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Wen-Yan Ji Xiao-Li Xia Xiao-Hui Ren Fang Wang Hai-Jun Wang Kai-Sheng Diao 《Structural chemistry》2013,24(1):49-54
Ab initio calculations have been performed on the complexes of CF2Cl2 with NO and SO2, and a set of stable configurations for CF2Cl2–NO and CF2Cl2–SO2 were found with no imaginary frequencies by the MP2 method. In addition, the binding energy and the NBO analysis were used to evaluate the relative stability of the complexes. The calculated results indicate that the weak interactions in the CF2Cl2–NO and CF2Cl2–SO2 systems involved are enhanced with the increase of the number of non-covalent bonds. Further studies predict that the CF2Cl2–SO2 system may play a more important role than the CF2Cl2–NO system in environmental problem because the former offers a stronger interaction than the latter. Furthermore, the non-covalent binding interactions of Cl···N and Cl···O for CF2Cl2–NO system, Cl···O, Cl···S and F···S for CF2Cl2–SO2 system, are the dominant forces, which seem to be very significant as a driving force influencing the arrangement of molecules, especially in CF2Cl2–SO2 system. 相似文献
55.
A practical and efficient liquid‐phase synthesis of 3,4,5‐trisubstituted isoxazoles using poly(ethylene glycol) as supported is described. Soluble‐polymer‐supported nitrile oxide generated in situ reacted with chalcones to afford polymer‐supported isoxazolines, which were cleaved by sodium methoxide to generate 3,4,5‐trisubstituted isoxazoles instead of 3,4,5‐trisubstituted isoxazolines. This sequential process provided a novel method to synthesize 3,4,5‐trisubstituted isoxazoles. 相似文献
56.
Yulin Ren Francisco Jiménez Ricardo García Milciades Mejía Heebyung Chai Norman R. Farnsworth Djaja D. Soejarto A. Douglas Kinghorn 《Tetrahedron letters》2013
A new sesquiterpene lactone, rufescenolide C (1), the first furanoheliangolide dimer, was isolated from the leaves of Piptocoma rufescens, collected in the Dominican Republic. Its structure was determined by interpretation of its spectroscopic data, with the absolute configuration being established by analysis of the CD spectrum. A plausible biogenesis of this dimer is proposed. This compound showed potent cytotoxicity with an IC50 value of 150 nM, when tested against HT-29 human colon cancer cells. 相似文献
57.
The mechanism of α-acetyl-γ-butyrolactone (ABL) synthesis from γ-butyrolactone (GBL) and ethyl acetate (EtOAc) was explored by detecting the material changes involved and the enthalpies of formation of the synthons, products, and possible intermediates were calculated using the density functional theory. GBL forms a carbanion of γ-butyrolactone by losing an α-H under strongly alkaline conditions. ABL is then obtained via two reaction mechanisms. One of the reaction mechanisms involves direct reaction of the carbanion of GBL with EtOAc to produce ABL. The other involves the formation of a carbanion of α-(2-hydroxy-tetrahydrofuran-2-yl)-γ-butyrolactone through the reaction of two molecules of GBL, and the subsequent combination of this anion with EtOAc to produce ABL. ABL is thus formed through the above two kinds of competitive ester condensation reactions. It is unnecessary to take into account synthons’ local thickness, and their self-condensation under these conditions. Both reactions of the carbanion of GBL with EtOAc and GBL are exothermic, so the control of their reaction rate is the key to their security. Considering the reasons above, this work applied synthon as the solvent, and avoided environmental pollution by alkylbenzene; also, accidents such as red material and fire were avoided by specific surface area of sodium metal control. Effective isolation of the organic and aqueous phases was performed using the salting out method. Thus, an environmentally friendly, safe, simple, and efficient new method for the synthesis of ABL with the yield higher than 90 % has been established. 相似文献
58.
Hongtao Cui Minmin Wang Wanzhong Ren Yan Liu Yunan Zhao 《Journal of Sol-Gel Science and Technology》2013,66(3):512-517
Silica monoliths embedded with high concentration of γ-Fe2O3 or TiO2 nanoparticles were prepared by a sol–gel procedure designed according to the inherent properties of oxide colloids. In the first step, highly dispersible oxide nanoparticles were produced using an in situ modification sol–gel strategy. Then, these particles were re-dispersed in silicon alkoxide-containing solution to form a stable colloidal solution. The hydrolysis and condensation reactions of alkoxide were catalyzed by an organic base (morpholine). Due to the large molecule size of morpholine, the electric double layer on the surface of colloidal particles was not compressed by the ionized morpholine molecules. The colloidal solution thus remained stable during the gelation process. Through this procedure, oxide nanoparticles could be immobilized homogeneously in the pores of a silica matrix, forming highly transparent and crack-free monoliths. 相似文献
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Nadia Al-Saedi Manjree Agarwal Shahidul Islam Yong-Lin Ren 《Molecules (Basel, Switzerland)》2021,26(8)
Australian sweet lupin, the largest legume crop grown in Western Australia, is receiving global attention from the producers of new foods. To understand the effect of protein on cheese yield, lupin milk proteins were separated from the first, second, and third filtrations by cheesecloths. However, proteins from the first and second were analyzed using two-dimensional polyacrylamide gel electrophoresis; then, the isolated proteins associated with cheese production were identified. The research also focused on identifying the optimal method of cheese production based on the coagulation process, temperature, yield, and sensory evaluation. Lupin curds from the two cultivars, Mandelup and PBA Jurien, were produced using vinegar, lemon juice, starter culture, vegetable rennet enzyme as coagulant, as well as curd generated using starter culture and vegetable rennet enzyme. Cow’s milk was used as a control. The results indicated that first-time filtration produced better extraction and higher yield of lupin proteins and cheese than the second filtration. A sensory analysis indicated that lupin cheese produced from PBA Jurien lupin milk using vinegar, 7.80% expressed as acetic acid, and ground in 45 °C water, was the most acceptable. The cheeses were examined for their protein, carbohydrates, fat, ash, and moisture contents. The concentration of protein was approximately 27.3% and 20.6%, respectively, in the cheese from PBA Jurien and Mandelup. These results suggest that lupin milk can adequately supply the proteins needed in human diets and, thus, could be used in the production of many existing products that require animal milk as an input. 相似文献