To investigate the non-covalent interaction between cyclodextrins （CD） and lithium ion, a stoichiometry of α-CD, β-CD, heptakis（2,6-di-O-methyl）-β-CD （DM-β-CD）, or heptakis（2,3,6-tri-O-methyl）-β-CD （TM-...To investigate the non-covalent interaction between cyclodextrins （CD） and lithium ion, a stoichiometry of α-CD, β-CD, heptakis（2,6-di-O-methyl）-β-CD （DM-β-CD）, or heptakis（2,3,6-tri-O-methyl）-β-CD （TM-β-CD） was mixed with lithium salt, respectively, and then incubated at room temperature for 10 min to reach the equilibrium. In posi- tive mode, the electrospray ionization mass spectrometry （ESI-MS） results demonstrated that lithium ion can conjugate to α-, β-, DM-β- or TM-β-CD and form 1：1 stoichiometric non-covalent complexes. The binding of the complexes was further confirmed by collision- induced dissociation. The dissociation constants Kdl of four complexes （Li＋α-CD, Li＋β- CD, Li＋DM-β-CD, and Li＋TM-β-CD） were determined by mass spectrometric titration. The results showed Kdl were 18.7, 26.7, 33.6, 30.5 μmol/L for the complexes of Li＋ with α-CD, β-CD, DM-β-CD, and TM-β-CD, respectively. Kdl for the Li＋ complexes of/3-CD is smaller than that of DM-β-CD due to its steric effect of the partial substituted -CH3. The Kdl for the Li＋ complexes of DM-β-CD is nearly in agreement with that of TM-β-CD, indicating Li＋ is more likely to locate in the small rim of DM-β-CD＇s hydrophobic cavity. The DFT results showed through electrostatic interaction, one Li＋ can strongly conjugate to four neighboring oxygen atoms. For the （α-CD＋Li）＋ complex, one Li＋ may also situate the small rim of α-CD＇s hydrophobic cavity to form a non-specific host-guest complex.展开更多
To improve prediction accuracy of strip thickness in hot rolling, a kind of Dempster/Shafer(D_S) information reconstitution prediction method(DSIRPM) was presented. DSIRPM basically consisted of three steps to impleme...To improve prediction accuracy of strip thickness in hot rolling, a kind of Dempster/Shafer(D_S) information reconstitution prediction method(DSIRPM) was presented. DSIRPM basically consisted of three steps to implement the prediction of strip thickness. Firstly, iba Analyzer was employed to analyze the periodicity of hot rolling and find three sensitive parameters to strip thickness, which were used to undertake polynomial curve fitting prediction based on least square respectively, and preliminary prediction results were obtained. Then, D_S evidence theory was used to reconstruct the prediction results under different parameters, in which basic probability assignment(BPA) was the key and the proposed contribution rate calculated using grey relational degree was regarded as BPA, which realizes BPA selection objectively. Finally, from this distribution, future strip thickness trend was inferred. Experimental results clearly show the improved prediction accuracy and stability compared with other prediction models, such as GM(1,1) and the weighted average prediction model.展开更多
Recently,more attention have been paid on the construction of dipole moment functions(DMF)using theoretical methods.However,the computational methods to construct DMFs are not validated as much as those for potential ...Recently,more attention have been paid on the construction of dipole moment functions(DMF)using theoretical methods.However,the computational methods to construct DMFs are not validated as much as those for potential energy surfaces do.In this letter,using Ar…He as an example,we tested how spectroscopyaccuracy DMFs can be constructed using ab initio methods.We especially focused on the basis set dependency in this scenario,i.e.,the convergence of DMF with the sizes of basis sets,basis set superposition error,and mid-bond functions.We also tested the explicitly correlated method,which converges with smaller basis sets than the conventional methods do.This work can serve as a pictorial sample of all these computational technologies behaving in the context of constructing DMFs.展开更多
A new analytical expression is presented for the instantaneous power Probability Density Function （PDF） of receiver signals over composite K-u/gamma fading channels. Moreover, the exact expression of channel capacit...A new analytical expression is presented for the instantaneous power Probability Density Function （PDF） of receiver signals over composite K-u/gamma fading channels. Moreover, the exact expression of channel capacity is derived in the form of an infinite series, while an accurate approximation expression is obtained in closed form. To reveal the implications of the model parameters on capacity, we provide an expression for the case of a high-SNR environment. The relationship of the presented results with previously reported results on generalised-K and K fading channels is also discussed. Finally, numerical and simulation results are presented to prove the correctness of our derived expressions.展开更多
