Numerical models of trajectories of small aerosol spheres relative to oblate spheroids were used to determine ice crystal scavenging efficiencies. The models included the effects of aerodynamic flow about the ice part...Numerical models of trajectories of small aerosol spheres relative to oblate spheroids were used to determine ice crystal scavenging efficiencies. The models included the effects of aerodynamic flow about the ice particle, gravity, aerosol particle inertia and drag and electrostatic effects. Two electric configurations of the ice particle were investigated in detail. The first applied a net charge to the ice particle, of magnitude equal to the mean thunderstorm charge distribution, while the second applied a charge distribution, with no net charge, to the ice particle to model the electric multipole charge distribution. The results show that growing ice crystals with electric multipoles are better scavengers than single ice crystals with net thunderstorm charges, especially in the Greenfield gap (0.1 to 1.0 um), and that larger single crystals are better scavengers than smaller single crystals. The results also show that the low density ice crystals are more effective scavengers with net charges than they are with charge distribution.展开更多
The DPPH scavenging ability of soymilk fermented with lactic acid bacteria under different fermentation conditions were investigated in this paper. According to the result, the optimal combination of starter species w...The DPPH scavenging ability of soymilk fermented with lactic acid bacteria under different fermentation conditions were investigated in this paper. According to the result, the optimal combination of starter species was S. thermophilus, L. plantarum and L. helveticus at a ratio of 2∶1.5∶1.5. The optimal fermentation parameters were temperature of 37 ℃, solids content of 12% and fermentation time of 6 h.Under above conditions, the fermented soymilk showed the highest ability to scavenge DPPH free radicals（84.3%）. Besides, the radical scavenging ability of fermented soymilk was compared with that of Baiyu lactone soymilk and bean curd which were coagulated by chemical method. The result indicated that the scavenging rate of lactone bean curd of Baiyu lactone soymilk and bean curd was only32.1% and 23.2%. According to the comparison, the free radical scavenging ability of soymilk was significantly improved by lactic acid fermentation. This product which had no beany flavor would be beneficial to human health.展开更多
A single-sweep oscillopolarographic procedure is descrital which allows detethenahon of rateconstants for reachons of oH. For a wide range of compounds, the results fit well with rate constantspreviously obtained with...A single-sweep oscillopolarographic procedure is descrital which allows detethenahon of rateconstants for reachons of oH. For a wide range of compounds, the results fit well with rate constantspreviously obtained with other methods. Rate constants for reactions of six kinds of active compoundscontalned in rheum, a tradihonal Chinese herb, have been deteboned by this method. Rcationmechanism ha5 also been discussed.展开更多
The G3 and CBS-QB3 theoretical methods are employed to study the decomposition of CF3OH into FCFO and HF by water, water dimmer, and ammonia. The decomposition of CF3OH into FCFO and HF is unlikely to occur in the atm...The G3 and CBS-QB3 theoretical methods are employed to study the decomposition of CF3OH into FCFO and HF by water, water dimmer, and ammonia. The decomposition of CF3OH into FCFO and HF is unlikely to occur in the atmosphere due to the high activated energy of 88.7 k J/mol at the G3 level of theory. However, the computed results predict that the barrier for unimolecular decomposition of CF3OH is decreased to 25.1 kJ/mol from 188.7 k J/mol with the aid of NH3 at the G3 level of theory, which shows that the ammonia play a strong catalytic effect on the split of CF3OH. In addition, the calculated rate constants show that the decomposition of CF3OH by NH3 is faster than those of H2O and the water dimmer by 10^9 and 10^5 times respectively. The rate constants combined with the corresponding concentrations of these species demonstrate that the reaction CF3OH with NH3 via TS4 is of great importance for the decomposition of CF3OH in the atmosphere.展开更多
采用CCSD(T)//B3LYP/6-311+G(d,p)方法研究了Criegee中间体CH_3CHOO与OH自由基反应的微观机理.结果表明,上述反应存在抽氢、加成-分解和氧化3类反应通道,其中,syn-CH3CHOO+OH以抽β-H为优势通道,表观活化能为-4.88 k J/mol;anti-CH_3CHO...采用CCSD(T)//B3LYP/6-311+G(d,p)方法研究了Criegee中间体CH_3CHOO与OH自由基反应的微观机理.结果表明,上述反应存在抽氢、加成-分解和氧化3类反应通道,其中,syn-CH3CHOO+OH以抽β-H为优势通道,表观活化能为-4.88 k J/mol;anti-CH_3CHOO+OH则以加成-分解反应为优势通道,表观活化能为-13.25 k J/mol.在加成-分解和氧化反应通道中,anti-构象的能垒均低于syn-构象,而抽氢反应则是syn-(β-H)的能垒低于anti-构象.速率常数计算表明,anti-构象的加成-分解反应通道具有显著的负温度效应;syn-和anti-构象的氧化通道具有显著的正温度效应.3类反应具有显著不同的温度效应,说明通过改变温度可显著调节3类反应的相对速率.展开更多
文摘Numerical models of trajectories of small aerosol spheres relative to oblate spheroids were used to determine ice crystal scavenging efficiencies. The models included the effects of aerodynamic flow about the ice particle, gravity, aerosol particle inertia and drag and electrostatic effects. Two electric configurations of the ice particle were investigated in detail. The first applied a net charge to the ice particle, of magnitude equal to the mean thunderstorm charge distribution, while the second applied a charge distribution, with no net charge, to the ice particle to model the electric multipole charge distribution. The results show that growing ice crystals with electric multipoles are better scavengers than single ice crystals with net thunderstorm charges, especially in the Greenfield gap (0.1 to 1.0 um), and that larger single crystals are better scavengers than smaller single crystals. The results also show that the low density ice crystals are more effective scavengers with net charges than they are with charge distribution.
