The density functional method （B3P86/6-311G） is used for calculating the possible structures of SeC, SeO, and SeCO molecules. The result shows that the ground state of the SeC molecule is 1^∑, the equilibrium nucle...The density functional method （B3P86/6-311G） is used for calculating the possible structures of SeC, SeO, and SeCO molecules. The result shows that the ground state of the SeC molecule is 1^∑, the equilibrium nuclear distance is RseC = 0.1699 nm, and the dissociation energy is De = 8.7246 eV. The ground state of the SeO molecule is 3^∑, with equilibrium nuclear distance RseO=0.1707 nm and dissociation energy De = 7.0917 eV. There are two structures for the ground state of the SeCO molecule： Se=C=O and Se=O=C. The linear Se=C=O is 1^∑. Its equilibrium nuclear distances and dissociation energy are Rsec = 0.1715 nm, Rco = 0.1176 nm and 18.8492 eV, respectively. The other structure Se=O=C is 1^∑. Its equilibrium nuclear distances and dissociation energy are Rco = 0.1168 nm, RSeO= 0.1963 nm and 15.5275 eV, respectively. The possible dissociative limit of the SeCO molecule is analyzed. The potential energy function for the SeCO molecule has been obtained from the many-body expansion theory. The contour of the potential energy curve describes the structure characters of the SeCO molecule. Furthermore, contours of the molecular stretching vibration based on this potential energy function are discussed.展开更多
Two novel compounds, named sphaerophyside SC and SD were isolated from the ethanolic extract of the seeds of Sphaerophysa salsula. The structures of the compounds were elucidated on the basis of the NMR data, especia...Two novel compounds, named sphaerophyside SC and SD were isolated from the ethanolic extract of the seeds of Sphaerophysa salsula. The structures of the compounds were elucidated on the basis of the NMR data, especially the 2D NMR technique.展开更多
The high morbidity generated by the infection caused by parasites of the genus Leishmania, make of this infection into one of the vector-borne infectious diseases most relevant worldwide, which added to the fact that ...The high morbidity generated by the infection caused by parasites of the genus Leishmania, make of this infection into one of the vector-borne infectious diseases most relevant worldwide, which added to the fact that the drugs used for its treatment are far from be optimal and considering that prophylactic approaches (such as the development of a vaccine) still seems far from being achieved, make of the search for new therapeutic alternatives for safe and effective treatment of this disease one of the most accurate approaches to the control of this disease. In this study we evaluated the antileishmanial and immunomodu- latory activity of the compound 11α,19β-dihydroxy- 7-acetoxy-7-deoxoichangin (a seco-limonid molecule) through: 1) evaluation of its cytotoxicity over promastigotes and axenic amastigotes of L. (V) panamensis, 2) determination of its ability to induce the control of in vitro infection, using infected murine cells (J774.2) and human dendritic cells (hDCs), 3) quantifying the levels of pro-inflammatory cytokines, (iv) evaluating the expression of cell markers associated with hDCs maturation, and (v) determinating the production of nitric oxide free radicals (NO). In this regard, this seco-limonoid exhibited an antileishmanial activity represented in the reduction of in vitro infection in J774.2 cells and hDCs, with a EC50 of 7.9 μM (4.48 μg/mL) and 25.5 μM (14.39 μg/mL), respectively, and additionally, we observed an increase on the production of IL-12p70, TNF-α and NO, as also, in the number of hDCs HLA-DR-positive in treated infected hDCs. These findings suggest that anti-lei- shmanial activity of this compound could be associated with the potential “reactivation” of phagocytic cell that is “paralyzed” by the infection, generating an immune phenotype associated with protection.展开更多
On the basis of the investigation on natural product antitumor agents,a new diterpenoid named macrocalyxin J was isolated from the leaves of Rabdosia macrocalyx（Dunn） Hara by silica gel column chromatography.Based o...On the basis of the investigation on natural product antitumor agents,a new diterpenoid named macrocalyxin J was isolated from the leaves of Rabdosia macrocalyx（Dunn） Hara by silica gel column chromatography.Based on IR,MS,1H NMR,13C NMR and 2D NMR spectroscopies,the structure of macrocalyxin J was determined as（1α,6β,11β,14α）-1,7∶6,20-diepoxy-6,11-dihydroxy-6,7-seco-ent-kaur-16-ene-7,15-dione-14-acetate.The antitumor activity of the compound was assayed by MTT method.Macrocalyxin J was shown to have a potency in vitro against the cultures of Hela cells.展开更多
