By mRNA differential display from control versus NaCl_shocked Arabidopsis seedlings, we screened an Arabidopsis 3′ partial cDNA, which represents a gene encoding inositol 1,3,4_trisphosphate (Ins(1,3,4)P ...By mRNA differential display from control versus NaCl_shocked Arabidopsis seedlings, we screened an Arabidopsis 3′ partial cDNA, which represents a gene encoding inositol 1,3,4_trisphosphate (Ins(1,3,4)P 3) 5/6_kinase_like protein. Northern blotting analysis showed that the gene, named as AtITL1, is strongly induced by NaCl and low temperature, but not induced by drought and abscisic acid (ABA). Analysis of 5′ region of the AtITL1 found that there are dehydration_responsive element/C_repeat (DRE/CRT) cis _acting elements, but no elements related to G_box and ABRE (ABA_responsive element) in its 5′ region, which is consistent with the expression patterns of the AtITL1 independent of ABA. These results suggest that the AtITL1 may be involved in the osmotic stress response pathway independent of ABA.展开更多
For classifying unknown 3-D objects into a set of predetermined object classes, a part-level object classification method based on the improved interpretation tree is presented. The part-level representation is implem...For classifying unknown 3-D objects into a set of predetermined object classes, a part-level object classification method based on the improved interpretation tree is presented. The part-level representation is implemented, which enables a more compact shape description of 3-D objects. The proposed classification method consists of two key processing stages: the improved constrained search on an interpretation tree and the following shape similarity measure computation. By the classification method, both whole match and partial match with shape similarity ranks are achieved; especially, focus match can be accomplished, where different key parts may be labeled and all the matched models containing corresponding key parts may be obtained. A series of experiments show the effectiveness of the presented 3-D object classification method.展开更多
Based on previous research results, this paper investigated the influence of fracture morphology on mechanical properties and failure modes of rock mass with two diagonal intersected fractures. This study carried out ...Based on previous research results, this paper investigated the influence of fracture morphology on mechanical properties and failure modes of rock mass with two diagonal intersected fractures. This study carried out a series of triaxial compression tests on rock-like specimens with two crossed fractures under negative temperature, concluded the following conclusions. The strength and failure modes of rock mass are significantly influenced by the dips of two crossed fractures. The strength of rock mass with two frac- tures cannot simply be estimated using the method that was developed for the rock mass with a single fracture. When the intersecting angle is less than 30~, the failure plane initiates at the tip of "artificial rup- tures" and extends to the upper and lower ends of the specimen. In case of a higher dip and intersecting angle ranging from 30° to 60°, the failure plane propagates along one of these two fractures. The mechan- lca! parameters of rock mass are not only related to the trace length, but also depend on the trace !ength ratio. One could roughly calculate the strength parameters using the approximation proposed in.this paper..For the rock mass with a trace length ratio 〈0.3 (short trace length/long trace length), the failure mode is dependent on the fracture with a longer trace length. When the trace length becomes significant and the trace length ratio approximates to 1, the failure plane propagates along two fractures, where an X-shaped.failure pattern is presented: For the rock mass with moderate frac!ures and a trace length ratio of approxlmately 1, the failure mode Is.Independent on fractures, which is simllar to .the damage pattern of intact rock. The strength, and elastic .modulus of rock mass decrease with the increase of spacing between fractures, whl!e Polsson's ratio is Independent on the spacing. The failure mode can be deter- mined by the area. of triangle created by two fractures. Damage occurs at the smaller triangle area first, and propagates with the two sides of the larger triangle.展开更多
We investigate the dynamics of resonant Raman scattering in the course of the frequency de- tuning. The dephasing in the time domain makes the scattering fast when the photon energy is tuned from the absorption resona...We investigate the dynamics of resonant Raman scattering in the course of the frequency de- tuning. The dephasing in the time domain makes the scattering fast when the photon energy is tuned from the absorption resonance. This makes frequency detuning to act as a camera shutter with a regulated scattering duration and provides a practical tool of controlling the scattering time in ordinary stationary measurements. The theory is applied to resonant Raman spectra of a couple of few-mode model systems and to trans-1,3,5-hexatriene and guanine-cytosine (G-C) Watson-Crick base pairs (DNA) molecules. Besides some particular physical effects, the regime of fast scattering leads to a simplification of the spectrum as well as to the scattering theory itself. Strong overtones appear in the Raman spectra when the photon frequency is tuned in the resonant region, while in the mode of fast scattering, the overtones are gradually quenched when the photon frequency is tuned more than one vibra- tional quantum below the first absorption resonance. The detuning from the resonant region thus leads to a strong purification of the Raman spectrum from the contamination by higher overtones and soft modes and purifies the spectrum also in terms of avoidance of dissociation and interfering fluorescence decay of the resonant state. This makes frequency detuning a very useful practical tool in the analysis of the resonant Raman spectra of complex systems and considerably improves the prospects for using the Raman effect for detection of foreign substances at ultra-low concentrations.展开更多
