This paper analyzed the pore structure, quantified the pore fractal dimension, calculated the grading index(GI) of mixed aggregate, and studied the relationship among GI, pore structure, and strength to describe the c...This paper analyzed the pore structure, quantified the pore fractal dimension, calculated the grading index(GI) of mixed aggregate, and studied the relationship among GI, pore structure, and strength to describe the cross-scale characteristics of backfill, which is made from stone powder and cemented tailing. A series of experiments were conducted on stone powder cement tailings backfill(SPCTB). The GI formulas for mixed aggregates, containing stone powder and tailings, were derived based on the Füller theory. The nuclear magnetic resonance(NMR) fractal dimensions of backfills were derived using fractal geometry principles. Compared to the mesopore and macropore fractal dimensions, the correlation between micropore fractal dimension and macro-properties in terms of NMR porosity, pore structure complexity, uniaxial compression strength(UCS), and GI is the most significant. Macropore fractal dimension is generally correlated with UCS and GI and the other properties such as the shape of mixed aggregates also have an impact on fractal dimension. However, mesopore fractal dimension has no obvious relationship with macro-properties. Finally, the relationship between GI and UCS was studied, which contributed to improving backfill’s strength and optimizing gradation.展开更多
The typical regions of the Taihu Lake Basin,China,were selected to analyze the variation characteristics of river-lake networks under intensive human activities.The characteristics of the fractal dimension of river ne...The typical regions of the Taihu Lake Basin,China,were selected to analyze the variation characteristics of river-lake networks under intensive human activities.The characteristics of the fractal dimension of river networks and lakes for different periods were investigated and the influences of river system evolution on water level changes were further explored through the comparison of their fractal characters.The results are as follows:1) River network development of the study area is becoming more monotonous and more simple;the number of lakes is reducing significantly,and the water surface ratio has dropped significantly since the 1980s.2) The box dimension of the river networks in all the cities of the study area decreased slowly from the 1960s to the 1980s,while the decrease was significant from the 1980s to the 2000s.The variations of lake correlation dimension are similar to those of the river network box dimensions.This is unfavorable for the storage capacity of the river networks and lakes.3) The Hurst exponents of water levels were all between 0.5 and 1.0 from the 1960s to the 1980s,while decreased in the 2000s,indicating the decline in persistence and increase in the complexity of water level series.The paper draws a conclusion that the relationship between the fractal dimension of river-lake networks and the Hurst exponents of the water level series can reveal the impacts of river system changes on flood disasters to some extent:the disappearance of river networks and lakes will increase the possibility of flood occurrence.展开更多
By introducing a convenient complex form of the α-th 2-dimensional fractional Fourier transform (CFFT) operation we find that it possesses new eigenmodes which are two-mode Hermite polynomials. We prove the eigenvalu...By introducing a convenient complex form of the α-th 2-dimensional fractional Fourier transform (CFFT) operation we find that it possesses new eigenmodes which are two-mode Hermite polynomials. We prove the eigenvalues of propagation in quadratic graded-index medium over a definite distance are the same as the eigenvalues of the α-th CFFT, which means that our definition of the α-th CFFT is physically meaningful.展开更多