By studying different compressive strengths and changes in the characteristics of rocks,five variables were selected to predict faults in coal mines. Drillholes in the mined area were divided into two populations, i.e...By studying different compressive strengths and changes in the characteristics of rocks,five variables were selected to predict faults in coal mines. Drillholes in the mined area were divided into two populations, i.e., drillholes containing faults and drillholes without faults. Discriminant functions were established from the values of the five variables using Fisher's approach. Drillholes in the non-mined areas were allocated to one of the two populations by using discriminant functions. The terrenes of each drillhole were divided into 10 sections, above and below a minable coal seam. Each section has 10 layers of rocks. The population to which each drillhole in a section belongs is sorted out and the probability of each drillhole with faults obtained,i.e., a contour map of predicting the probability of faults in coal mining is shown. A comparison with the real distribution of faults shows that the precision of accurately predicting faults is greater than 70 per cent.展开更多
For series manufacture of pressure sensors, stage of technological tests is performed, related to a definition of the manufacturing accuracy of the sensors. Technological test plan of pressure sensors involves testing...For series manufacture of pressure sensors, stage of technological tests is performed, related to a definition of the manufacturing accuracy of the sensors. Technological test plan of pressure sensors involves testing the sensors on certain fixed temperature and pressure points available in the table. According to a test results, we determine transformation function mathematical model coefficients of sensors and accordance by the claimed accuracy class, of the manufactured sensors. The cost of pressure sensors mostly depends on the cost of this step and determined by the complexity of the used transformation function model. The analysis of a contemporary works associated with the choice of transformation functions for smart pressure sensors. A new proposed indicator of model complexity of a sensor transformation function. In details shown features of the complexity indicator use and given an example. In the article was set and resolved the task to reduce the cost of the tests for commercially available sensors, by reducing the number of temperature points, without compromising the accuracy of the sensor measurement ability.展开更多
An algorithm of hyperspectral remote sensing images classification is proposed based on the frequency spectrum of spectral signature.The spectral signature of each pixel in the hyperspectral image is taken as a discre...An algorithm of hyperspectral remote sensing images classification is proposed based on the frequency spectrum of spectral signature.The spectral signature of each pixel in the hyperspectral image is taken as a discrete signal,and the frequency spectrum is obtained using discrete Fourier transform.The discrepancy of frequency spectrum between ground objects' spectral signatures is visible,thus the difference between frequency spectra of reference and target spectral signature is used to measure the spectral similarity.Canberra distance is introduced to increase the contribution from higher frequency components.Then,the number of harmonics involved in the proposed algorithm is determined after analyzing the frequency spectrum energy cumulative distribution function of ground object.In order to evaluate the performance of the proposed algorithm,two hyperspectral remote sensing images are adopted as experimental data.The proposed algorithm is compared with spectral angle mapper (SAM),spectral information divergence (SID) and Euclidean distance (ED) using the product accuracy,user accuracy,overall accuracy,average accuracy and Kappa coefficient.The results show that the proposed algorithm can be applied to hyperspectral image classification effectively.展开更多