Spatial distribution of soil salinity can be estimated based on its environmental factors because soil salinity is strongly affected and indicated by environmental factors. Different with other properties such as soil...Spatial distribution of soil salinity can be estimated based on its environmental factors because soil salinity is strongly affected and indicated by environmental factors. Different with other properties such as soil texture, soil salinity varies with short-term time. Thus, how to choose powerful environmental predictors is especially important for soil salinity. This paper presents a similarity-based prediction approach to map soil salinity and detects powerful environmental predictors for the Huanghe(Yellow) River Delta area in China. The similarity-based approach predicts the soil salinities of unsampled locations based on the environmental similarity between unsampled and sampled locations. A dataset of 92 points with salt data at depth of 30–40 cm was divided into two subsets for prediction and validation. Topographical parameters, soil textures, distances to irrigation channels and to the coastline, land surface temperature from Moderate Resolution Imaging Spectroradiometer(MODIS), Normalized Difference Vegetation Indices(NDVIs) and land surface reflectance data from Landsat Thematic Mapper(TM) imagery were generated. The similarity-based prediction approach was applied on several combinations of different environmental factors. Based on three evaluation indices including the correlation coefficient(CC) between observed and predicted values, the mean absolute error and the root mean squared error we found that elevation, distance to irrigation channels, soil texture, night land surface temperature, NDVI, and land surface reflectance Band 5 are the optimal combination for mapping soil salinity at the 30–40 cm depth in the study area(with a CC value of 0.69 and a root mean squared error value of 0.38). Our results indicated that the similarity-based prediction approach could be a vital alternative to other methods for mapping soil salinity, especially for area with limited observation data and could be used to monitor soil salinity distributions in the future.展开更多
General solutions for coupled three dimensional equations of piezoelectric media were used in this work to obtain some analytical solutions for free vibration of piezoelectric annular plates. These solutions not only...General solutions for coupled three dimensional equations of piezoelectric media were used in this work to obtain some analytical solutions for free vibration of piezoelectric annular plates. These solutions not only satisfy the governing equations at every point in the concerned region but also satisfy the prescribed boundary conditions at every point on the boundaries. Therefore, they are three-dimensional exact. Numerical results are finally tabulated.展开更多
In this article we will present pure three dimensional analytic solutions for the Navier-Stokes and the continuity equations in Cartesian coordinates. The key idea is the three-dimensional generalization of the well-k...In this article we will present pure three dimensional analytic solutions for the Navier-Stokes and the continuity equations in Cartesian coordinates. The key idea is the three-dimensional generalization of the well-known self-similar Ansatz of Barenblatt. A geometrical interpretation of the Ansatz is given also. The results are the Kummer functions or strongly related. Our final formula is compared with other results obtained from group theoretical approaches.展开更多
From the mathematical principles, the generalized potential theory can be employed to create constitutive model of geomaterial directly. The similar Cam-clay model, which is created based on the generalized potential ...From the mathematical principles, the generalized potential theory can be employed to create constitutive model of geomaterial directly. The similar Cam-clay model, which is created based on the generalized potential theory, has less assumptions,clearer mathematical basis, and better computational accuracy. Theoretically, it is more scientific than the traditional Cam-clay models. The particle flow code PFC3 D was used to make numerical tests to verify the rationality and practicality of the similar Cam-clay model. The verification process was as follows: 1) creating the soil sample for numerical test in PFC3 D, and then simulating the conventional triaxial compression test, isotropic compression test, and isotropic unloading test by PFC3D; 2)determining the parameters of the similar Cam-clay model from the results of above tests; 3) predicting the sample's behavior in triaxial tests under different stress paths by the similar Cam-clay model, and comparing the predicting results with predictions by the Cam-clay model and the modified Cam-clay model. The analysis results show that the similar Cam-clay model has relatively high prediction accuracy, as well as good practical value.展开更多
Starting from the known variable separation excitations of a(2 + 1)-dimensional generalized Ablowitz-Kaup-Newell-Segur system,rich coherent structures can be derived.The interactions among different types of solitary ...Starting from the known variable separation excitations of a(2 + 1)-dimensional generalized Ablowitz-Kaup-Newell-Segur system,rich coherent structures can be derived.The interactions among different types of solitary waves like peakons,dromions,and compactons are investigated and some novel features or interesting behaviors are revealed.The results show that the interactions for peakon-dromion,compacton-dromion,and peakon-compacton may be completely nonelastic or completely elastic.展开更多
