Six degrees of freedom(6DoF)input interfaces are essential formanipulating virtual objects through translation or rotation in three-dimensional(3D)space.A traditional outside-in tracking controller requires the instal...Six degrees of freedom(6DoF)input interfaces are essential formanipulating virtual objects through translation or rotation in three-dimensional(3D)space.A traditional outside-in tracking controller requires the installation of expensive hardware in advance.While inside-out tracking controllers have been proposed,they often suffer from limitations such as interaction limited to the tracking range of the sensor(e.g.,a sensor on the head-mounted display(HMD))or the need for pose value modification to function as an input interface(e.g.,a sensor on the controller).This study investigates 6DoF pose estimation methods without restricting the tracking range,using a smartphone as a controller in augmented reality(AR)environments.Our approach involves proposing methods for estimating the initial pose of the controller and correcting the pose using an inside-out tracking approach.In addition,seven pose estimation algorithms were presented as candidates depending on the tracking range of the device sensor,the tracking method(e.g.,marker recognition,visual-inertial odometry(VIO)),and whether modification of the initial pose is necessary.Through two experiments(discrete and continuous data),the performance of the algorithms was evaluated.The results demonstrate enhanced final pose accuracy achieved by correcting the initial pose.Furthermore,the importance of selecting the tracking algorithm based on the tracking range of the devices and the actual input value of the 3D interaction was emphasized.展开更多
A series of iron-based Fischer-Tropsch synthesis （FTS） catalysts incorporated with Al2O3 binder were prepared by the combination of co-precipitation and spray drying technology. The catalyst samples were characteriz...A series of iron-based Fischer-Tropsch synthesis （FTS） catalysts incorporated with Al2O3 binder were prepared by the combination of co-precipitation and spray drying technology. The catalyst samples were characterized by using N2 physical adsorption, temperature-programmed reduction/desorption （TPR/TPD） and MSssbauer effect spectroscopy （MES） methods. The characterization results indicated that the BET surface area increases with increasing Al2O3 content and passes through a maximum at the Al2O3/Fe ratio of 10/100 （weight basis）. After the point, it decreases with further increase in Al2O3 content. The incorporation of Al2O3 binder was found to weaken the surface basicity and suppress the reduction and carburization of iron-based catalysts probably due to the strong K-Al2O3 and Fe-Al2O3 interactions. Furthermore, the H2 adsorption ability of the catalysts is enhanced with increasing Al2O3 content. The FTS performances of the catalysts were tested in a slurry-phase continuously stirred tank reactor （CSTR） under the reaction conditions of 260 ℃, 1.5 MPa, 1000 h^-1 and molar ratio of H2/CO 0.67 for 200 h. The results showed that the addition of small amounts of Al2O3 affects the activity of iron-based catalysts to a little extent. However, with further increase of Al2O3 content, the FTS activity and water gas shift reaction （WGS） activity are decreased severely. The addition of appropriate Al2O3 do not affect the product selectivity, but the catalysts incorporated with large amounts of Al2O3 have higher selectivity for light hydrocarbons and lower selectivity for heavy hydrocarbons.展开更多
Element Sc is a promising candidate for optimizing the high-temperature mechanical properties of Al alloys.In this study,the Sc-solute,Al_(3) Sc-vacancy and Al_(3) Sc-solute interactions in aluminium are inves-tigated...Element Sc is a promising candidate for optimizing the high-temperature mechanical properties of Al alloys.In this study,the Sc-solute,Al_(3) Sc-vacancy and Al_(3) Sc-solute interactions in aluminium are inves-tigated extensively by using first-principles calculations.The correlation between the various interaction energies and the solute atomic size,and the Sc-solute compound formation energy has been evaluated.A negative correlation between the first nearest neighbour Sc-solute binding energies and the lowest Sc-solute compound formation energies has been identified,while the second nearest neighbour Sc-solute binding energies increase monotonically with the solute atomic size.Al_(3) Sc precipitates can bind vacancy strongly at the specific atomic site,but their relatively low number density limits their influence on va-cancy behaviours during the ageing period shortly after quenching.Compared to the atomic size,the trend for solute segregating at the interface between Al_(3) Sc precipitate and Al bulk is more strongly re-lated to the Sc-solute binding energy.The calculated results can clarify the available experimental obser-vations for Al-Sc,Al-Cu,Al-Mg-Si and Al-Zn-Mg-Cu alloys,and it is hoped to guide the design of high-performance Al alloys.展开更多