A novel technique to determine the position of spacecraft orbits is proposed. The technique is based on the cross-correlation function of HF SAR images and is able to determine the relative position of orbits with an ...A novel technique to determine the position of spacecraft orbits is proposed. The technique is based on the cross-correlation function of HF SAR images and is able to determine the relative position of orbits with an accuracy of - λ/4 or better, where 2 is the wavelength of the HF radar pulse at its center frequency. The performance of the proposed technique was confirmed by simulation which was carried out under the condition of design facts of the SELENE LRS mission. The highly accurate orbit positioning enables precise superposition of HF SAR images so that the inherent mirror image ambiguity problem of HF SAR imaging is resolved to obtain a quality SAR image of the HF band. In addition ambitious 2D-SAR processing would be possible when the above accuracy is available.展开更多
文摘To investigate the non-covalent interaction between cyclodextrins （CD） and lithium ion, a stoichiometry of α-CD, β-CD, heptakis（2,6-di-O-methyl）-β-CD （DM-β-CD）, or heptakis（2,3,6-tri-O-methyl）-β-CD （TM-β-CD） was mixed with lithium salt, respectively, and then incubated at room temperature for 10 min to reach the equilibrium. In posi- tive mode, the electrospray ionization mass spectrometry （ESI-MS） results demonstrated that lithium ion can conjugate to α-, β-, DM-β- or TM-β-CD and form 1：1 stoichiometric non-covalent complexes. The binding of the complexes was further confirmed by collision- induced dissociation. The dissociation constants Kdl of four complexes （Li＋α-CD, Li＋β- CD, Li＋DM-β-CD, and Li＋TM-β-CD） were determined by mass spectrometric titration. The results showed Kdl were 18.7, 26.7, 33.6, 30.5 μmol/L for the complexes of Li＋ with α-CD, β-CD, DM-β-CD, and TM-β-CD, respectively. Kdl for the Li＋ complexes of/3-CD is smaller than that of DM-β-CD due to its steric effect of the partial substituted -CH3. The Kdl for the Li＋ complexes of DM-β-CD is nearly in agreement with that of TM-β-CD, indicating Li＋ is more likely to locate in the small rim of DM-β-CD＇s hydrophobic cavity. The DFT results showed through electrostatic interaction, one Li＋ can strongly conjugate to four neighboring oxygen atoms. For the （α-CD＋Li）＋ complex, one Li＋ may also situate the small rim of α-CD＇s hydrophobic cavity to form a non-specific host-guest complex.
基金Projects(61174115,51104044)supported by the National Natural Science Foundation of ChinaProject(L2010153)supported by Scientific Research Project of Liaoning Provincial Education Department,China
文摘To improve prediction accuracy of strip thickness in hot rolling, a kind of Dempster/Shafer(D_S) information reconstitution prediction method(DSIRPM) was presented. DSIRPM basically consisted of three steps to implement the prediction of strip thickness. Firstly, iba Analyzer was employed to analyze the periodicity of hot rolling and find three sensitive parameters to strip thickness, which were used to undertake polynomial curve fitting prediction based on least square respectively, and preliminary prediction results were obtained. Then, D_S evidence theory was used to reconstruct the prediction results under different parameters, in which basic probability assignment(BPA) was the key and the proposed contribution rate calculated using grey relational degree was regarded as BPA, which realizes BPA selection objectively. Finally, from this distribution, future strip thickness trend was inferred. Experimental results clearly show the improved prediction accuracy and stability compared with other prediction models, such as GM(1,1) and the weighted average prediction model.
基金supported by the National Natural Science Foundation of China(No.21533003,No.21773081 and No.22073035)。
文摘Recently,more attention have been paid on the construction of dipole moment functions(DMF)using theoretical methods.However,the computational methods to construct DMFs are not validated as much as those for potential energy surfaces do.In this letter,using Ar…He as an example,we tested how spectroscopyaccuracy DMFs can be constructed using ab initio methods.We especially focused on the basis set dependency in this scenario,i.e.,the convergence of DMF with the sizes of basis sets,basis set superposition error,and mid-bond functions.We also tested the explicitly correlated method,which converges with smaller basis sets than the conventional methods do.This work can serve as a pictorial sample of all these computational technologies behaving in the context of constructing DMFs.
