Mass transfer characteristics have been investigated in a 113 mm diameter asymmetric rotating disk contactor of the pilot plant scale for two different liquid–liquid systems. The effects of operating parameters inclu...Mass transfer characteristics have been investigated in a 113 mm diameter asymmetric rotating disk contactor of the pilot plant scale for two different liquid–liquid systems. The effects of operating parameters including rotor speed and continuous and dispersed phase velocities on the volumetric overall mass transfer coefficients are investigated. The results show that the mass transfer performance is strongly dependent on agitation rate and interfacial tension, but only slightly dependent on phase flow rates. In this study, effective diffusivity is used instead of molecular diffusivity in the Grober equation for estimation of dispersed phase overall mass transfer coefficient.The enhancement factor is determined experimentally and there from an empirical expression is derived for prediction of the enhancement factor as a function of Reynolds number. The predicted results compared to the experimental data show that the proposed correlation can efficiently predict the overall mass transfer coefficients in asymmetric rotating disk contactors.展开更多
In this paper, an improved PI （proportional integral） stator resistance estimation for a DTC （direct torque controlled） induction motor is proposed. This estimation method is based on an on-line stator resistance ...In this paper, an improved PI （proportional integral） stator resistance estimation for a DTC （direct torque controlled） induction motor is proposed. This estimation method is based on an on-line stator resistance correction regarding the variations of the stator current estimation error. In fact, the input variable of the P1 estimator is the stator current estimation error. The main idea is to tune accurately the stator resistance value relatively to the evolution of the stator current estimation error gradient to avoid the drive instability and ensure the tracking of the actual value of the stator resistance. But there is an unavoidable steady state error between the filtered stator current modulus and its estimated value from the dq model of the machine which is due to pseudo random commutations of the inverter switches. This may deteriorate the performance of the proposed fuzzy stator resistance estimator. An offset has been introduced in order to overcome this problem, for different speed command values and load torques. Simulation results show that the proposed estimator was able to successfully track the actual value of the stator resistance lbr different operating conditions.展开更多
HIV-1 reverse transcriptase（RT） inhibitors are major components of HAART（highly active antiviral therapy）. The S-DABOs（dihydro-alkylthio-benzyl-oxopyrimidines） series and their similar skeletons have exhibited p...HIV-1 reverse transcriptase（RT） inhibitors are major components of HAART（highly active antiviral therapy）. The S-DABOs（dihydro-alkylthio-benzyl-oxopyrimidines） series and their similar skeletons have exhibited preferable activities to inhibit HIV-1 RT. In the present study, we generated field-based QSAR models using common structure alignment, which was characterized by Gaussian steric, electrostatic, hydrophobic, hydrogen bond donor, hydrogen bond acceptor and aromatic ring fields（R2 = 0.8421, RCV2 = 0.5949 for the training set, Q2 = 0.5486, Pearson-r = 0.7460 for the test set）. Docking, pocket surface and contour map analyses were carried out. Key pharmacophore features were investigated, including（i） π-π interaction with residue Tyr181, Tyr188 and Trp229, σ-π interaction with His236,（ii） hydrogen bond with residue Lys101 and halogen bond with residue Tyr188. The docking analysis and field-based QSAR models could provide reasonable guidance in the rational design of potent HIV-1 RT inhibitors.展开更多
Among the structurally diverse NNRTIs, pyridinone scaffolds demonstrate high potency against HIV-1 wild type and drug-resistant strains. During the optimization of our pyridinone compound 1（LAM-trans）, we found that...Among the structurally diverse NNRTIs, pyridinone scaffolds demonstrate high potency against HIV-1 wild type and drug-resistant strains. During the optimization of our pyridinone compound 1（LAM-trans）, we found that the introduction of the N atoms in the C-4 position could dramatically improve the water solubility（7b）, whereas protonation of the piperidine N atom resulted in a decrease in its hydrophobic interaction with the binding pocket. In particular, protonation altered the orientation of the alicyclic rings in the hydrophobic pocket, thus impeding the formation of key halogen bond and eventually leading to a huge change in anti-HIV-1 RT activity. These results provided theoretical and experimental basis for the subsequent structural modification of pyridinone compounds.展开更多
文摘Mass transfer characteristics have been investigated in a 113 mm diameter asymmetric rotating disk contactor of the pilot plant scale for two different liquid–liquid systems. The effects of operating parameters including rotor speed and continuous and dispersed phase velocities on the volumetric overall mass transfer coefficients are investigated. The results show that the mass transfer performance is strongly dependent on agitation rate and interfacial tension, but only slightly dependent on phase flow rates. In this study, effective diffusivity is used instead of molecular diffusivity in the Grober equation for estimation of dispersed phase overall mass transfer coefficient.The enhancement factor is determined experimentally and there from an empirical expression is derived for prediction of the enhancement factor as a function of Reynolds number. The predicted results compared to the experimental data show that the proposed correlation can efficiently predict the overall mass transfer coefficients in asymmetric rotating disk contactors.
