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121.
Minoo Dabiri Zeinab Noroozi Tisseh Mohsen Nobahar Ayoob Bazgir 《Helvetica chimica acta》2011,94(5):824-830
We have developed a clean, simple and efficient method for the synthesis of spiro compounds by three‐component reaction of isatins (=1H‐indole‐2,3‐diones) or acenaphthylene‐1,2‐dione, 1,3‐diphenyl‐1H‐pyrazoles‐5‐amines, and tetronic acid (=furan‐2,4‐(3H,5H)‐dione or 2‐hydroxy‐1,4‐naphthoquinone in the presence of a catalytic amount of L ‐proline in aqueous media. The advantages of this procedure are mild reaction conditions, high yields of products, operational simplicity, and easy workup procedures employed. 相似文献
122.
Gong X Moghaddam MJ Sagnella SM Conn CE Danon SJ Waddington LJ Drummond CJ 《Colloids and surfaces. B, Biointerfaces》2011,85(2):2137-359
An amphiphile prodrug, 5′-deoxy-5-fluoro-N4-(palmityloxycarbonyl) cytidine or 5′-deoxy-5-fluoro-N4-(hexadecanaloxycarbonyl) cytidine (5-FCPal), consisting of the same head group as the commercially available chemotherapeutic agent Capecitabine, linked to a palmityl hydrocarbon chain via a carbamate bond is reported. Thermal analysis of this prodrug indicates that it melts at ∼115 °C followed quickly by degradation beginning at ∼120 °C. The neat solid 5-FCPal amphiphile acquires a lamellar crystalline arrangement with a d-spacing of 28.6 ± 0.3 Å, indicating interdigitation of the hydrocarbon chains. Under aqueous conditions, solid 5-FCPal is non-swelling and no lyotropic liquid crystalline phase formation is observed. In order to assess the in vitro toxicity and in vivo efficacy in colloidal form, solid lipid nanoparticles (SLNs) with an average size of ∼700 nm were produced via high pressure homogenization. The in vitro toxicity of the 5-FCPal SLNs against several different cancer and normal cell types was assessed over a 48 h period, and IC50 values were comparable to those observed for Capecitabine. The in vivo efficacy of the 5-FCPal SLNs was then assessed against the highly aggressive mouse 4T1 breast cancer model. To do so, the prodrug SLNs were administered orally at 3 different dosages (0.1, 0.25, 0.5 mmol/mouse/day) and compared to Capecitabine delivered at the same dosages. After 21 days of receiving the treatments, the 0.5 mmol dose of 5-FCPal exhibited the smallest average tumour volume. Since 5-FCPal is activated in a similar manner to Capecitabine via a 3 step enzymatic pathway with the final step occurring preferentially at the tumour site, formulation of the prodrug into SLNs combines the advantage of selective, localized activation with the sustained release properties of nanostructured amphiphile self-assembly and multiple payload materials thereby potentially creating a more effective anticancer agent. 相似文献
123.
Hossein Roohi Mahjoubeh Jahantab Parya Fakour Minoo Rouhi 《Structural chemistry》2014,25(6):1635-1645
Energetic and structural properties of complexes formed from interaction between selenium analog of methimazole (MSeI) as an anti-thyroid drug and Mz+ (Li+, Na+, K+, Be2+, Mg2+ and Ca2+) cations have been investigated using B3LYP, M062X, PBE1PBE, and MP2 methods with 6-311++G(d,p) and 6-311++G(2d,2p) basis sets. Two planar and perpendicular complexes were predicted from interaction of MSeI and Mz+ cations. From the Gibbs free energy difference between the planar and perpendicular forms of MSeI–Mz+ complexes, it is found that the perpendicular forms are the predominant ones. In addition, the comparison of interaction energies shows that the order of energies increases in the following order: K+ < Na+ < Li+ < Ca2+ < Mg2+ < Be2+. The results of natural bond orbital analysis showed that the charge transfer occurs from MSeI to metal cations. The atom in molecule analysis shows that the charge density and its Laplacian at the Se–Mz+ bond critical point of the MSeI–M2+ complexes are greater than the MSeI–M1+ ones. Also, it was revealed that the Se–Mz+ interactions in perpendicular complexes of alkali and alkaline metal cations are electrostatic and partially covalent in nature, respectively. 相似文献
124.
Explicit expressions are given to study the biaxial buckling of monolayer graphene sheets. Based upon the continuum mechanics, a plate model is adopted in which the small length scale effect is incorporated into the governing equation through the nonlocal elasticity theory of Eringen. By employing the Galerkin method, analytical expressions are derived which allow quick and accurate calculation of the critical buckling loads of monolayer graphene sheets with various boundary conditions from the static deflection under a uniformly distributed load. The effectiveness of the present study is assessed by molecular dynamics simulations as a benchmark of good accuracy. 相似文献