文摘The density functional method （B3P86/6-311G） is used for calculating the possible structures of SeC, SeO, and SeCO molecules. The result shows that the ground state of the SeC molecule is 1^∑, the equilibrium nuclear distance is RseC = 0.1699 nm, and the dissociation energy is De = 8.7246 eV. The ground state of the SeO molecule is 3^∑, with equilibrium nuclear distance RseO=0.1707 nm and dissociation energy De = 7.0917 eV. There are two structures for the ground state of the SeCO molecule： Se=C=O and Se=O=C. The linear Se=C=O is 1^∑. Its equilibrium nuclear distances and dissociation energy are Rsec = 0.1715 nm, Rco = 0.1176 nm and 18.8492 eV, respectively. The other structure Se=O=C is 1^∑. Its equilibrium nuclear distances and dissociation energy are Rco = 0.1168 nm, RSeO= 0.1963 nm and 15.5275 eV, respectively. The possible dissociative limit of the SeCO molecule is analyzed. The potential energy function for the SeCO molecule has been obtained from the many-body expansion theory. The contour of the potential energy curve describes the structure characters of the SeCO molecule. Furthermore, contours of the molecular stretching vibration based on this potential energy function are discussed.
文摘Two novel compounds, named sphaerophyside SC and SD were isolated from the ethanolic extract of the seeds of Sphaerophysa salsula. The structures of the compounds were elucidated on the basis of the NMR data, especially the 2D NMR technique.
基金Financial support for this research was provided by the National Natural Science Foundation of China (No. 3007088). We are grateful to Professor Xiao-Tian Liang for his advice on this manuscript.
基金The authors wish to thank all members of the analytical group of Phytochemistry Laboratory of Kunming Institute of Botany Academic Sinica for the measurement of spectral data.
文摘The high morbidity generated by the infection caused by parasites of the genus Leishmania, make of this infection into one of the vector-borne infectious diseases most relevant worldwide, which added to the fact that the drugs used for its treatment are far from be optimal and considering that prophylactic approaches (such as the development of a vaccine) still seems far from being achieved, make of the search for new therapeutic alternatives for safe and effective treatment of this disease one of the most accurate approaches to the control of this disease. In this study we evaluated the antileishmanial and immunomodu- latory activity of the compound 11α,19β-dihydroxy- 7-acetoxy-7-deoxoichangin (a seco-limonid molecule) through: 1) evaluation of its cytotoxicity over promastigotes and axenic amastigotes of L. (V) panamensis, 2) determination of its ability to induce the control of in vitro infection, using infected murine cells (J774.2) and human dendritic cells (hDCs), 3) quantifying the levels of pro-inflammatory cytokines, (iv) evaluating the expression of cell markers associated with hDCs maturation, and (v) determinating the production of nitric oxide free radicals (NO). In this regard, this seco-limonoid exhibited an antileishmanial activity represented in the reduction of in vitro infection in J774.2 cells and hDCs, with a EC50 of 7.9 μM (4.48 μg/mL) and 25.5 μM (14.39 μg/mL), respectively, and additionally, we observed an increase on the production of IL-12p70, TNF-α and NO, as also, in the number of hDCs HLA-DR-positive in treated infected hDCs. These findings suggest that anti-lei- shmanial activity of this compound could be associated with the potential “reactivation” of phagocytic cell that is “paralyzed” by the infection, generating an immune phenotype associated with protection.
文摘On the basis of the investigation on natural product antitumor agents,a new diterpenoid named macrocalyxin J was isolated from the leaves of Rabdosia macrocalyx（Dunn） Hara by silica gel column chromatography.Based on IR,MS,1H NMR,13C NMR and 2D NMR spectroscopies,the structure of macrocalyxin J was determined as（1α,6β,11β,14α）-1,7∶6,20-diepoxy-6,11-dihydroxy-6,7-seco-ent-kaur-16-ene-7,15-dione-14-acetate.The antitumor activity of the compound was assayed by MTT method.Macrocalyxin J was shown to have a potency in vitro against the cultures of Hela cells.
