The paper discusses quantitatively the influence of the Yutian Ms7.4 earthquake of March 21, 2008 and Wuqia Ms6.9 earthquake of October 5, 2008 on regional seismicity in Xinjiang, and explains primarily the possible r...The paper discusses quantitatively the influence of the Yutian Ms7.4 earthquake of March 21, 2008 and Wuqia Ms6.9 earthquake of October 5, 2008 on regional seismicity in Xinjiang, and explains primarily the possible reason of earthquake activity feature in Xinjiang after the Yutian Ms7.4 earthquake by analyzing the static Coulomb failure stress change produced by the Yutian Ms7.4 earthquake and Wuqia Ms6.9 earth-quake, and the seismicity feature of Ms≥3 earthquakes in the positive Coulomb stress change region of Kashi-Wuqia joint region, the central segment of Tianshan Mountain and Kalpin block. The result shows that the Yutian Ms7.4 earthquake of March 21, 2008, may encourage the Wuqia Ms6.9 earth-quake of October 5, 2008, and the Yutian Ms7.4 earthquake and Wuqia Ms6.9 earthquake may change the seismicity state in the central segment of Tianshan Mountain, Kalpin block and Kashi-Wuqia joint region, and encourage the subsequent Ms≥3 earthquakes.展开更多
The human pregnane X receptor（hPXR） plays a critical role in the metabolism, transport and clearance of xenobiotics in the liver and intestine. The hPXR can be activated by a structurally diverse of drugs to initiat...The human pregnane X receptor（hPXR） plays a critical role in the metabolism, transport and clearance of xenobiotics in the liver and intestine. The hPXR can be activated by a structurally diverse of drugs to initiate clinically relevant drug-drug interactions. In this article, in silico investigation was performed on a structurally diverse set of drugs to identify critical structural features greatly related to their agonist activity towards h PXR. Heuristic method（HM）-Best Subset Modeling（BSM） and HM-Polynomial Neural Networks（PNN） were utilized to develop the linear and non-linear quantitative structure-activity relationship models. The applicability domain（AD） of the models was assessed by Williams plot. Statistically reliable models with good predictive power and explain were achieved（for HM-BSM, r^2=0.881, q^2_（LOO）=0.797, q^2_（EXT）=0.674; for HM-PNN, r^2=0.882, q^2_（LOO）=0.856, q^2_（EXT）=0.655）. The developed models indicated that molecular aromatic and electric property, molecular weight and complexity may govern agonist activity of a structurally diverse set of drugs to h PXR.展开更多
Through the accurate determination of hypocenter location, the measurement of the main focal mechanism solutions and the analyses of time dependent processes for Sichuan Mianzhu earthquake sequence with M S=5 0 occurr...Through the accurate determination of hypocenter location, the measurement of the main focal mechanism solutions and the analyses of time dependent processes for Sichuan Mianzhu earthquake sequence with M S=5 0 occurred along the middle segment of Longmenshan fault zone on November 30, 1999, the distribution of focal depth section, the stress release and seismicity features are given to reveal the earthquake-generating structure of the earthquake sequence. The obtained results show the activity features for this sequence as follows: ① There is no obvious foreshock, the accumulated strain energy releases in nearly pulse way, fluctuation of the seismic activity level is not quite evident during the duration of the sequence, and the statistical relation between the large events and the small events is less compatible with the traditional G-R estimation; ② The epicenters of the earthquake sequence are not distributed on the main Longmenshan piedmont faults emerging out ground, but near the hidden Longmenshan piedmont faults. The direction of epicenter distribution is not very coincident with the fault strikes. The microscopic epicenters are relatively far from the macroscopic epicenters. The focal depths range from 5km to 16km; ③ The fractures of focal fault plane with the NE strike appear out the strike-slip displacement with a few overthrust components under the major principal compressive stress of NNE direction. From these, we consider it should be paid more attentions to the underground hidden faults near the ground fault zone on a large scale for their generating earthquake risk.展开更多