10,11-Dehydrocurvularin(DCV)is a natural-product macrolide that has been shown to exert anti-inflammatory activity.However,the underlying mechanism of its anti-inflammatory activity remains poorly understood.Aberrant ...10,11-Dehydrocurvularin(DCV)is a natural-product macrolide that has been shown to exert anti-inflammatory activity.However,the underlying mechanism of its anti-inflammatory activity remains poorly understood.Aberrant activation of the NLRP3 inflammasome is involved in diverse inflammation-related diseases,which should be controlled.The results showed that DCV specifically inhibited the activation of the NLRP3 inflammasome in association with reduced IL-1βsecretion and caspase-1 activation,without effect on the NLRC4 and AIM2 inflammasomes.Furthermore,DCV disturbed the interaction between NEK7 and NLRP3,resulting in the inhibition of NLRP3 inflammasome activation.The C=C double bond of DCV was required for the NLRP3 inflammasome inhibition induced by DCV.Importantly,DCV ameliorated inflammation in vivo through inhibiting the NLRP3 inflammasome.Taken together,our study reveals a novel mechanism by which DCV suppresses inflammation,which indicates the potential role of DCV in NLRP3 inflammasome-driven inflammatory disorders.展开更多
We present a method of 3D image mosaicing for real 3D representation of roadside buildings, and implement a Web-based interactive visualization environment for the 3D video mosaics created by 3D image mosaicing. The 3...We present a method of 3D image mosaicing for real 3D representation of roadside buildings, and implement a Web-based interactive visualization environment for the 3D video mosaics created by 3D image mosaicing. The 3D image mo- saicing technique developed in our previous work is a very powerful method for creating textured 3D-GIS data without excessive data processing like the laser or stereo system. For the Web-based open access to the 3D video mosaics, we build an interactive visualization environment using X3D, the emerging standard of Web 3D. We conduct the data preprocessing for 3D video mosaics and the X3D modeling for textured 3D data. The data preprocessing includes the conversion of each frame of 3D video mosaics into concatenated image files that can be hyperlinked on the Web. The X3D modeling handles the representation of concatenated images using necessary X3D nodes. By employing X3D as the data format for 3D image mosaics, the real 3D representation of roadside buildings is extended to the Web and mobile service systems.展开更多
The properties of Mach stems in hypersonic corner flow induced by Mach interaction over 3D intersecting wedges were studied theoretically and numerically.A new method called ＂spatial dimension reduction＂ was used to...The properties of Mach stems in hypersonic corner flow induced by Mach interaction over 3D intersecting wedges were studied theoretically and numerically.A new method called ＂spatial dimension reduction＂ was used to analyze theoretically the location and Mach number behind Mach stems. By using this approach, the problem of 3D steady shock/shock interaction over 3D intersecting wedges was transformed into a 2D moving one on cross sections, which can be solved by shock-polar theory and shock dynamics theory. The properties of Mach interaction over 3D intersecting wedges can be analyzed with the new method,including pressure, temperature, density in the vicinity of triple points, location, and Mach number behind Mach stems.Theoretical results were compared with numerical results,and good agreement was obtained. Also, the influence of Mach number and wedge angle on the properties of a 3D Mach stem was studied.展开更多
A series of CeO2-Co3O4 mixed oxide catalysts with different Co/（Co＋Ce） atomic ratios were synthesized by citric acid sol-gel method and used for catalytic oxidation of formaldehyde（HCHO）. Many techniques such as ...A series of CeO2-Co3O4 mixed oxide catalysts with different Co/（Co＋Ce） atomic ratios were synthesized by citric acid sol-gel method and used for catalytic oxidation of formaldehyde（HCHO）. Many techniques such as Brumauer-Emmett-Teller（BET）, X-ray diffraction（XRD）, scanning electron microscopy（FE-SEM）, temperature programmed reduction（H_2-TPR）, temperature-programmed desorption（O_2-TPD） and X-ray photoelectron spectroscopy（XPS） were used to characterize catalysts. The results of catalytic performance tests showed that the catalyst CeO_2-Co_3O_4 with Co/（Co＋Ce） ratio of 0.95 exhibited the best performance, and the temperature of complete oxidation of HCHO was 80 oC. The analytical results indicated that the addition of CeO_2 enhanced the specific surface area of Co_3O_4 and the fine dispersion of both of them. Moreover, the strong interaction between CeO_2 and Co_3O_4 resulted in the unique redox properties, which enhanced the available surface active oxygen and led to high valence state of cobalt oxide species. All those effects played crucial roles in the excellent performance of CeO_2-Co_3O_4 for the HCHO oxidation.展开更多