基金Supported by Key Technology Research and Development Program of Tianjin(11ZCKNC01800)~~
文摘The DPPH scavenging ability of soymilk fermented with lactic acid bacteria under different fermentation conditions were investigated in this paper. According to the result, the optimal combination of starter species was S. thermophilus, L. plantarum and L. helveticus at a ratio of 2∶1.5∶1.5. The optimal fermentation parameters were temperature of 37 ℃, solids content of 12% and fermentation time of 6 h.Under above conditions, the fermented soymilk showed the highest ability to scavenge DPPH free radicals（84.3%）. Besides, the radical scavenging ability of fermented soymilk was compared with that of Baiyu lactone soymilk and bean curd which were coagulated by chemical method. The result indicated that the scavenging rate of lactone bean curd of Baiyu lactone soymilk and bean curd was only32.1% and 23.2%. According to the comparison, the free radical scavenging ability of soymilk was significantly improved by lactic acid fermentation. This product which had no beany flavor would be beneficial to human health.
文摘A single-sweep oscillopolarographic procedure is descrital which allows detethenahon of rateconstants for reachons of oH. For a wide range of compounds, the results fit well with rate constantspreviously obtained with other methods. Rate constants for reactions of six kinds of active compoundscontalned in rheum, a tradihonal Chinese herb, have been deteboned by this method. Rcationmechanism ha5 also been discussed.
基金This work was supported by the National Natural Science Foundation of China （No.10865003） and the Guizhou University for Nationalities （2010）. The authors thank professors W. T. Duncan, R. L. Bell, and T. N. Truong or providing the rate program through the internet.
文摘The G3 and CBS-QB3 theoretical methods are employed to study the decomposition of CF3OH into FCFO and HF by water, water dimmer, and ammonia. The decomposition of CF3OH into FCFO and HF is unlikely to occur in the atmosphere due to the high activated energy of 88.7 k J/mol at the G3 level of theory. However, the computed results predict that the barrier for unimolecular decomposition of CF3OH is decreased to 25.1 kJ/mol from 188.7 k J/mol with the aid of NH3 at the G3 level of theory, which shows that the ammonia play a strong catalytic effect on the split of CF3OH. In addition, the calculated rate constants show that the decomposition of CF3OH by NH3 is faster than those of H2O and the water dimmer by 10^9 and 10^5 times respectively. The rate constants combined with the corresponding concentrations of these species demonstrate that the reaction CF3OH with NH3 via TS4 is of great importance for the decomposition of CF3OH in the atmosphere.
文摘采用CCSD(T)//B3LYP/6-311+G(d,p)方法研究了Criegee中间体CH_3CHOO与OH自由基反应的微观机理.结果表明,上述反应存在抽氢、加成-分解和氧化3类反应通道,其中,syn-CH3CHOO+OH以抽β-H为优势通道,表观活化能为-4.88 k J/mol;anti-CH_3CHOO+OH则以加成-分解反应为优势通道,表观活化能为-13.25 k J/mol.在加成-分解和氧化反应通道中,anti-构象的能垒均低于syn-构象,而抽氢反应则是syn-(β-H)的能垒低于anti-构象.速率常数计算表明,anti-构象的加成-分解反应通道具有显著的负温度效应;syn-和anti-构象的氧化通道具有显著的正温度效应.3类反应具有显著不同的温度效应,说明通过改变温度可显著调节3类反应的相对速率.