Three-dimensional quantitative structure-activity relationship (3D-QSAR) and docking studies of a series of novel dioxopyrrolinyl-amino-pyrimidine derivatives, which are potential dual inhibitors mediating a transcr...Three-dimensional quantitative structure-activity relationship (3D-QSAR) and docking studies of a series of novel dioxopyrrolinyl-amino-pyrimidine derivatives, which are potential dual inhibitors mediating a transcriptional activation towards protein-1 (AP-1) and nuclear factor kappa B (NF-κB), have been carried out. The QS, AR models established by comparative molecular field analysis (CoMFA) and comparative molecular similarity index analysis (CoMSIA) show a good predictive ability with cross-validated coefficients q2 of 0.644 and 0.636, respectively. The docking result shows that there are quite lower average values of the flexible and rigid energy scores on the selected binding sites, meanwhile, it further shows that the binding sites just fall on the joint regions between AP-1 (and NF-κB) and DNA. The reason that these analogues have inhibition function towards AP-I and NF-κB is that their existence on these joint regions can effectively prevent free AP-I and NF-κB from binding to DNA. These results can offer a valuable theoretical reference to the pharmaceutical molecular design as well as the action mechanism analysis.展开更多
Optimal scale is one of the important issues in ecology and geography.Based on land-use data of the Tarim River Basin in Xinjiang of China in the 1950s,regarding the area of land use types as the parameter in scale se...Optimal scale is one of the important issues in ecology and geography.Based on land-use data of the Tarim River Basin in Xinjiang of China in the 1950s,regarding the area of land use types as the parameter in scale selecting,the histograms of the patches in area are charted.Then,by reinforcing the normalized scale variances(NSV) with 3 landscape indi-ces,the scale characteristics of land use in the Tarim River Basin can be summarized.(1) NSV in the Tarim River up to a maximum at scale of 1:50,000 which is considered appropriate for the Tarim River.(2) Diversity indices of saline land are consistent with NSV's.Diversity indices and NSV of sandy land showed that the appropriate scale is in the same scale domain.There is a significant difference between diversity indices and NSV of forestland and shrub-land.(3) Fractal dimension of sandy land and saline land showed a hierarchical structure at a scale of 1:10,000.Fractal dimension of forestland and shrubland are distributed under the same hierarchical structure in the region.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
We present the bound state solution of Schr6dinger equation in D dimensions for quadratic exponential-type potential for arbitrary l-state. We use generalized parametric Nikiforov-Uvarov method to obtain the energy le...We present the bound state solution of Schr6dinger equation in D dimensions for quadratic exponential-type potential for arbitrary l-state. We use generalized parametric Nikiforov-Uvarov method to obtain the energy levels and the corresponding eigenfunction in dosed form. We also compute the energy eigenvalues numerically.展开更多
基金Project(41672298)supported by the National Natural Science Foundation of ChinaProject(2017YFC0602901)supported by the National Key Research and Development Program of China。
文摘This paper analyzed the pore structure, quantified the pore fractal dimension, calculated the grading index(GI) of mixed aggregate, and studied the relationship among GI, pore structure, and strength to describe the cross-scale characteristics of backfill, which is made from stone powder and cemented tailing. A series of experiments were conducted on stone powder cement tailings backfill(SPCTB). The GI formulas for mixed aggregates, containing stone powder and tailings, were derived based on the Füller theory. The nuclear magnetic resonance(NMR) fractal dimensions of backfills were derived using fractal geometry principles. Compared to the mesopore and macropore fractal dimensions, the correlation between micropore fractal dimension and macro-properties in terms of NMR porosity, pore structure complexity, uniaxial compression strength(UCS), and GI is the most significant. Macropore fractal dimension is generally correlated with UCS and GI and the other properties such as the shape of mixed aggregates also have an impact on fractal dimension. However, mesopore fractal dimension has no obvious relationship with macro-properties. Finally, the relationship between GI and UCS was studied, which contributed to improving backfill’s strength and optimizing gradation.
