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111.
112.
Inside Cover: Inhibition of Heme Uptake in Pseudomonas aeruginosa by its Hemophore (HasAp) Bound to Synthetic Metal Complexes (Angew. Chem. Int. Ed. 11/2014) 下载免费PDF全文
113.
A multiscale simulation method, "multiscale essential sampling (MSES)," is proposed for calculating free energy surface of proteins in a sizable dimensional space with good scalability. In MSES, the configurational sampling of a full-dimensional model is enhanced by coupling with the accelerated dynamics of the essential degrees of freedom. Applying the Hamiltonian exchange method to MSES can remove the biasing potential from the coupling term, deriving the free energy surface of the essential degrees of freedom. The form of the coupling term ensures good scalability in the Hamiltonian exchange. As a test application, the free energy surface of the folding process of a miniprotein, chignolin, was calculated in the continuum solvent model. Results agreed with the free energy surface derived from the multicanonical simulation. Significantly improved scalability with the MSES method was clearly shown in the free energy calculation of chignolin in explicit solvent, which was achieved without increasing the number of replicas in the Hamiltonian exchange. 相似文献
114.
K. Kikunaga T. Yamamoto Y. Tanaka N. Kikuchi K. Tokiwa T. Watanabe N. Terada 《Physica C: Superconductivity and its Applications》2010,470(21):1916-1919
(Cu, C)–Ba–O thin films have been deposited at low growth temperature of 450–570 °C by pulsed laser deposition method. A control of CO2 gas pressure and the growth temperature, usage of BaCuyOx pellet target resulted in an expansion of twice c-axis length of BaCuO2 structure (2c phase) and a significant rise of conductivity. Measurements of in-situ XPS suggest that the 2c phase should be (Cu, C)Ba2CuOx [(Cu, C)-1201]. The maximum temperature of onset of the superconducting transition and zero resistance state obtained so far were 60 and 47 K, respectively. 相似文献
115.
K. Kikunaga T. Yamamoto Y. Tanaka N. Kikuchi K. Tokiwa T. Watanabe N. Terada 《Physica C: Superconductivity and its Applications》2010,470(17-18):678-681
Transport properties of (Cu, C)Ba2CuOx [(Cu, C)-1201] thin films have been characterized by in situ temperature dependence of resistivity, without breaking vacuum from the deposition to the measurement. In in situ transport properties measurements, the obtained results reveal that (Cu, C)Ba2CuOx films exhibit Tc > 20 K on the cased of conductivity at 290 K (σ[290 K]) > 4 × 102 S/cm and temperature coefficient of resistivity (TCR) > 1.5 × 10?3 K?1, and doping level of them should be in between under-doped and optimally-doped states. Their results suggest that there would be possible to further increases of Tc, and XPS data suggest that (Cu, C)-system should have the excellent dopability in their charge reservoir and the possibility of low anisotropy. 相似文献
116.
The in vitro reactivities of astaxanthin and β-carotene toward peroxynitrite were investigated and the reaction products after scavenging with peroxynitrite were analyzed. A series of carotenoids substituted with nitro group, 14′-s-cis-15′-nitroastaxanthin, 10′-s-cis-11′-cis-11′-nitroastaxanthin, 14′-s-cis-15′-nitro-β-carotene and 10′-s-cis-11′-cis-11′-nitro-β-carotene, were isolated from the reaction products of carotenoids with peroxynitrite. Carotenoids with nitro derivatives were reported for the first time. These results indicated that astaxanthin and β-carotene could catch peroxynitrite or nitrogen dioxide radical (NO2) in their molecule to form nitrocarotenoids. 相似文献
117.
A newly designed axially chiral guanidine is found to function as an effective platform for asymmetric induction at the alpha-carbon of unsymmetrically substituted 1,3-dicarbonyl compounds. Highly efficient and enantioselective electrophilic amination of various 1,3-dicarbonyl compounds with azodicarboxylate was successfully achieved using the present chiral guanidine catalyst, which provides efficient access to the construction of nitrogen-substituted quaternary stereocenters in an optically active form. 相似文献
118.
119.
Stuart D Breedon RE Chinitz LM Ko W Lander RL Rowe J Smith JR Kirk P Cheng CP Gao WX Yan WG Ye MH Abashian A Gotow K Haim D Mattson ME Morgan N Piilonen L Sterner KL Lusin S Rosenfeld C Wang AT Wilson S Zheng LY Fry CA Tanaka R Abe K Fujii Y Kurihara Y Liu F Maki A Nozaki T Omori T Sagawa H Sakai Y Sasaki T Sugimoto Y Takaiwa Y Terada S Walker R Kanda S Olsen SL Ueno K Kajino F Poling R Thomas T Aso T Miyano K Miyata H Oyoshi M Yamashita Y Lee MH Sannes F Schnetzer S Stone R Vinson J Bodek A 《Physical review D: Particles and fields》1994,49(7):3098-3105
120.
Liu F Chinitz LM Abe K Breedon RE Fujii Y Kurihara Y Maki A Nozaki T Omori T Sagawa H Sakai Y Sasaki T Sugimoto Y Takaiwa Y Terada S Kirk P Cheng CP Gao WX Yan WG Ye MH Abashian A Gotow K Mattson ME Piilonen L Sterner KL Lusin S Rosenfeld C Wilson S Zheng LY Fry CA Tanaka R Ko W Lander RL Rowe J Smith JR Stuart D Kanda S Olsen SL Ueno K Kajino F Poling R Thomas T Aso T Miyano K Miyata H Okubo K Oyoshi M Shirai M Yamashita Y Lee MH Sannes F Schnetzer S Stone R Vinson J Bodek A Kim BJ Kumita T 《Physical review D: Particles and fields》1994,49(9):4339-4347