The flow field of 3D (three-dimensional) wall-jet is investigated. Jet-blast from airplane is simulated by wall-jet setup using a sonic nozzle at a laboratory scale. Farfield velocity and fluctuation distributions a...The flow field of 3D (three-dimensional) wall-jet is investigated. Jet-blast from airplane is simulated by wall-jet setup using a sonic nozzle at a laboratory scale. Farfield velocity and fluctuation distributions are measured by using X-type hot wire anemometer at four measurement planes. As a result, the flow properties of streamwise component are consistent with data which are obtained in previous researches. The secondary flow is also measured on each measurement plane. Reynolds stresses, v'v' and w' w', are analyzed from the fluctuation of the secondary flow. The law of similarity is observed in the dimensionless distributions of mean velocity and fluctuation. However, the distributions in nearer field (i.e., in the measurement plane at X/D = 100) tend to disobey the similarity law, especially in the cases of fluctuation. It seems that jet-blast is not fully developed by reaching X/D = 100. The experimental results are compared with computational results which are obtained by CFD (computational fluid dynamics) with SST (shear-stress transport) turbulence model. And it is shown that the results by the simulation with SST turbulence model do not follow the similarity law. The present database of the Reynolds stresses is critically important for development of a new turbulence model of RANS (reynolds-averaged navier-atokes) simulations on wall-jet.展开更多
In the osmotic dehydration process of food,on-line estimation of concentrations of two components in ternary solution with NaCl and sucrose was performed based on multi-functional sensing technique.Moving Least Square...In the osmotic dehydration process of food,on-line estimation of concentrations of two components in ternary solution with NaCl and sucrose was performed based on multi-functional sensing technique.Moving Least Squares were adopted in approximation procedure to estimate the viscosity of such interested ternary solution with the given data set.As a result,in one mode of using total experimental data as calibration data and validation data,the relative deviations of estimated viscosities are less than ±1.24%.In the other mode,by taking total experimental data except the ones for estimation as calibration data,the relative deviations are less than ±3.47%.In the same way,the density of ternary solution can be also estimated with deviations less than ± 0.11% and ± 0.30% respectively in these two models.The satisfactory and accurate results show the extraordinary efficiency of Moving Least Squares behaved in signal approximation for multi-functional sensors.展开更多
In this letter, starting from a B?cklund transformation, a general solution of a (2+1)-dimensional integrable system is obtained by using the new variable separation approach.
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
With the best trigonometric polynomial approximation as a metric, the rate of approxi- mation of the one-hidden-layer feedforward neural networks to approximate an integrable function is estimated by using a construct...With the best trigonometric polynomial approximation as a metric, the rate of approxi- mation of the one-hidden-layer feedforward neural networks to approximate an integrable function is estimated by using a constructive approach in this paper. The obtained result shows that for any 2π-periodic integrable function, a neural networks with sigmoidal hidden neuron can be constructed to approximate the function, and that the rate of approximation do not exceed the double of the best trigonometric polynomial approximation of function.展开更多
In this paper, we discuss the Lipschitz equivalence of self-similar sets with triangular pattern. This is a generalization of {1, 3, 5}-{1, 4, 5} problem proposed by David and Semmes. It is proved that if two such sel...In this paper, we discuss the Lipschitz equivalence of self-similar sets with triangular pattern. This is a generalization of {1, 3, 5}-{1, 4, 5} problem proposed by David and Semmes. It is proved that if two such self-similar sets are totally disconnected, then they are Lipschitz equivalent if and only if they have the same Hausdorff dimension.展开更多
Based on the modification of the simplified coherent potential approximation (SCPA), a model is developed to calculate the composition dependence of the band gap energy of Ⅲ-V ternary alloys with the same anion. Th...Based on the modification of the simplified coherent potential approximation (SCPA), a model is developed to calculate the composition dependence of the band gap energy of Ⅲ-V ternary alloys with the same anion. The derived equation is used to fit the experimental band gap energy of InxAl1-xN, InxGa1-xN and A1xGal xN with x from 0 to 1. It is found that the fitting results are better than those done by using SCPA. The fitting results are also better than those obtained by using the formula with a small bowing coefficient, especially for InxAl1-xN. In addition, our model can also be used to describe the composition de- pendence of band gap energy of other Ⅲ-V ternary alloys.展开更多
文摘By mRNA differential display from control versus NaCl_shocked Arabidopsis seedlings, we screened an Arabidopsis 3′ partial cDNA, which represents a gene encoding inositol 1,3,4_trisphosphate (Ins(1,3,4)P 3) 5/6_kinase_like protein. Northern blotting analysis showed that the gene, named as AtITL1, is strongly induced by NaCl and low temperature, but not induced by drought and abscisic acid (ABA). Analysis of 5′ region of the AtITL1 found that there are dehydration_responsive element/C_repeat (DRE/CRT) cis _acting elements, but no elements related to G_box and ABRE (ABA_responsive element) in its 5′ region, which is consistent with the expression patterns of the AtITL1 independent of ABA. These results suggest that the AtITL1 may be involved in the osmotic stress response pathway independent of ABA.
