carminative, gastro tonic, diuretic, antiseptic of urinary tract, anti-urolithiasis, anti-dote and anti-inflammatory and for the treatment of amenorrhea, dysmenorrhea, gastrointestinal disorder, hypertension, cardiac disease, urinary disease, otitis, sniffle, diabetes and also various dermal disease in traditional and folklore medicines. Phenolic compounds and flavonoids particularly apigenin, apiin and 6"-Acetylapiin; essential oil mainly myristicin and apiol; and also coumarins are the active compounds identified in Petroselinum crispum. Wide range of pharmacological activity including antioxidant, hepatoprotective, brain protective, anti-diabetic, analgesic, spasmolytic, immunosuppressant, anti-platelet, gastroprotective, cytoprotective, laxative, estrogenic, diuretic, hypotensive, antibacterial and antifungal activities have been exhibited for this plant in modern medicine. CONCLUSION: It is expectant that this study resulted in improvement the tendencies toward Petroselinum crispum as a useful and important medicinal plant with wide range of proven medicinal activity.