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941.
Journal of Thermal Analysis and Calorimetry - The composition and temperature dependence of viscosity and configuration entropy of glasses with chemical composition close to that used for CHROMPIC...  相似文献   
942.
943.
The trans-Sialidase from Trypanosoma cruzi (TcTS) might be a key enzyme in search of new and more effective anti-Trypanosoma cruzi agents. In this report, molecular docking and quantum mechanical/molecular mechanical (QM/MM) molecular dynamics (MD) simulations were employed to determine the binding mode of the three TcTS inhibitors, two quinolinones derivatives (DHQ and THQ) and DANA. The results show that the sulfone group from THQ plays an important role in the protein-inhibitor interactions. In addition, a detailed analysis of the interactions of these inhibitors with key residues inside the binding pocket of TcTS has been carried out using AM1/MM. The residues Asp59, Asp247, Arg35, Arg245, and Arg314 are appointed as key residues to affinity energy of the complexes studied. Finally, the B3LYP/MM and AM1/MM methods were used to calculate global interaction energy, in order to understand the potential of these inhibitors. Among the inhibitors studied, THQ is confirmed as the most efficient one for inhibiting TcTS.  相似文献   
944.
945.
Journal of Thermal Analysis and Calorimetry - Hydroxychloroquine is effectively used in the treatment for malaria, lupus erythematosus and rheumatoid arthritis. The study of drug–excipient...  相似文献   
946.
947.
An electric current is used to create and maintain a linear molten zone in silicon. The electrical signature of the electric molten zone (EMZ) is described in detail. The measurement of the EMZ width as a function of operational parameters has shown good agreement with published data on the electrical conductivity of liquid silicon, and suggests a simple method for the estimation of the width of the EMZ from the electrical data.  相似文献   
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Coffee is one of the most important agricultural products in Brazil. More than 50 % of the coffee fruit is not used for the production of commercial green coffee and is therefore discarded, usually ending up in the environment. The goal of this work was to select an efficient process for obtaining coffee pulp extract and to evaluate the use of this extract in bioethanol production. The effects of heat treatment and trituration on the yield and composition of the extract were investigated by measuring the amounts of reducing sugars, starch, pectin, and phenolic compounds. The extraction process was most efficient at room temperature using grinding followed by pressing. Five different fermentation media were tested: sugarcane juice or molasses diluted with water or with coffee pulp extract and a medium with only coffee pulp extract. Batch fermentations were carried out at 30 °C for 24 h, and samples were taken to obtain measurements of the total reducing sugars, cell count, and ethanol concentration. The addition of coffee pulp extract did not influence the fermentation or yeast viability, and it can thus be mixed with sugarcane juice or molasses for the production of bioethanol, with a yield of approximately 70 g/L.  相似文献   
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