基金The National Basic Research Program of China(973Program)(No2006CB303105)the Research Foundation of Bei-jing Jiaotong University (NoK06J0170)
文摘For classifying unknown 3-D objects into a set of predetermined object classes, a part-level object classification method based on the improved interpretation tree is presented. The part-level representation is implemented, which enables a more compact shape description of 3-D objects. The proposed classification method consists of two key processing stages: the improved constrained search on an interpretation tree and the following shape similarity measure computation. By the classification method, both whole match and partial match with shape similarity ranks are achieved; especially, focus match can be accomplished, where different key parts may be labeled and all the matched models containing corresponding key parts may be obtained. A series of experiments show the effectiveness of the presented 3-D object classification method.
文摘Based on previous research results, this paper investigated the influence of fracture morphology on mechanical properties and failure modes of rock mass with two diagonal intersected fractures. This study carried out a series of triaxial compression tests on rock-like specimens with two crossed fractures under negative temperature, concluded the following conclusions. The strength and failure modes of rock mass are significantly influenced by the dips of two crossed fractures. The strength of rock mass with two frac- tures cannot simply be estimated using the method that was developed for the rock mass with a single fracture. When the intersecting angle is less than 30~, the failure plane initiates at the tip of "artificial rup- tures" and extends to the upper and lower ends of the specimen. In case of a higher dip and intersecting angle ranging from 30° to 60°, the failure plane propagates along one of these two fractures. The mechan- lca! parameters of rock mass are not only related to the trace length, but also depend on the trace !ength ratio. One could roughly calculate the strength parameters using the approximation proposed in.this paper..For the rock mass with a trace length ratio 〈0.3 (short trace length/long trace length), the failure mode is dependent on the fracture with a longer trace length. When the trace length becomes significant and the trace length ratio approximates to 1, the failure plane propagates along two fractures, where an X-shaped.failure pattern is presented: For the rock mass with moderate frac!ures and a trace length ratio of approxlmately 1, the failure mode Is.Independent on fractures, which is simllar to .the damage pattern of intact rock. The strength, and elastic .modulus of rock mass decrease with the increase of spacing between fractures, whl!e Polsson's ratio is Independent on the spacing. The failure mode can be deter- mined by the area. of triangle created by two fractures. Damage occurs at the smaller triangle area first, and propagates with the two sides of the larger triangle.
文摘We investigate the dynamics of resonant Raman scattering in the course of the frequency de- tuning. The dephasing in the time domain makes the scattering fast when the photon energy is tuned from the absorption resonance. This makes frequency detuning to act as a camera shutter with a regulated scattering duration and provides a practical tool of controlling the scattering time in ordinary stationary measurements. The theory is applied to resonant Raman spectra of a couple of few-mode model systems and to trans-1,3,5-hexatriene and guanine-cytosine (G-C) Watson-Crick base pairs (DNA) molecules. Besides some particular physical effects, the regime of fast scattering leads to a simplification of the spectrum as well as to the scattering theory itself. Strong overtones appear in the Raman spectra when the photon frequency is tuned in the resonant region, while in the mode of fast scattering, the overtones are gradually quenched when the photon frequency is tuned more than one vibra- tional quantum below the first absorption resonance. The detuning from the resonant region thus leads to a strong purification of the Raman spectrum from the contamination by higher overtones and soft modes and purifies the spectrum also in terms of avoidance of dissociation and interfering fluorescence decay of the resonant state. This makes frequency detuning a very useful practical tool in the analysis of the resonant Raman spectra of complex systems and considerably improves the prospects for using the Raman effect for detection of foreign substances at ultra-low concentrations.
