The high throughput prediction of the thermodynamic phase behavior of active pharmaceutical ingredients(APIs)with pharmaceutically relevant excipients remains a major scientific challenge in the screening of pharmaceu...The high throughput prediction of the thermodynamic phase behavior of active pharmaceutical ingredients(APIs)with pharmaceutically relevant excipients remains a major scientific challenge in the screening of pharmaceutical formulations.In this work,a developed machine-learning model efficiently predicts the solubility of APIs in polymers by learning the phase equilibrium principle and using a few molecular descriptors.Under the few-shot learning framework,thermodynamic theory(perturbed-chain statistical associating fluid theory)was used for data augmentation,and computational chemistry was applied for molecular descriptors'screening.The results showed that the developed machine-learning model can predict the API-polymer phase diagram accurately,broaden the solubility data of APIs in polymers,and reproduce the relationship between API solubility and the interaction mechanisms between API and polymer successfully,which provided efficient guidance for the development of pharmaceutical formulations.展开更多
The centrifugal pump is a prevalent power equipment widely used in different engineering patterns,and the impeller blade wrap angle significantly impacts its performance.A numerical investigation was conducted to anal...The centrifugal pump is a prevalent power equipment widely used in different engineering patterns,and the impeller blade wrap angle significantly impacts its performance.A numerical investigation was conducted to analyze the influence of the blade wrap angle on flow characteristics and energy distribution of a centrifugal pump evaluated as a low specific speed with a value of 69.This study investigates six impellermodels that possess varying blade wrap angles(95°,105°,115°,125°,135°,and 145°)that were created while maintaining the same volute and other geometrical characteristics.The investigation of energy loss was conducted to evaluate the values of total and entropy generation rates(TEG,EGR).The fluid-structure interaction was considered numerically using the software tools ANSYS Fluent and ANSYSWorkbench.The elastic structural dynamic equation was used to estimate the structural response,while the shear stress transport k–ωturbulence model was utilized for the fluid domain modeling.The findings suggest that the blade wrap angle has a significant influence on the efficiency of the pump.The impeller featuring a blade wrap angle of 145°exhibits higher efficiency,with a notable increase of 3.76%relative to the original model.Variations in the blade wrap angle impact the energy loss,shaft power,and pump head.The model with a 145°angle exhibited a maximum equivalent stress of 14.8MPa and a total deformation of 0.084 mm.The results provide valuable insights into the intricate flow mechanism of the centrifugal pump,particularly when considering various blade wrap angles.展开更多
We make a systematic study of two-parameter models of δ ′ s -sphere interaction and δ ′ s -sphere plus a Coulomb interaction. Where δ ′ s interaction denotes the δ ′ -sphere interaction of the second kind. We ...We make a systematic study of two-parameter models of δ ′ s -sphere interaction and δ ′ s -sphere plus a Coulomb interaction. Where δ ′ s interaction denotes the δ ′ -sphere interaction of the second kind. We provide the mathematical definitions of Hamiltonians and obtain new results for both models, in particular the resolvents equations, spectral properties and some scattering quantities.展开更多
The mass communication model and interactive ritual chain theory,which serve as communication paradigms in the new media era,facilitate and enhance the synergy between the fields of social history of medicine and heal...The mass communication model and interactive ritual chain theory,which serve as communication paradigms in the new media era,facilitate and enhance the synergy between the fields of social history of medicine and health communication.This study employs a comprehensive framework based on the five elements of the mass communication model:information source,communication subject,communication object,message content,and post-communication feedback.Additionally,it incorporates the interactive ritual chain theory to examine the evolving dynamics and developmental trajectory of research in the social history of medicine during the new media era.Conclusively,this paper acknowledges the existing interaction gaps in the interaction between health communication and the social history of medicine research while outlining the challenges for fostering collaboration and proposing strategic optimizations for effective integration.展开更多