The Co3O4 and Zr-,Ce-,and La-Co3O4 catalysts were prepared,characterized,and applied to produce CH4 from CO2 catalytic hydrogenation in low temperature as 140–220℃.The results indicated that the addition of Zr,Ce,or...The Co3O4 and Zr-,Ce-,and La-Co3O4 catalysts were prepared,characterized,and applied to produce CH4 from CO2 catalytic hydrogenation in low temperature as 140–220℃.The results indicated that the addition of Zr,Ce,or La to the Co3O4 decreased the crystallite sizes of Co and the outer-shell electron density of Co^3＋,and increased the specific surface area,which would provide more active sites for the CO2 methanation.Especially,the addition of Zr also changed the reducing state of Co3O4 via an obvious change in the interaction between Co3O4 and ZrO2.Furthermore,Zr doped into the Co3O4 increased the basic intensity of the weak and medium basic sites,as well as the amount of Lewis acid sites,and Bronsted acid sites were also found on the Zr-Co3O4 surface.The introduction of Zr,Ce,or La favored the production of CH4,and the Zr-Co3O4catalyst exhibited the highest CO2 conversion（58.2%）and CH4 selectivity（100%）at 200℃,and 0.5 MPa with a gaseous hourly space velocity of 18,000 ml·g^-1（cat）·h^-1,and the catalytic activity of CO2methanation for the Zr-,Ce-,and La-Co3O4 exhibited more stable than Co3O4 in a 20-h reaction.展开更多
Study on the quantitative structure-activity relationship （QSAR） of 26 compounds, N-[5-（2-furanyl）-2-methyl-4-oxo-4H-thieno[2,3-d]pyrimidin-3-yl]-carboxamide and 3-substituted- 5-（2-furanyl）-2-methyl-3H-thieno[2...Study on the quantitative structure-activity relationship （QSAR） of 26 compounds, N-[5-（2-furanyl）-2-methyl-4-oxo-4H-thieno[2,3-d]pyrimidin-3-yl]-carboxamide and 3-substituted- 5-（2-furanyl）-2-methyl-3H-thieno[2,3-d]pyrimidin-4-ones, with three-dimensional holographic vector of atomic interaction field （3D-HoVAIF） was carried out. SMR-PLS QSAR models have been created and good correlation coefficients and cross-validated correlation coefficients were obtained. The result shows that the models have good prediction capability and favorable stability and the 3D-HoVAIF is applicable to the molecular structural characterization and biological activity prediction.展开更多
We analyse the integrable boundary conditions for the one-dimensional N-component generalized Bariev model with a hard-core repulsion. The Bethe ansatz equations and the energy spectrum are obtained in the framework o...We analyse the integrable boundary conditions for the one-dimensional N-component generalized Bariev model with a hard-core repulsion. The Bethe ansatz equations and the energy spectrum are obtained in the framework of the nested Bethe ansatz method.展开更多
A closed form of the title integral formula over the Gaussian-type orbitals is derived for the first time. The present closed form is analytical as the multiple hyper-geometric function of five variables.
The electro optical characteristics of SrS∶Ce and SrGa 2S 4∶Ce as two kinds of hopeful blue TFEL phosphors have been intensively investigated. The color purity of SrGa 2S 4∶Ce is better than that of SrS∶Ce. ...The electro optical characteristics of SrS∶Ce and SrGa 2S 4∶Ce as two kinds of hopeful blue TFEL phosphors have been intensively investigated. The color purity of SrGa 2S 4∶Ce is better than that of SrS∶Ce. In this paper, the influence of Ga 3+ on photoluminescence (PL) characteristics of Ce 3+ is first reported. Ga 2S 3 was doped into SrS, then sintered. The emission spectra shift obviously towards short wavelength range with increase of Ga 3+ concentration. At the same time, the relative intensity of the excitation peaks corresponding to the interband absorption of SrS reduces, and the excitation efficiency corresponding to the transition from the ground state to the excited state of Ce 3+ ion increases. The ligand field around Ce 3+ is changed by doped Ga 3+ . The ionicity of the substituted become stronger and Ce 3+ -Ce 3+ interaction become weaker. These are favorite to blue emission.展开更多
The interaction between CH_3OH and H_2CO has been studied by ab initio method(6-311G basis set).It has been found that there are two possible complexes:(Ⅰ)H-bond Brnsted complex CH_3OH...OCH_2(Ⅱ)Donor scceptor Lewis...The interaction between CH_3OH and H_2CO has been studied by ab initio method(6-311G basis set).It has been found that there are two possible complexes:(Ⅰ)H-bond Brnsted complex CH_3OH...OCH_2(Ⅱ)Donor scceptor Lewis complex CH_3OH...CH_2P.HF/6-311G stabilization energies for complex(Ⅰ)and complex(Ⅱ)are 25.1 and 17.1 kJ/mol respectively.展开更多