Based on regional geological mapping results and interpretation of satellites images and areophotos in combination with detailed field study,this paper gives the spatial distribution of recent surface activity of the ...Based on regional geological mapping results and interpretation of satellites images and areophotos in combination with detailed field study,this paper gives the spatial distribution of recent surface activity of the Ganzi-Yushu fault zone(GYF).According to faulted landform as well as deformation and displacement of young deposit layers,the slip rates of GYF since the late Quaternary are briefly studied,combined with the results of geological chronology(14C and Thermoluminescene dating).The result shows that the average slip rates of GYF is differentiate along different segments:Ganzi segment:horizontal rate is 3.4±0.3 mm/a,vertical rate is 2.2±0.1 mm/a;Manigange segment:horizontal rate is 7.0±0.7 mm/a;Denke segment:horizontal rate is 7.2±1.2 mm/a;Dangjiang segment:horizontal rate is 7.3±0.6 mm/a.展开更多
Free of noble-metal and high in unit internal quantum efficiency of electroluminescence,organic molecules with thermally activated delayed fluorescence(TADF)features pose the potential to substitute metal-based phosph...Free of noble-metal and high in unit internal quantum efficiency of electroluminescence,organic molecules with thermally activated delayed fluorescence(TADF)features pose the potential to substitute metal-based phosphorescence materials and serve as the new-generation emitters for the mass production of organic light emitting diodes(OLEDs)display.Predicting the function of TADF emitters beyond classic chemical synthesis and material characterization experiments remains a great challenge.The advances in deep learning(DL)based artificial intelligence(Al)offer an exciting opportunity for screening high-performance TADF materials through efficiency evaluation.However,data-driven material screening approaches with the capacity to access the excited state properties of TADF emitters remain extremely difficult and largely unaddressed.nspired by the fundamental principle that the excited state properties of TADF molecules are strongly dependent on their D-A geometric and electronic structures,we developed the Electronic Structure-lnfused Network(ESIN)for TADF emitter screening.Designed with capacities of accurate prediction of the photoluminescence quantum yields(PLQYs)of TADF molecules based on elemental molecular geometry and orbital information and integrated with frontier molecular orbitals(FMOs)weightbased representation and modeling features,ESIN is a promising interpretable tool for emission efficiency evaluation and moleculardesign of TADF emitters.展开更多
基金supported by the Joint Seismological Science Foundation of China(No.A07095)Special Public Sector Research(No.20090804)
文摘The paper discusses quantitatively the influence of the Yutian Ms7.4 earthquake of March 21, 2008 and Wuqia Ms6.9 earthquake of October 5, 2008 on regional seismicity in Xinjiang, and explains primarily the possible reason of earthquake activity feature in Xinjiang after the Yutian Ms7.4 earthquake by analyzing the static Coulomb failure stress change produced by the Yutian Ms7.4 earthquake and Wuqia Ms6.9 earth-quake, and the seismicity feature of Ms≥3 earthquakes in the positive Coulomb stress change region of Kashi-Wuqia joint region, the central segment of Tianshan Mountain and Kalpin block. The result shows that the Yutian Ms7.4 earthquake of March 21, 2008, may encourage the Wuqia Ms6.9 earth-quake of October 5, 2008, and the Yutian Ms7.4 earthquake and Wuqia Ms6.9 earthquake may change the seismicity state in the central segment of Tianshan Mountain, Kalpin block and Kashi-Wuqia joint region, and encourage the subsequent Ms≥3 earthquakes.
基金supported by grants from the Natural Science Research Project of Institution of Higher Education of Jiangsu Province(No.11KJB180006)National Natural Science Foundation of China(No.21277074 and No.81302458)
文摘The human pregnane X receptor（hPXR） plays a critical role in the metabolism, transport and clearance of xenobiotics in the liver and intestine. The hPXR can be activated by a structurally diverse of drugs to initiate clinically relevant drug-drug interactions. In this article, in silico investigation was performed on a structurally diverse set of drugs to identify critical structural features greatly related to their agonist activity towards h PXR. Heuristic method（HM）-Best Subset Modeling（BSM） and HM-Polynomial Neural Networks（PNN） were utilized to develop the linear and non-linear quantitative structure-activity relationship models. The applicability domain（AD） of the models was assessed by Williams plot. Statistically reliable models with good predictive power and explain were achieved（for HM-BSM, r^2=0.881, q^2_（LOO）=0.797, q^2_（EXT）=0.674; for HM-PNN, r^2=0.882, q^2_（LOO）=0.856, q^2_（EXT）=0.655）. The developed models indicated that molecular aromatic and electric property, molecular weight and complexity may govern agonist activity of a structurally diverse set of drugs to h PXR.
