The constant Centrifugal potential approximation is Corrected so as to apply to the reactions of rotational excited reactants for D + H2 (j,, νi = 0 ) -DH(jf, νf = 0) + H. Our results show that the contributions fro...The constant Centrifugal potential approximation is Corrected so as to apply to the reactions of rotational excited reactants for D + H2 (j,, νi = 0 ) -DH(jf, νf = 0) + H. Our results show that the contributions from ji≠0 and Ωi terms are not negligible.展开更多
<div style="text-align:justify;"> <span style="font-family:Verdana;">The purpose of this study was to evaluate a planning strategy based on Acuros with density override in comparison wi...<div style="text-align:justify;"> <span style="font-family:Verdana;">The purpose of this study was to evaluate a planning strategy based on Acuros with density override in comparison with AAA without and with the override. Ten lung-tumor patients were selected with each PTV size around 2 - 4 cm and were imaged using slow scan, followed by four-dimensional (4D) imag</span><span style="font-family:Verdana;">ing limited to the target. On each phase-specific image, gross tumor </span><span style="font-family:Verdana;">volume (GTV) was contoured. Summed over all phases, an integrated GTV (iGTV) was generated and copied to the slow scan. A treatment plan was created using a dynamic-conformal-arc technique with AAA to prescribe 60 Gy to 95% of PTV (iGTV + 0.5 cm). Each AAA-based plan was regenerated by overriding the density of the setup margin of PTV by GTV density (modeling tumor-position uncertainty). It was also regenerated with Acuros and the override. The three plans were validated in 4D dose to PTV, after similarly overriding PTV density (phase-specific), accurately calculating with Acuros, and summing the phase-specific plans through organ/dose registration. The Acuros-based plan with the override, the AAA-based plan, and the AAA-based plan with the override provided 4D PTV doses of 63.9, 67.9, and 62 Gy at D95%, respectively, averaged over all patients. The override with Acuros and AAA produced lesser 4D doses, closer to the associated 3D doses, respectively, than that without the override, with better conformity and inhomogeneity. With the override in common, Acuros provided a greater dose to PTV than that by AAA. The Acuros with the override, which was more accurate than the AAA without the override, is clinically recommended.</span> </div>展开更多
The paper refers to the behavior of a vaneless diffuser of a radial flow pump in partial flow operating conditions. Some experimental data have been obtained using 2D/2C PIV and unsteady pressure measurements within t...The paper refers to the behavior of a vaneless diffuser of a radial flow pump in partial flow operating conditions. Some experimental data have been obtained using 2D/2C PIV and unsteady pressure measurements within the diffuser, in various operating conditions. The experimental results at the lower flow rate are compared with two-dimensional numerical calculations.展开更多
A novel chiral resolution method for racemic 1-(pyridin-2-yl)ethylamine(PEA)was developed in this study.Sequential conversion of 1-(pyridin-2-yl)ethylamine to 1-(pyridin-2-yl)-N-((4R)-1,7,7-trimethylbicyclo[2.2.1]hept...A novel chiral resolution method for racemic 1-(pyridin-2-yl)ethylamine(PEA)was developed in this study.Sequential conversion of 1-(pyridin-2-yl)ethylamine to 1-(pyridin-2-yl)-N-((4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene)ethylamine(PIC)and to dichloro{(E)-1-(pyridin-2-yl)-N-(1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene)ethylamine}zinc(PIC-Zn)allowed for the spontaneous separation of dichloro{(1R,E)-1-(pyridin-2-yl)-N-(1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene)ethylamine}zinc(RE-PIC-Zn)and dichloro{(1S,E)-1-(pyridin-2-yl)-N-(1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene)ethylamine}zinc(SE-PIC-Zn)by fractional crystallization.The overall yields of both(S)-and(R)-PEA were 24.8%with estimated ee values of 98 and 99%,respectively.The preferred formation of diastereopure crystals over that of diastereomeric mixture crystals was interrogated by comparing the cohesive energies(Ecoh)of the respective crystals,as obtained via DFT calculations under periodic boundary conditions with a plane wave basis set based on the experimentally determined X-ray crystallographic structure.The Ecoh values of diastereopure SE-PIC-Zn and RE-PIC-Zn were−45.8 and−44.4 kcal mol^(−1),respectively.The Ecoh values of the diastereomeric mixture crystal(RE-PIC-Zn·SE-PIC-Zn·2CHCl3)and its virtual counterpart lacking CHCl3(RE-PIC-Zn·SE-PIC-Zn)were−56.0 and−37.2 kcal mol^(−1),respectively.These data provided the background underlying the spontaneous segregation of the diastereopure crystals where the energy preference for forming diastereopure crystals over their corresponding diastereomeric mixture crystals is ca.8 kcal mol^(−1).展开更多
文摘The constant Centrifugal potential approximation is Corrected so as to apply to the reactions of rotational excited reactants for D + H2 (j,, νi = 0 ) -DH(jf, νf = 0) + H. Our results show that the contributions from ji≠0 and Ωi terms are not negligible.