In this paper,2D asynchronous spectra generated by using the DAOSD approach was utilized to probe interactions between Nd^3＋ and pyridinium dissolved in aqueous solution.A series of cross peaks in the resultant 2D as...In this paper,2D asynchronous spectra generated by using the DAOSD approach was utilized to probe interactions between Nd^3＋ and pyridinium dissolved in aqueous solution.A series of cross peaks in the resultant 2D asynchronous spectrum confirms the occurrence of intermolecular interaction between Nd^3＋and pyridinium.However,no coordination occurs between Nd^3＋ and pyridinium.Interaction between πelectron from aromatic system and/electron from lanthanide ions account for the appearance of cross peaks in 2D asynchronous spectra.Because of the interaction,the emission spectrum of pyridinium exhibits a significant change when neodymium perchlorate was introduced into the system.展开更多
The quantitative structure-activity relationship （QSAR） of 30 acylthiourea analogues was studied by using a three-dimensional holographic vector of atomic interaction field （3D-HoVAIF） to describe their chemical s...The quantitative structure-activity relationship （QSAR） of 30 acylthiourea analogues was studied by using a three-dimensional holographic vector of atomic interaction field （3D-HoVAIF） to describe their chemical structures. The descriptors obtained were screened by stepwise multiple regression （SMR） and a partial least-squares （PLS） regression model was built. The correlation coefficient r^2 of the established model and Leave-One-Out （LOO） Cross-Validation （CV） correlation coefficient q^2 are 0.624 and 0.409, respectively. The model has favorable stability and good prediction capability, and further QSAR analysis showed that hydrophobic interaction has the most important effect on the activity of acylthiourea analogue and 3D-HoVAIF was applicable to the molecular structural characterization and biologicalactivity prediction.展开更多
A novel three-dimensional holographic vector of atomic interaction field（3D-HoVAIF） was used to describe the chemical structures of 23 benzoxazinone derivatives as antithrombotic drugs.Here a quantitative structure ...A novel three-dimensional holographic vector of atomic interaction field（3D-HoVAIF） was used to describe the chemical structures of 23 benzoxazinone derivatives as antithrombotic drugs.Here a quantitative structure activity relationship（QSAR） model was built by partial least-squares（PLS） regression.The estimation stability and prediction ability of the model were strictly analyzed by both internal and external validations.The correlation coefficients of established PLS model,leave-one-out（LOO） cross-validation,and predicted values versus experimental ones of external samples were R2=0.899,RCV2=0.854 and Qext2=0.868,respectively.These values indicated that the built PLS model had both favorable estimation stability and good prediction capabilities.Furthermore,the satisfactory results showed that 3D-HoVAIF could preferably express the information related to the biological activity of benzoxazinone derivatives.展开更多
The stability constants for rare earth complexes with 3, 5, 3'-triiodothyronine were determined at 37℃ and an ionic strength of 0.15 mole/L NaCl,The lanthanide induced shifts were measured for 1H nuclei of 3, 5, ...The stability constants for rare earth complexes with 3, 5, 3'-triiodothyronine were determined at 37℃ and an ionic strength of 0.15 mole/L NaCl,The lanthanide induced shifts were measured for 1H nuclei of 3, 5, 3'-triiodothyrouine. The coordination of rare earth with 3, 5, 3'-triiodothyronine was discussed.展开更多
Two possible complexes formed by the interaction of CH_3OH and H_2CO,one hydrogen-bonded (Ⅰ)and one donor-acceptor complex(Ⅱ),have been reported in the previous paper.Based on the ab initio 6-31G basis set calculati...Two possible complexes formed by the interaction of CH_3OH and H_2CO,one hydrogen-bonded (Ⅰ)and one donor-acceptor complex(Ⅱ),have been reported in the previous paper.Based on the ab initio 6-31G basis set calculations,the properties of the charge density for the complexeshave been analyzed using the theory of atoms in molecules.The nature of the complex formation has been discussed in terms of the properties of the charge density distributions.展开更多
The development of efficient Cu-based heterogeneous catalysts for CO_(2) hydrogenation to methanol has been an appealing subject.Inspired by the concept of inverse catalysts,a series of La_(2)O_(2)CO_(3)/Cu nanorod co...The development of efficient Cu-based heterogeneous catalysts for CO_(2) hydrogenation to methanol has been an appealing subject.Inspired by the concept of inverse catalysts,a series of La_(2)O_(2)CO_(3)/Cu nanorod composites with varying Cu contents(denoted as LOC/Cu-x,where x stands for the mass ratio of La and Cu in the catalysts)were prepared by combining coprecipitation and calcination processes.Remarkable composition-dependence of catalytic activity and selectivity were observed when different LOC/Cu-x(x=0.1,0.2,0.5,1,3 and 5)were used to catalyze the CO_(2) hydrogenation.The predominant product shifted from methane to methanol with the increasing Cu content.The highest reaction rate(13.3 mmol·gCu^(-1)·h^(-1))and methanol selectivity(85.5%)were achieved when LOC/Cu-1 was tested at 200℃.The LOC was not active for the reaction,while the Cu itself displayed poor catalytic performance.The Cu–LOC interactions significantly affected the nature of the catalysts,including mutual electron transfer,crystal structure,morphology,porosity,surface Cu valence and capability of adsorbing the reactant gases,etc.,which account for the outstanding behavior of the LOC/Cu-1 catalyst.This work provides a new strategy for the design and optimization of Cu-based catalysts.展开更多