基金Under the auspices of Special Fund for Scientific Research in the Public Interestgranted by Ministry of Water Resources(No.2012010072,200701024)+3 种基金Key Program of National Natural Science Foundation of China(No.40730635)Open Foundation of State Key Laboratory of Hydrology-Water Resources and Hydraulic Engineering(No.2011491111)Research Foundation of Nanjing University of Information Science and Technology(No.20100406)a Project Funded by the Priority Academic Program Development of Jiangsu Higher Education Institutions(PAPD)
文摘The typical regions of the Taihu Lake Basin,China,were selected to analyze the variation characteristics of river-lake networks under intensive human activities.The characteristics of the fractal dimension of river networks and lakes for different periods were investigated and the influences of river system evolution on water level changes were further explored through the comparison of their fractal characters.The results are as follows:1) River network development of the study area is becoming more monotonous and more simple;the number of lakes is reducing significantly,and the water surface ratio has dropped significantly since the 1980s.2) The box dimension of the river networks in all the cities of the study area decreased slowly from the 1960s to the 1980s,while the decrease was significant from the 1980s to the 2000s.The variations of lake correlation dimension are similar to those of the river network box dimensions.This is unfavorable for the storage capacity of the river networks and lakes.3) The Hurst exponents of water levels were all between 0.5 and 1.0 from the 1960s to the 1980s,while decreased in the 2000s,indicating the decline in persistence and increase in the complexity of water level series.The paper draws a conclusion that the relationship between the fractal dimension of river-lake networks and the Hurst exponents of the water level series can reveal the impacts of river system changes on flood disasters to some extent:the disappearance of river networks and lakes will increase the possibility of flood occurrence.
文摘By introducing a convenient complex form of the α-th 2-dimensional fractional Fourier transform (CFFT) operation we find that it possesses new eigenmodes which are two-mode Hermite polynomials. We prove the eigenvalues of propagation in quadratic graded-index medium over a definite distance are the same as the eigenvalues of the α-th CFFT, which means that our definition of the α-th CFFT is physically meaningful.
基金Acknowledgments: The authors are pleased to thank the financial supports of the National Natural Science Foundation of China (Nos.: 20673148 and 90608012). We heartily thank the Molecular Discovery Ltd. for giving us the Dock 6.0 program as a freewarc. The authors are also pleased to thank the College of Life Sciences, Sun Yat-Sen University for the Sybyl 6.9 computation environment support.
文摘Three-dimensional quantitative structure-activity relationship (3D-QSAR) and docking studies of a series of novel dioxopyrrolinyl-amino-pyrimidine derivatives, which are potential dual inhibitors mediating a transcriptional activation towards protein-1 (AP-1) and nuclear factor kappa B (NF-κB), have been carried out. The QS, AR models established by comparative molecular field analysis (CoMFA) and comparative molecular similarity index analysis (CoMSIA) show a good predictive ability with cross-validated coefficients q2 of 0.644 and 0.636, respectively. The docking result shows that there are quite lower average values of the flexible and rigid energy scores on the selected binding sites, meanwhile, it further shows that the binding sites just fall on the joint regions between AP-1 (and NF-κB) and DNA. The reason that these analogues have inhibition function towards AP-I and NF-κB is that their existence on these joint regions can effectively prevent free AP-I and NF-κB from binding to DNA. These results can offer a valuable theoretical reference to the pharmaceutical molecular design as well as the action mechanism analysis.
基金National Natural Science Foundation of China,No.40571030No.40730633
文摘Optimal scale is one of the important issues in ecology and geography.Based on land-use data of the Tarim River Basin in Xinjiang of China in the 1950s,regarding the area of land use types as the parameter in scale selecting,the histograms of the patches in area are charted.Then,by reinforcing the normalized scale variances(NSV) with 3 landscape indi-ces,the scale characteristics of land use in the Tarim River Basin can be summarized.(1) NSV in the Tarim River up to a maximum at scale of 1:50,000 which is considered appropriate for the Tarim River.(2) Diversity indices of saline land are consistent with NSV's.Diversity indices and NSV of sandy land showed that the appropriate scale is in the same scale domain.There is a significant difference between diversity indices and NSV of forestland and shrub-land.(3) Fractal dimension of sandy land and saline land showed a hierarchical structure at a scale of 1:10,000.Fractal dimension of forestland and shrubland are distributed under the same hierarchical structure in the region.
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.
文摘We present the bound state solution of Schr6dinger equation in D dimensions for quadratic exponential-type potential for arbitrary l-state. We use generalized parametric Nikiforov-Uvarov method to obtain the energy levels and the corresponding eigenfunction in dosed form. We also compute the energy eigenvalues numerically.