基金supported by the National NatNatural Science Foundation of China under Grants No. 61132003,No. 61101237the Open Research Fund of National Mobile Communications Research Laboratory,Southeast University under Grant No. 2012D07
文摘A new analytical expression is presented for the instantaneous power Probability Density Function （PDF） of receiver signals over composite K-u/gamma fading channels. Moreover, the exact expression of channel capacity is derived in the form of an infinite series, while an accurate approximation expression is obtained in closed form. To reveal the implications of the model parameters on capacity, we provide an expression for the case of a high-SNR environment. The relationship of the presented results with previously reported results on generalised-K and K fading channels is also discussed. Finally, numerical and simulation results are presented to prove the correctness of our derived expressions.
基金Project 40772198 supported by the National Natural Science Foundation of China
文摘By studying different compressive strengths and changes in the characteristics of rocks,five variables were selected to predict faults in coal mines. Drillholes in the mined area were divided into two populations, i.e., drillholes containing faults and drillholes without faults. Discriminant functions were established from the values of the five variables using Fisher's approach. Drillholes in the non-mined areas were allocated to one of the two populations by using discriminant functions. The terrenes of each drillhole were divided into 10 sections, above and below a minable coal seam. Each section has 10 layers of rocks. The population to which each drillhole in a section belongs is sorted out and the probability of each drillhole with faults obtained,i.e., a contour map of predicting the probability of faults in coal mining is shown. A comparison with the real distribution of faults shows that the precision of accurately predicting faults is greater than 70 per cent.
文摘For series manufacture of pressure sensors, stage of technological tests is performed, related to a definition of the manufacturing accuracy of the sensors. Technological test plan of pressure sensors involves testing the sensors on certain fixed temperature and pressure points available in the table. According to a test results, we determine transformation function mathematical model coefficients of sensors and accordance by the claimed accuracy class, of the manufactured sensors. The cost of pressure sensors mostly depends on the cost of this step and determined by the complexity of the used transformation function model. The analysis of a contemporary works associated with the choice of transformation functions for smart pressure sensors. A new proposed indicator of model complexity of a sensor transformation function. In details shown features of the complexity indicator use and given an example. In the article was set and resolved the task to reduce the cost of the tests for commercially available sensors, by reducing the number of temperature points, without compromising the accuracy of the sensor measurement ability.
基金supported by the National Basic Research Program of China ("973" Program) (Grant No. 2010CB950800)International S&T Cooperation Program of China (Grant No. 2010DFA21880)China Postdoctoral Science Foundation (Grant No. 2012M510053)
文摘An algorithm of hyperspectral remote sensing images classification is proposed based on the frequency spectrum of spectral signature.The spectral signature of each pixel in the hyperspectral image is taken as a discrete signal,and the frequency spectrum is obtained using discrete Fourier transform.The discrepancy of frequency spectrum between ground objects' spectral signatures is visible,thus the difference between frequency spectra of reference and target spectral signature is used to measure the spectral similarity.Canberra distance is introduced to increase the contribution from higher frequency components.Then,the number of harmonics involved in the proposed algorithm is determined after analyzing the frequency spectrum energy cumulative distribution function of ground object.In order to evaluate the performance of the proposed algorithm,two hyperspectral remote sensing images are adopted as experimental data.The proposed algorithm is compared with spectral angle mapper (SAM),spectral information divergence (SID) and Euclidean distance (ED) using the product accuracy,user accuracy,overall accuracy,average accuracy and Kappa coefficient.The results show that the proposed algorithm can be applied to hyperspectral image classification effectively.
基金supported by the Basic Research Project, "Development of New Geological Technology for Tracing Earth and Planetary Evolution" of the Korea Institute of Geoscience and Mineral Resources (KIGAM)
文摘A novel technique to determine the position of spacecraft orbits is proposed. The technique is based on the cross-correlation function of HF SAR images and is able to determine the relative position of orbits with an accuracy of - λ/4 or better, where 2 is the wavelength of the HF radar pulse at its center frequency. The performance of the proposed technique was confirmed by simulation which was carried out under the condition of design facts of the SELENE LRS mission. The highly accurate orbit positioning enables precise superposition of HF SAR images so that the inherent mirror image ambiguity problem of HF SAR imaging is resolved to obtain a quality SAR image of the HF band. In addition ambitious 2D-SAR processing would be possible when the above accuracy is available.