文摘Six degrees of freedom(6DoF)input interfaces are essential formanipulating virtual objects through translation or rotation in three-dimensional(3D)space.A traditional outside-in tracking controller requires the installation of expensive hardware in advance.While inside-out tracking controllers have been proposed,they often suffer from limitations such as interaction limited to the tracking range of the sensor(e.g.,a sensor on the head-mounted display(HMD))or the need for pose value modification to function as an input interface(e.g.,a sensor on the controller).This study investigates 6DoF pose estimation methods without restricting the tracking range,using a smartphone as a controller in augmented reality(AR)environments.Our approach involves proposing methods for estimating the initial pose of the controller and correcting the pose using an inside-out tracking approach.In addition,seven pose estimation algorithms were presented as candidates depending on the tracking range of the device sensor,the tracking method(e.g.,marker recognition,visual-inertial odometry(VIO)),and whether modification of the initial pose is necessary.Through two experiments(discrete and continuous data),the performance of the algorithms was evaluated.The results demonstrate enhanced final pose accuracy achieved by correcting the initial pose.Furthermore,the importance of selecting the tracking algorithm based on the tracking range of the devices and the actual input value of the 3D interaction was emphasized.
基金The financial support from the National Natural Science Foundation of China (20590361)the National Outstanding Young Scientists Foundation of China (20625620)
文摘A series of iron-based Fischer-Tropsch synthesis （FTS） catalysts incorporated with Al2O3 binder were prepared by the combination of co-precipitation and spray drying technology. The catalyst samples were characterized by using N2 physical adsorption, temperature-programmed reduction/desorption （TPR/TPD） and MSssbauer effect spectroscopy （MES） methods. The characterization results indicated that the BET surface area increases with increasing Al2O3 content and passes through a maximum at the Al2O3/Fe ratio of 10/100 （weight basis）. After the point, it decreases with further increase in Al2O3 content. The incorporation of Al2O3 binder was found to weaken the surface basicity and suppress the reduction and carburization of iron-based catalysts probably due to the strong K-Al2O3 and Fe-Al2O3 interactions. Furthermore, the H2 adsorption ability of the catalysts is enhanced with increasing Al2O3 content. The FTS performances of the catalysts were tested in a slurry-phase continuously stirred tank reactor （CSTR） under the reaction conditions of 260 ℃, 1.5 MPa, 1000 h^-1 and molar ratio of H2/CO 0.67 for 200 h. The results showed that the addition of small amounts of Al2O3 affects the activity of iron-based catalysts to a little extent. However, with further increase of Al2O3 content, the FTS activity and water gas shift reaction （WGS） activity are decreased severely. The addition of appropriate Al2O3 do not affect the product selectivity, but the catalysts incorporated with large amounts of Al2O3 have higher selectivity for light hydrocarbons and lower selectivity for heavy hydrocarbons.
基金financially supported by the National Natural Science Foundation of China(Nos.52071284 and 51771172)the Zhejiang Provincial Natural Science Foundation of China(No.LQ22E010003).
文摘Element Sc is a promising candidate for optimizing the high-temperature mechanical properties of Al alloys.In this study,the Sc-solute,Al_(3) Sc-vacancy and Al_(3) Sc-solute interactions in aluminium are inves-tigated extensively by using first-principles calculations.The correlation between the various interaction energies and the solute atomic size,and the Sc-solute compound formation energy has been evaluated.A negative correlation between the first nearest neighbour Sc-solute binding energies and the lowest Sc-solute compound formation energies has been identified,while the second nearest neighbour Sc-solute binding energies increase monotonically with the solute atomic size.Al_(3) Sc precipitates can bind vacancy strongly at the specific atomic site,but their relatively low number density limits their influence on va-cancy behaviours during the ageing period shortly after quenching.Compared to the atomic size,the trend for solute segregating at the interface between Al_(3) Sc precipitate and Al bulk is more strongly re-lated to the Sc-solute binding energy.The calculated results can clarify the available experimental obser-vations for Al-Sc,Al-Cu,Al-Mg-Si and Al-Zn-Mg-Cu alloys,and it is hoped to guide the design of high-performance Al alloys.