文摘In this paper, an improved PI （proportional integral） stator resistance estimation for a DTC （direct torque controlled） induction motor is proposed. This estimation method is based on an on-line stator resistance correction regarding the variations of the stator current estimation error. In fact, the input variable of the P1 estimator is the stator current estimation error. The main idea is to tune accurately the stator resistance value relatively to the evolution of the stator current estimation error gradient to avoid the drive instability and ensure the tracking of the actual value of the stator resistance. But there is an unavoidable steady state error between the filtered stator current modulus and its estimated value from the dq model of the machine which is due to pseudo random commutations of the inverter switches. This may deteriorate the performance of the proposed fuzzy stator resistance estimator. An offset has been introduced in order to overcome this problem, for different speed command values and load torques. Simulation results show that the proposed estimator was able to successfully track the actual value of the stator resistance lbr different operating conditions.
基金National Natural Science Foundation of China(Grant No.21172014,20972011,21042009,21272017 and 81172917)Grants from the Ministry of Science and Technology of China(Grant No.2009ZX09301-010)
文摘HIV-1 reverse transcriptase（RT） inhibitors are major components of HAART（highly active antiviral therapy）. The S-DABOs（dihydro-alkylthio-benzyl-oxopyrimidines） series and their similar skeletons have exhibited preferable activities to inhibit HIV-1 RT. In the present study, we generated field-based QSAR models using common structure alignment, which was characterized by Gaussian steric, electrostatic, hydrophobic, hydrogen bond donor, hydrogen bond acceptor and aromatic ring fields（R2 = 0.8421, RCV2 = 0.5949 for the training set, Q2 = 0.5486, Pearson-r = 0.7460 for the test set）. Docking, pocket surface and contour map analyses were carried out. Key pharmacophore features were investigated, including（i） π-π interaction with residue Tyr181, Tyr188 and Trp229, σ-π interaction with His236,（ii） hydrogen bond with residue Lys101 and halogen bond with residue Tyr188. The docking analysis and field-based QSAR models could provide reasonable guidance in the rational design of potent HIV-1 RT inhibitors.
基金The National Natural Science Foundation of China(Grant No.21172014,20972011 and 21042009)
文摘Among the structurally diverse NNRTIs, pyridinone scaffolds demonstrate high potency against HIV-1 wild type and drug-resistant strains. During the optimization of our pyridinone compound 1（LAM-trans）, we found that the introduction of the N atoms in the C-4 position could dramatically improve the water solubility（7b）, whereas protonation of the piperidine N atom resulted in a decrease in its hydrophobic interaction with the binding pocket. In particular, protonation altered the orientation of the alicyclic rings in the hydrophobic pocket, thus impeding the formation of key halogen bond and eventually leading to a huge change in anti-HIV-1 RT activity. These results provided theoretical and experimental basis for the subsequent structural modification of pyridinone compounds.