基金Under the auspices of Special Fund for Ocean Public Welfare Profession Scientific Research(No.201105020)National Natural Science Foundation of China(No.41471178,41023010,41431177)National Key Technology Innovation Project for Water Pollution Control and Remediation(No.2013ZX07103006)
文摘Spatial distribution of soil salinity can be estimated based on its environmental factors because soil salinity is strongly affected and indicated by environmental factors. Different with other properties such as soil texture, soil salinity varies with short-term time. Thus, how to choose powerful environmental predictors is especially important for soil salinity. This paper presents a similarity-based prediction approach to map soil salinity and detects powerful environmental predictors for the Huanghe(Yellow) River Delta area in China. The similarity-based approach predicts the soil salinities of unsampled locations based on the environmental similarity between unsampled and sampled locations. A dataset of 92 points with salt data at depth of 30–40 cm was divided into two subsets for prediction and validation. Topographical parameters, soil textures, distances to irrigation channels and to the coastline, land surface temperature from Moderate Resolution Imaging Spectroradiometer(MODIS), Normalized Difference Vegetation Indices(NDVIs) and land surface reflectance data from Landsat Thematic Mapper(TM) imagery were generated. The similarity-based prediction approach was applied on several combinations of different environmental factors. Based on three evaluation indices including the correlation coefficient(CC) between observed and predicted values, the mean absolute error and the root mean squared error we found that elevation, distance to irrigation channels, soil texture, night land surface temperature, NDVI, and land surface reflectance Band 5 are the optimal combination for mapping soil salinity at the 30–40 cm depth in the study area(with a CC value of 0.69 and a root mean squared error value of 0.38). Our results indicated that the similarity-based prediction approach could be a vital alternative to other methods for mapping soil salinity, especially for area with limited observation data and could be used to monitor soil salinity distributions in the future.
文摘General solutions for coupled three dimensional equations of piezoelectric media were used in this work to obtain some analytical solutions for free vibration of piezoelectric annular plates. These solutions not only satisfy the governing equations at every point in the concerned region but also satisfy the prescribed boundary conditions at every point on the boundaries. Therefore, they are three-dimensional exact. Numerical results are finally tabulated.
文摘In this article we will present pure three dimensional analytic solutions for the Navier-Stokes and the continuity equations in Cartesian coordinates. The key idea is the three-dimensional generalization of the well-known self-similar Ansatz of Barenblatt. A geometrical interpretation of the Ansatz is given also. The results are the Kummer functions or strongly related. Our final formula is compared with other results obtained from group theoretical approaches.
基金Projects(51378131,51378403)supported by the National Natural Science Foundation of ChinaProject(2012210020203)supported by the Fundamental Research Funds for the Central Universities,China
文摘From the mathematical principles, the generalized potential theory can be employed to create constitutive model of geomaterial directly. The similar Cam-clay model, which is created based on the generalized potential theory, has less assumptions,clearer mathematical basis, and better computational accuracy. Theoretically, it is more scientific than the traditional Cam-clay models. The particle flow code PFC3 D was used to make numerical tests to verify the rationality and practicality of the similar Cam-clay model. The verification process was as follows: 1) creating the soil sample for numerical test in PFC3 D, and then simulating the conventional triaxial compression test, isotropic compression test, and isotropic unloading test by PFC3D; 2)determining the parameters of the similar Cam-clay model from the results of above tests; 3) predicting the sample's behavior in triaxial tests under different stress paths by the similar Cam-clay model, and comparing the predicting results with predictions by the Cam-clay model and the modified Cam-clay model. The analysis results show that the similar Cam-clay model has relatively high prediction accuracy, as well as good practical value.
文摘Starting from the known variable separation excitations of a(2 + 1)-dimensional generalized Ablowitz-Kaup-Newell-Segur system,rich coherent structures can be derived.The interactions among different types of solitary waves like peakons,dromions,and compactons are investigated and some novel features or interesting behaviors are revealed.The results show that the interactions for peakon-dromion,compacton-dromion,and peakon-compacton may be completely nonelastic or completely elastic.