基金the National Natural Science Foundation of China(No.81902852)China Postdoctoral Science Foundation(No.2020M670220)+2 种基金the Natural Science Foundation of Hubei Province of China(No.2022CFB481)the Natural Science Foundation of Hubei Provincial Department of Education(No.T2022021)Wudang Local Chinese Medicine Research of Hubei University of Medicine(No.WDCM2020004).
文摘10,11-Dehydrocurvularin(DCV)is a natural-product macrolide that has been shown to exert anti-inflammatory activity.However,the underlying mechanism of its anti-inflammatory activity remains poorly understood.Aberrant activation of the NLRP3 inflammasome is involved in diverse inflammation-related diseases,which should be controlled.The results showed that DCV specifically inhibited the activation of the NLRP3 inflammasome in association with reduced IL-1βsecretion and caspase-1 activation,without effect on the NLRC4 and AIM2 inflammasomes.Furthermore,DCV disturbed the interaction between NEK7 and NLRP3,resulting in the inhibition of NLRP3 inflammasome activation.The C=C double bond of DCV was required for the NLRP3 inflammasome inhibition induced by DCV.Importantly,DCV ameliorated inflammation in vivo through inhibiting the NLRP3 inflammasome.Taken together,our study reveals a novel mechanism by which DCV suppresses inflammation,which indicates the potential role of DCV in NLRP3 inflammasome-driven inflammatory disorders.
文摘We present a method of 3D image mosaicing for real 3D representation of roadside buildings, and implement a Web-based interactive visualization environment for the 3D video mosaics created by 3D image mosaicing. The 3D image mo- saicing technique developed in our previous work is a very powerful method for creating textured 3D-GIS data without excessive data processing like the laser or stereo system. For the Web-based open access to the 3D video mosaics, we build an interactive visualization environment using X3D, the emerging standard of Web 3D. We conduct the data preprocessing for 3D video mosaics and the X3D modeling for textured 3D data. The data preprocessing includes the conversion of each frame of 3D video mosaics into concatenated image files that can be hyperlinked on the Web. The X3D modeling handles the representation of concatenated images using necessary X3D nodes. By employing X3D as the data format for 3D image mosaics, the real 3D representation of roadside buildings is extended to the Web and mobile service systems.
基金supported by the National Natural Science Foundation of China (Grants 11372333, 90916028)
文摘The properties of Mach stems in hypersonic corner flow induced by Mach interaction over 3D intersecting wedges were studied theoretically and numerically.A new method called ＂spatial dimension reduction＂ was used to analyze theoretically the location and Mach number behind Mach stems. By using this approach, the problem of 3D steady shock/shock interaction over 3D intersecting wedges was transformed into a 2D moving one on cross sections, which can be solved by shock-polar theory and shock dynamics theory. The properties of Mach interaction over 3D intersecting wedges can be analyzed with the new method,including pressure, temperature, density in the vicinity of triple points, location, and Mach number behind Mach stems.Theoretical results were compared with numerical results,and good agreement was obtained. Also, the influence of Mach number and wedge angle on the properties of a 3D Mach stem was studied.
基金supported by the Doctoral Program of Xi'an Shiyou University(134010155)Shaanxi Provincial College Students'Inno vative Entrepreneurial Training Program(No.2016107051360 and 201610705046)
文摘A series of CeO2-Co3O4 mixed oxide catalysts with different Co/（Co＋Ce） atomic ratios were synthesized by citric acid sol-gel method and used for catalytic oxidation of formaldehyde（HCHO）. Many techniques such as Brumauer-Emmett-Teller（BET）, X-ray diffraction（XRD）, scanning electron microscopy（FE-SEM）, temperature programmed reduction（H_2-TPR）, temperature-programmed desorption（O_2-TPD） and X-ray photoelectron spectroscopy（XPS） were used to characterize catalysts. The results of catalytic performance tests showed that the catalyst CeO_2-Co_3O_4 with Co/（Co＋Ce） ratio of 0.95 exhibited the best performance, and the temperature of complete oxidation of HCHO was 80 oC. The analytical results indicated that the addition of CeO_2 enhanced the specific surface area of Co_3O_4 and the fine dispersion of both of them. Moreover, the strong interaction between CeO_2 and Co_3O_4 resulted in the unique redox properties, which enhanced the available surface active oxygen and led to high valence state of cobalt oxide species. All those effects played crucial roles in the excellent performance of CeO_2-Co_3O_4 for the HCHO oxidation.