文摘<div style="text-align:justify;"> <span style="font-family:Verdana;">The purpose of this study was to evaluate a planning strategy based on Acuros with density override in comparison with AAA without and with the override. Ten lung-tumor patients were selected with each PTV size around 2 - 4 cm and were imaged using slow scan, followed by four-dimensional (4D) imag</span><span style="font-family:Verdana;">ing limited to the target. On each phase-specific image, gross tumor </span><span style="font-family:Verdana;">volume (GTV) was contoured. Summed over all phases, an integrated GTV (iGTV) was generated and copied to the slow scan. A treatment plan was created using a dynamic-conformal-arc technique with AAA to prescribe 60 Gy to 95% of PTV (iGTV + 0.5 cm). Each AAA-based plan was regenerated by overriding the density of the setup margin of PTV by GTV density (modeling tumor-position uncertainty). It was also regenerated with Acuros and the override. The three plans were validated in 4D dose to PTV, after similarly overriding PTV density (phase-specific), accurately calculating with Acuros, and summing the phase-specific plans through organ/dose registration. The Acuros-based plan with the override, the AAA-based plan, and the AAA-based plan with the override provided 4D PTV doses of 63.9, 67.9, and 62 Gy at D95%, respectively, averaged over all patients. The override with Acuros and AAA produced lesser 4D doses, closer to the associated 3D doses, respectively, than that without the override, with better conformity and inhomogeneity. With the override in common, Acuros provided a greater dose to PTV than that by AAA. The Acuros with the override, which was more accurate than the AAA without the override, is clinically recommended.</span> </div>
文摘The paper refers to the behavior of a vaneless diffuser of a radial flow pump in partial flow operating conditions. Some experimental data have been obtained using 2D/2C PIV and unsteady pressure measurements within the diffuser, in various operating conditions. The experimental results at the lower flow rate are compared with two-dimensional numerical calculations.
基金supported by the Basic Science Research Program through the National Research Foundation of Korea(NRF-2017R1D1A3B03030670)the National Research Foundation of Korea(NRF)grant funded by the Korea Government(2015R1D1A1A01058566 and 2018R1D1A1B07049976)supported by the Korea Institute of Science and Technology Information with supercomputing resources including technical support(KSC-2016-C2-0049 and KSC-2017-C2-0040).
文摘A novel chiral resolution method for racemic 1-(pyridin-2-yl)ethylamine(PEA)was developed in this study.Sequential conversion of 1-(pyridin-2-yl)ethylamine to 1-(pyridin-2-yl)-N-((4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene)ethylamine(PIC)and to dichloro{(E)-1-(pyridin-2-yl)-N-(1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene)ethylamine}zinc(PIC-Zn)allowed for the spontaneous separation of dichloro{(1R,E)-1-(pyridin-2-yl)-N-(1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene)ethylamine}zinc(RE-PIC-Zn)and dichloro{(1S,E)-1-(pyridin-2-yl)-N-(1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene)ethylamine}zinc(SE-PIC-Zn)by fractional crystallization.The overall yields of both(S)-and(R)-PEA were 24.8%with estimated ee values of 98 and 99%,respectively.The preferred formation of diastereopure crystals over that of diastereomeric mixture crystals was interrogated by comparing the cohesive energies(Ecoh)of the respective crystals,as obtained via DFT calculations under periodic boundary conditions with a plane wave basis set based on the experimentally determined X-ray crystallographic structure.The Ecoh values of diastereopure SE-PIC-Zn and RE-PIC-Zn were−45.8 and−44.4 kcal mol^(−1),respectively.The Ecoh values of the diastereomeric mixture crystal(RE-PIC-Zn·SE-PIC-Zn·2CHCl3)and its virtual counterpart lacking CHCl3(RE-PIC-Zn·SE-PIC-Zn)were−56.0 and−37.2 kcal mol^(−1),respectively.These data provided the background underlying the spontaneous segregation of the diastereopure crystals where the energy preference for forming diastereopure crystals over their corresponding diastereomeric mixture crystals is ca.8 kcal mol^(−1).