文摘Through the accurate determination of hypocenter location, the measurement of the main focal mechanism solutions and the analyses of time dependent processes for Sichuan Mianzhu earthquake sequence with M S=5 0 occurred along the middle segment of Longmenshan fault zone on November 30, 1999, the distribution of focal depth section, the stress release and seismicity features are given to reveal the earthquake-generating structure of the earthquake sequence. The obtained results show the activity features for this sequence as follows: ① There is no obvious foreshock, the accumulated strain energy releases in nearly pulse way, fluctuation of the seismic activity level is not quite evident during the duration of the sequence, and the statistical relation between the large events and the small events is less compatible with the traditional G-R estimation; ② The epicenters of the earthquake sequence are not distributed on the main Longmenshan piedmont faults emerging out ground, but near the hidden Longmenshan piedmont faults. The direction of epicenter distribution is not very coincident with the fault strikes. The microscopic epicenters are relatively far from the macroscopic epicenters. The focal depths range from 5km to 16km; ③ The fractures of focal fault plane with the NE strike appear out the strike-slip displacement with a few overthrust components under the major principal compressive stress of NNE direction. From these, we consider it should be paid more attentions to the underground hidden faults near the ground fault zone on a large scale for their generating earthquake risk.
文摘Based on regional geological mapping results and interpretation of satellites images and areophotos in combination with detailed field study,this paper gives the spatial distribution of recent surface activity of the Ganzi-Yushu fault zone(GYF).According to faulted landform as well as deformation and displacement of young deposit layers,the slip rates of GYF since the late Quaternary are briefly studied,combined with the results of geological chronology(14C and Thermoluminescene dating).The result shows that the average slip rates of GYF is differentiate along different segments:Ganzi segment:horizontal rate is 3.4±0.3 mm/a,vertical rate is 2.2±0.1 mm/a;Manigange segment:horizontal rate is 7.0±0.7 mm/a;Denke segment:horizontal rate is 7.2±1.2 mm/a;Dangjiang segment:horizontal rate is 7.3±0.6 mm/a.
基金supported by the National Natural Science Foundation of China(52173282 and 21935005)the National Key R&D Program of China(2020YFA0714601)+2 种基金Guangdong Basic and Applied Basic Research Foundation(No.2022A1515140078)Jihua Laboratory(X190321TF190 and X210221TP210)Foshan Science and Technology Innovation Team Special Project(1920001000128)。
文摘Free of noble-metal and high in unit internal quantum efficiency of electroluminescence,organic molecules with thermally activated delayed fluorescence(TADF)features pose the potential to substitute metal-based phosphorescence materials and serve as the new-generation emitters for the mass production of organic light emitting diodes(OLEDs)display.Predicting the function of TADF emitters beyond classic chemical synthesis and material characterization experiments remains a great challenge.The advances in deep learning(DL)based artificial intelligence(Al)offer an exciting opportunity for screening high-performance TADF materials through efficiency evaluation.However,data-driven material screening approaches with the capacity to access the excited state properties of TADF emitters remain extremely difficult and largely unaddressed.nspired by the fundamental principle that the excited state properties of TADF molecules are strongly dependent on their D-A geometric and electronic structures,we developed the Electronic Structure-lnfused Network(ESIN)for TADF emitter screening.Designed with capacities of accurate prediction of the photoluminescence quantum yields(PLQYs)of TADF molecules based on elemental molecular geometry and orbital information and integrated with frontier molecular orbitals(FMOs)weightbased representation and modeling features,ESIN is a promising interpretable tool for emission efficiency evaluation and moleculardesign of TADF emitters.