基金Supported by the National Natural Science Foundation of China(21366004)Guangxi Natural Science Foundation(2016GXNSFFA380015)the Dean Project of Guangxi Key Laboratory of Petrochemical Resource Processing and Process Intensification Technology(2016Z003)
文摘The Co3O4 and Zr-,Ce-,and La-Co3O4 catalysts were prepared,characterized,and applied to produce CH4 from CO2 catalytic hydrogenation in low temperature as 140–220℃.The results indicated that the addition of Zr,Ce,or La to the Co3O4 decreased the crystallite sizes of Co and the outer-shell electron density of Co^3＋,and increased the specific surface area,which would provide more active sites for the CO2 methanation.Especially,the addition of Zr also changed the reducing state of Co3O4 via an obvious change in the interaction between Co3O4 and ZrO2.Furthermore,Zr doped into the Co3O4 increased the basic intensity of the weak and medium basic sites,as well as the amount of Lewis acid sites,and Bronsted acid sites were also found on the Zr-Co3O4 surface.The introduction of Zr,Ce,or La favored the production of CH4,and the Zr-Co3O4catalyst exhibited the highest CO2 conversion（58.2%）and CH4 selectivity（100%）at 200℃,and 0.5 MPa with a gaseous hourly space velocity of 18,000 ml·g^-1（cat）·h^-1,and the catalytic activity of CO2methanation for the Zr-,Ce-,and La-Co3O4 exhibited more stable than Co3O4 in a 20-h reaction.
基金Supported by the Fund of National High Technology Research and Development Program (863 Program, No. 2006AA02Z312)
文摘Study on the quantitative structure-activity relationship （QSAR） of 26 compounds, N-[5-（2-furanyl）-2-methyl-4-oxo-4H-thieno[2,3-d]pyrimidin-3-yl]-carboxamide and 3-substituted- 5-（2-furanyl）-2-methyl-3H-thieno[2,3-d]pyrimidin-4-ones, with three-dimensional holographic vector of atomic interaction field （3D-HoVAIF） was carried out. SMR-PLS QSAR models have been created and good correlation coefficients and cross-validated correlation coefficients were obtained. The result shows that the models have good prediction capability and favorable stability and the 3D-HoVAIF is applicable to the molecular structural characterization and biological activity prediction.
基金Supported by the National Natural Science Foundation of China under Grant No 90103001,
文摘We analyse the integrable boundary conditions for the one-dimensional N-component generalized Bariev model with a hard-core repulsion. The Bethe ansatz equations and the energy spectrum are obtained in the framework of the nested Bethe ansatz method.
文摘A closed form of the title integral formula over the Gaussian-type orbitals is derived for the first time. The present closed form is analytical as the multiple hyper-geometric function of five variables.
文摘The electro optical characteristics of SrS∶Ce and SrGa 2S 4∶Ce as two kinds of hopeful blue TFEL phosphors have been intensively investigated. The color purity of SrGa 2S 4∶Ce is better than that of SrS∶Ce. In this paper, the influence of Ga 3+ on photoluminescence (PL) characteristics of Ce 3+ is first reported. Ga 2S 3 was doped into SrS, then sintered. The emission spectra shift obviously towards short wavelength range with increase of Ga 3+ concentration. At the same time, the relative intensity of the excitation peaks corresponding to the interband absorption of SrS reduces, and the excitation efficiency corresponding to the transition from the ground state to the excited state of Ce 3+ ion increases. The ligand field around Ce 3+ is changed by doped Ga 3+ . The ionicity of the substituted become stronger and Ce 3+ -Ce 3+ interaction become weaker. These are favorite to blue emission.
基金Projects supported by the National Natural Science Foundation of China.
文摘The interaction between CH_3OH and H_2CO has been studied by ab initio method(6-311G basis set).It has been found that there are two possible complexes:(Ⅰ)H-bond Brnsted complex CH_3OH...OCH_2(Ⅱ)Donor scceptor Lewis complex CH_3OH...CH_2P.HF/6-311G stabilization energies for complex(Ⅰ)and complex(Ⅱ)are 25.1 and 17.1 kJ/mol respectively.
