Based on the number of snow cover days （NSCDs） and homogenized surface air temperature data for the period 1951-2004, this study performs the quantitative analysis on the sensitivity of NSCDs to surface air temperat...Based on the number of snow cover days （NSCDs） and homogenized surface air temperature data for the period 1951-2004, this study performs the quantitative analysis on the sensitivity of NSCDs to surface air temperature over the Qinghai-Tibetan Plateau （QTP）. Results show that both the extreme sensitivity and sensitivity under current climate are higher in the edge than in the central area of the QTP. There exists a strong negative correlation between station＇s elevation and critical temperature, at which the sensitivity reaches extremum. The negative correlation between the elevation and the extreme sensitivity is not as strong as the former one. Currently, the climatological temperatures in quite a few stations do not reach the critical stage. The sensitivity at these stations will become greater under the current background of climate warming, which means NSCDs will be more sensitive to surface air temperature.展开更多
Fourier transform ion cyclotron resonance mass spectrometry(FT-ICR MS) has become a powerful tool for analyzing the detailed composition of petroleum samples. However, the correlation between the numerous peaks obtain...Fourier transform ion cyclotron resonance mass spectrometry(FT-ICR MS) has become a powerful tool for analyzing the detailed composition of petroleum samples. However, the correlation between the numerous peaks obtained by FT-ICR MS and bulk properties of petroleum samples is still a challenge. In this study, the internal standard method was applied for the quantitative analysis of four straight-run vacuum gas oils(VGO) by atmospheric pressure photoionization(APPI) FT-ICR MS. The heteroatom class distribution of these VGO samples turned to be different when the concentration changed. Linear relationship between the normalized abundance and the concentration of VGO samples was identified for the total aromatic compounds, aromatic hydrocarbons, S1 and N1 species. The differences of the response factors were also discussed. The sulfur contents of a series of crude oils were proved to be linear with the FT-ICR MS data calibrated by the response factor of S1 species. This study demonstrated the feasibility of the internal standard method in quantitative analysis with APPI FT-ICR MS, and the bulk properties of petroleum samples could be correlated directly with the FT-ICR MS data.展开更多
Transthyretin(TTR),a plasma protein with a tetramer structure,could form amyloid fibril associated with several human diseases through the dissociation of tetramer and the misfolding of monomer.These amyloidogenesis c...Transthyretin(TTR),a plasma protein with a tetramer structure,could form amyloid fibril associated with several human diseases through the dissociation of tetramer and the misfolding of monomer.These amyloidogenesis can be inhibited by small molecules which bind to the central channel of TTR.A number of small molecules like 2-arylbenzoxazoles(ABZ)analogues are proposed as promising therapeutic strategy to treat amyloidosis.In this work,comparative molecular field analysis(CoMFA)and comparative molecular similarity indices analysis(CoMSIA)three-dimensional quantitative structure-activity relationship(3D-QSAR)and docking studies were performed on series of 2-arylbenzoxazoles(ABZ)and linker-Y analogues to investigate the inhibitory activities of TTR amyloidogenesis at atomic level.Significant correlation coefficients for ABZ series(CoMFA,r2=0.877,q2=0.431;CoMSIA,r2=0.836,q2=0.447)and those for linker-Y series(CoMFA,r2=0.828,q2=0.522;CoMSIA,r2=0.800,q2=0.493)were obtained,and the generated models were validated using test sets.In addition,docking studies on 6 compounds binding to TTR were performed to analyze the forward or reverse binding mode and interactions between molecules and TTR.These results from 3D-QSAR and docking studies have great significance for designing novel TTR amyloidogenesis inhibitors in the future.展开更多
基金supported by the National Postdoctoral Scientific Foundation(20080440342)the opening fund from the State Key Laboratory of Cryospheric Sciences,Cold and Arid Regions Environmental and Engineering Research Institute,Chinese Academy of Sciences(SKLCS 08-07)
文摘Based on the number of snow cover days （NSCDs） and homogenized surface air temperature data for the period 1951-2004, this study performs the quantitative analysis on the sensitivity of NSCDs to surface air temperature over the Qinghai-Tibetan Plateau （QTP）. Results show that both the extreme sensitivity and sensitivity under current climate are higher in the edge than in the central area of the QTP. There exists a strong negative correlation between station＇s elevation and critical temperature, at which the sensitivity reaches extremum. The negative correlation between the elevation and the extreme sensitivity is not as strong as the former one. Currently, the climatological temperatures in quite a few stations do not reach the critical stage. The sensitivity at these stations will become greater under the current background of climate warming, which means NSCDs will be more sensitive to surface air temperature.
基金supported by the Major State Basic Research Development Program of China(973 Program,No.2012CB224801)
文摘Fourier transform ion cyclotron resonance mass spectrometry(FT-ICR MS) has become a powerful tool for analyzing the detailed composition of petroleum samples. However, the correlation between the numerous peaks obtained by FT-ICR MS and bulk properties of petroleum samples is still a challenge. In this study, the internal standard method was applied for the quantitative analysis of four straight-run vacuum gas oils(VGO) by atmospheric pressure photoionization(APPI) FT-ICR MS. The heteroatom class distribution of these VGO samples turned to be different when the concentration changed. Linear relationship between the normalized abundance and the concentration of VGO samples was identified for the total aromatic compounds, aromatic hydrocarbons, S1 and N1 species. The differences of the response factors were also discussed. The sulfur contents of a series of crude oils were proved to be linear with the FT-ICR MS data calibrated by the response factor of S1 species. This study demonstrated the feasibility of the internal standard method in quantitative analysis with APPI FT-ICR MS, and the bulk properties of petroleum samples could be correlated directly with the FT-ICR MS data.
基金supported by the National Natural Science Foundation of China(21072018)the Fundamental Research Funds for the Central Universities(ZY1213)the Foundation of State Key Laboratory of Natural and Biomimetic Drugs(K20120202)
文摘Transthyretin(TTR),a plasma protein with a tetramer structure,could form amyloid fibril associated with several human diseases through the dissociation of tetramer and the misfolding of monomer.These amyloidogenesis can be inhibited by small molecules which bind to the central channel of TTR.A number of small molecules like 2-arylbenzoxazoles(ABZ)analogues are proposed as promising therapeutic strategy to treat amyloidosis.In this work,comparative molecular field analysis(CoMFA)and comparative molecular similarity indices analysis(CoMSIA)three-dimensional quantitative structure-activity relationship(3D-QSAR)and docking studies were performed on series of 2-arylbenzoxazoles(ABZ)and linker-Y analogues to investigate the inhibitory activities of TTR amyloidogenesis at atomic level.Significant correlation coefficients for ABZ series(CoMFA,r2=0.877,q2=0.431;CoMSIA,r2=0.836,q2=0.447)and those for linker-Y series(CoMFA,r2=0.828,q2=0.522;CoMSIA,r2=0.800,q2=0.493)were obtained,and the generated models were validated using test sets.In addition,docking studies on 6 compounds binding to TTR were performed to analyze the forward or reverse binding mode and interactions between molecules and TTR.These results from 3D-QSAR and docking studies have great significance for designing novel TTR amyloidogenesis inhibitors in the future.
