Based on micro-displacement measurement principles of the spherical differential capacitance sensor, the relationship between the capacitance variation and the micro-displacement of each pair of detecting electrodes f...Based on micro-displacement measurement principles of the spherical differential capacitance sensor, the relationship between the capacitance variation and the micro-displacement of each pair of detecting electrodes for the superconducting gyroscope （SCG） with eight detecting electrodes is analyzed. The model of the SCG rotor drift is established through dimensionless processing, linearization within micro-displacement and the least-square approach. Both the measurement scheme of the SCG rotor drift based on the model and its parameter relationship are presented. To guarantee the potential of the suspension rotor to be zero, the distributing scheme of four pairs of detecting electrodes is presented. The scheme can measure the magnitude and the direction of the rotor drift. The negative factors for affecting the measurement precision of .the SCG rotor drift and simulation results of the total effects are given. Simulation results show that the distributing capacitance of these differential capacitance sensors, the zero potential of the rotor and the model error are the major negative factors. The methods for eliminating those negative factors and the application range of the model are given. The model ensures the relationship between the output voltage and the rotor drift be linear.展开更多
The mechanism of the nucleotidyl transfer reaction catalyzed by yeast RNA polymerase I1 has been investigated using molec- ular mechanics and quantum mechanics methods. Molecular dynamics （MD） simulations were carri...The mechanism of the nucleotidyl transfer reaction catalyzed by yeast RNA polymerase I1 has been investigated using molec- ular mechanics and quantum mechanics methods. Molecular dynamics （MD） simulations were carried out using the TIP3 water model and generalized solvent boundary potential （GSBP） by CHARMM based on the X-ray crystal structure. Two models of the ternary elongation complex were constructed based on CHARMM MD calculations. All the species including reactants, transition states, intermediates, and products were optimized using the DFT-PBE method coupled with the basis set DZVP and the auxiliary basis set GEN-A2. Three pathways were explored using the DFT method. The most favorable reaction pathway involves indirect proton migration from the RNA primer 3＇-OH to the oxygen atom of a-phosphate via a solvent water mole- cule, proton rotation from the oxygen atom of a-phosphate to the 13-phosphate side, the RNA primer 3＇-O nucleophilic attack on the a-phosphorus atom, and P-O bond breakage. The corresponding reaction potential profile was obtained. The rate limit- ing step, with a barrier height of 21.5 kcal/mol, is the RNA primer 3＇-0 nucleophilic attack, rather than the commonly consid- ered proton transfer process. A high-resolution crystal structure including crystallographic water molecules is required for fur- ther studies.展开更多
文摘Based on micro-displacement measurement principles of the spherical differential capacitance sensor, the relationship between the capacitance variation and the micro-displacement of each pair of detecting electrodes for the superconducting gyroscope （SCG） with eight detecting electrodes is analyzed. The model of the SCG rotor drift is established through dimensionless processing, linearization within micro-displacement and the least-square approach. Both the measurement scheme of the SCG rotor drift based on the model and its parameter relationship are presented. To guarantee the potential of the suspension rotor to be zero, the distributing scheme of four pairs of detecting electrodes is presented. The scheme can measure the magnitude and the direction of the rotor drift. The negative factors for affecting the measurement precision of .the SCG rotor drift and simulation results of the total effects are given. Simulation results show that the distributing capacitance of these differential capacitance sensors, the zero potential of the rotor and the model error are the major negative factors. The methods for eliminating those negative factors and the application range of the model are given. The model ensures the relationship between the output voltage and the rotor drift be linear.
基金supported by the Natural Sciences and Engineering Research Council of Canada (10174)the Project-sponsored by SRF for ROCS,SEM
文摘The mechanism of the nucleotidyl transfer reaction catalyzed by yeast RNA polymerase I1 has been investigated using molec- ular mechanics and quantum mechanics methods. Molecular dynamics （MD） simulations were carried out using the TIP3 water model and generalized solvent boundary potential （GSBP） by CHARMM based on the X-ray crystal structure. Two models of the ternary elongation complex were constructed based on CHARMM MD calculations. All the species including reactants, transition states, intermediates, and products were optimized using the DFT-PBE method coupled with the basis set DZVP and the auxiliary basis set GEN-A2. Three pathways were explored using the DFT method. The most favorable reaction pathway involves indirect proton migration from the RNA primer 3＇-OH to the oxygen atom of a-phosphate via a solvent water mole- cule, proton rotation from the oxygen atom of a-phosphate to the 13-phosphate side, the RNA primer 3＇-O nucleophilic attack on the a-phosphorus atom, and P-O bond breakage. The corresponding reaction potential profile was obtained. The rate limit- ing step, with a barrier height of 21.5 kcal/mol, is the RNA primer 3＇-0 nucleophilic attack, rather than the commonly consid- ered proton transfer process. A high-resolution crystal structure including crystallographic water molecules is required for fur- ther studies.