文摘The flow field of 3D (three-dimensional) wall-jet is investigated. Jet-blast from airplane is simulated by wall-jet setup using a sonic nozzle at a laboratory scale. Farfield velocity and fluctuation distributions are measured by using X-type hot wire anemometer at four measurement planes. As a result, the flow properties of streamwise component are consistent with data which are obtained in previous researches. The secondary flow is also measured on each measurement plane. Reynolds stresses, v'v' and w' w', are analyzed from the fluctuation of the secondary flow. The law of similarity is observed in the dimensionless distributions of mean velocity and fluctuation. However, the distributions in nearer field (i.e., in the measurement plane at X/D = 100) tend to disobey the similarity law, especially in the cases of fluctuation. It seems that jet-blast is not fully developed by reaching X/D = 100. The experimental results are compared with computational results which are obtained by CFD (computational fluid dynamics) with SST (shear-stress transport) turbulence model. And it is shown that the results by the simulation with SST turbulence model do not follow the similarity law. The present database of the Reynolds stresses is critically important for development of a new turbulence model of RANS (reynolds-averaged navier-atokes) simulations on wall-jet.
基金Sponsored by the National Natural Science Foundation of China(Grant No.60672008)the Space Technology Innovation Foundation of China
文摘In the osmotic dehydration process of food,on-line estimation of concentrations of two components in ternary solution with NaCl and sucrose was performed based on multi-functional sensing technique.Moving Least Squares were adopted in approximation procedure to estimate the viscosity of such interested ternary solution with the given data set.As a result,in one mode of using total experimental data as calibration data and validation data,the relative deviations of estimated viscosities are less than ±1.24%.In the other mode,by taking total experimental data except the ones for estimation as calibration data,the relative deviations are less than ±3.47%.In the same way,the density of ternary solution can be also estimated with deviations less than ± 0.11% and ± 0.30% respectively in these two models.The satisfactory and accurate results show the extraordinary efficiency of Moving Least Squares behaved in signal approximation for multi-functional sensors.
文摘In this letter, starting from a B?cklund transformation, a general solution of a (2+1)-dimensional integrable system is obtained by using the new variable separation approach.
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This paper was supported by the National Basic Research Program of China (973 Program) under Grant No. 2007CB311000, the Natural Science Foundation of China under Grant Nos. 11001227, 60972155, 10701062, the Key Project of Chinese Ministry of Education under Grant No. 108176, Natural Science Foundation Project of CQ CSTC Nos. CSTC 2009BB2306, CSTC2009BB2305, the Fundamental Research Funds for the Central Universities under Grant No. XDJK2010B005, XDJK2010C023.
文摘With the best trigonometric polynomial approximation as a metric, the rate of approxi- mation of the one-hidden-layer feedforward neural networks to approximate an integrable function is estimated by using a constructive approach in this paper. The obtained result shows that for any 2π-periodic integrable function, a neural networks with sigmoidal hidden neuron can be constructed to approximate the function, and that the rate of approximation do not exceed the double of the best trigonometric polynomial approximation of function.
基金supported by National Natural Science of China (Grant Nos. 11071224, 11071082, 11071090, 10671180, 10631040)Natural Science Foundation of Ningbo (Grant No. 2009A610077)+1 种基金the Fundamental Research Funds for the Central Universities, SCUTthe Science Foundation for the Youth of South China University of Technology (Grant No. E5090470)
文摘In this paper, we discuss the Lipschitz equivalence of self-similar sets with triangular pattern. This is a generalization of {1, 3, 5}-{1, 4, 5} problem proposed by David and Semmes. It is proved that if two such self-similar sets are totally disconnected, then they are Lipschitz equivalent if and only if they have the same Hausdorff dimension.
基金supported by the Special Funds for Major State Basic Research Project (Grant No. 2011CB301900)the National Natural Science Foundation of China (Grant No. 60990311)
文摘Based on the modification of the simplified coherent potential approximation (SCPA), a model is developed to calculate the composition dependence of the band gap energy of Ⅲ-V ternary alloys with the same anion. The derived equation is used to fit the experimental band gap energy of InxAl1-xN, InxGa1-xN and A1xGal xN with x from 0 to 1. It is found that the fitting results are better than those done by using SCPA. The fitting results are also better than those obtained by using the formula with a small bowing coefficient, especially for InxAl1-xN. In addition, our model can also be used to describe the composition de- pendence of band gap energy of other Ⅲ-V ternary alloys.