基金financially supported by the National Natural Science Foundation of China(No.51373003)Beijing Natural Science Foundation(No.2122059)
文摘In this paper,2D asynchronous spectra generated by using the DAOSD approach was utilized to probe interactions between Nd^3＋ and pyridinium dissolved in aqueous solution.A series of cross peaks in the resultant 2D asynchronous spectrum confirms the occurrence of intermolecular interaction between Nd^3＋and pyridinium.However,no coordination occurs between Nd^3＋ and pyridinium.Interaction between πelectron from aromatic system and/electron from lanthanide ions account for the appearance of cross peaks in 2D asynchronous spectra.Because of the interaction,the emission spectrum of pyridinium exhibits a significant change when neodymium perchlorate was introduced into the system.
基金supported by the National High-tech Research Program (the "863" Program, No. 2006AA02Z312)Innovative Group Program for Graduates of Chongqing University, Science and Innovation Fund (No. 200711C1A0010260)
文摘The quantitative structure-activity relationship （QSAR） of 30 acylthiourea analogues was studied by using a three-dimensional holographic vector of atomic interaction field （3D-HoVAIF） to describe their chemical structures. The descriptors obtained were screened by stepwise multiple regression （SMR） and a partial least-squares （PLS） regression model was built. The correlation coefficient r^2 of the established model and Leave-One-Out （LOO） Cross-Validation （CV） correlation coefficient q^2 are 0.624 and 0.409, respectively. The model has favorable stability and good prediction capability, and further QSAR analysis showed that hydrophobic interaction has the most important effect on the activity of acylthiourea analogue and 3D-HoVAIF was applicable to the molecular structural characterization and biologicalactivity prediction.
基金supported by the Natural Science Foundation of Shaanxi Province (2009JQ2005)Foundation of Educational Commission of Shaanxi Province (09JK358) Graduate Innovation Fund of Shaanxi University of Science and Technology
文摘A novel three-dimensional holographic vector of atomic interaction field（3D-HoVAIF） was used to describe the chemical structures of 23 benzoxazinone derivatives as antithrombotic drugs.Here a quantitative structure activity relationship（QSAR） model was built by partial least-squares（PLS） regression.The estimation stability and prediction ability of the model were strictly analyzed by both internal and external validations.The correlation coefficients of established PLS model,leave-one-out（LOO） cross-validation,and predicted values versus experimental ones of external samples were R2=0.899,RCV2=0.854 and Qext2=0.868,respectively.These values indicated that the built PLS model had both favorable estimation stability and good prediction capabilities.Furthermore,the satisfactory results showed that 3D-HoVAIF could preferably express the information related to the biological activity of benzoxazinone derivatives.
文摘The stability constants for rare earth complexes with 3, 5, 3'-triiodothyronine were determined at 37℃ and an ionic strength of 0.15 mole/L NaCl,The lanthanide induced shifts were measured for 1H nuclei of 3, 5, 3'-triiodothyrouine. The coordination of rare earth with 3, 5, 3'-triiodothyronine was discussed.
基金Projeet supported by the National Natural Science Foundation of China.
文摘Two possible complexes formed by the interaction of CH_3OH and H_2CO,one hydrogen-bonded (Ⅰ)and one donor-acceptor complex(Ⅱ),have been reported in the previous paper.Based on the ab initio 6-31G basis set calculations,the properties of the charge density for the complexeshave been analyzed using the theory of atoms in molecules.The nature of the complex formation has been discussed in terms of the properties of the charge density distributions.
基金The work was financially supported by the National Key Research and Development Program of China(No.2024YFE0206500)the National Science Foundation of China(Nos.22033009,22072156,22073104 and 22121002).
文摘The development of efficient Cu-based heterogeneous catalysts for CO_(2) hydrogenation to methanol has been an appealing subject.Inspired by the concept of inverse catalysts,a series of La_(2)O_(2)CO_(3)/Cu nanorod composites with varying Cu contents(denoted as LOC/Cu-x,where x stands for the mass ratio of La and Cu in the catalysts)were prepared by combining coprecipitation and calcination processes.Remarkable composition-dependence of catalytic activity and selectivity were observed when different LOC/Cu-x(x=0.1,0.2,0.5,1,3 and 5)were used to catalyze the CO_(2) hydrogenation.The predominant product shifted from methane to methanol with the increasing Cu content.The highest reaction rate(13.3 mmol·gCu^(-1)·h^(-1))and methanol selectivity(85.5%)were achieved when LOC/Cu-1 was tested at 200℃.The LOC was not active for the reaction,while the Cu itself displayed poor catalytic performance.The Cu–LOC interactions significantly affected the nature of the catalysts,including mutual electron transfer,crystal structure,morphology,porosity,surface Cu valence and capability of adsorbing the reactant gases,etc.,which account for the outstanding behavior of the LOC/Cu-1 catalyst.This work provides a new strategy for the design and optimization of Cu-based catalysts.