Scaffolding theory is one of the mature teaching methods of constructivism model . The effective interaction between teachers and students is one characteristic of scaffold teaching. This paper aims at combining scaff...Scaffolding theory is one of the mature teaching methods of constructivism model . The effective interaction between teachers and students is one characteristic of scaffold teaching. This paper aims at combining scaffolding theory with classroom interaction in teaching higher vocational students English to help students arouse interest and enhance their comprehensive ability in English learning.展开更多
The flotation of diasporic bauxite is to separate diaspore(valuable mineral)from aluminosilicate minerals(gangue minerals,mainly including kaolinite,illite and pyrophyllite),and the microscopic interaction force betwe...The flotation of diasporic bauxite is to separate diaspore(valuable mineral)from aluminosilicate minerals(gangue minerals,mainly including kaolinite,illite and pyrophyllite),and the microscopic interaction force between the two types of minerals and air bubbles determines the separation efficiency.In this paper,based on the extended Derjaguin-Landau-Verwey-Overbeek(DLVO)theory,the van der Waals,electrostatic and hydrophobic interaction between particles of the four minerals mentioned above and air bubbles in collectorless solution were calculated first,and then diaspore and kaolinite were taken as examples to analyze the influence of various factors such as electrolyte concentration,mineral particle size,air bubble size,collector type(dodecylamine hydrochloride(DAH)and sodium oleate(NaOL))and concentration,and pulp pH on the interactions between the particles of valuable mineral and gangue minerals and air bubbles.The results showed that the total extended DLVO interactions between the four minerals and air bubbles were repulsive in most cases in collectorless solution.The increase in electrolyte concentration reduced the interaction force or even changed the direction of the force under certain circumstances.The addition of DAH and NaOL can reduce the adhesion energy barrier of kaolinitebubble and diaspore-bubble respectively.Each type of minerals exhibited a specific interface interaction response with air bubbles in each collector with different pH values.The research results have theoretical guiding significance for the optimization and directional control of diasporic bauxite flotation conditions.展开更多
The hydrogen evolution reaction (HER) and dendrite growth associated with Zn anode have become the main bottlenecks for the further development of zinc ion batteries (ZIBs).In this work,the electrochemical activity of...The hydrogen evolution reaction (HER) and dendrite growth associated with Zn anode have become the main bottlenecks for the further development of zinc ion batteries (ZIBs).In this work,the electrochemical activity of H_(3)O^(+) is inhibited by the supramolecular host–guest complex composed of H_(3)O^(+) as guest and 18-crown-6 as host.The even Zn plating is induced by the host–guest complex electrostatic shielding layer on Zn anode,as detected by in-situ optical microscopy.The lamellar Zn is plated which profits from the improved Zn plating behavior.Density functional theory (DFT) calculation presents the stable structure of complex.The less produced H_(2) content is monitored online by a mass spectrometer during Zn plating/stripping,which indicates HER can be hampered by the host–guest behavior.Thus,the ZIBs with long life and high Coulombic efficiency are achieved via introducing 18-crown-6.The proposed host–guest supramolecular interaction is expected to facilitate the furthermore development of Zn batteries.展开更多
The signature events caused by host-guest interactions in the nanopore system can be used as a novel and characteristic signal in quantitative detection and analysis of various molecules.However,the effect of several ...The signature events caused by host-guest interactions in the nanopore system can be used as a novel and characteristic signal in quantitative detection and analysis of various molecules.However,the effect of several electrochemical factors on the host-guest interactions in nanopore still remains unknown.Here,we systematically studied host-guest interactions,especially oscillation of DNA-azide adamantane@cucurbit[6]inα-Hemolysin nanopore under varying pH,concentration of electrolytes and counterions(Li+,Na+,K+).Our results indicate correlations between the change of pH and the duration of the oscillation signal.In addition,the asymmetric electrolyte concentration and the charge of the counterions affects the frequency of signature events in oscillation signals,and even the integrity of the protein nanopore.This study provides insight into the design of a future biosensing platform based on signature oscillation signals of the host-guest interaction within a nanopore.展开更多
Through scanning electron microscope (SEM), spectral analysis, and component analysis tests, the interaction theory between asphalt and rubber was discussed. It is concluded that rubber powder become soft and bond t...Through scanning electron microscope (SEM), spectral analysis, and component analysis tests, the interaction theory between asphalt and rubber was discussed. It is concluded that rubber powder become soft and bond together with each other after being mixed with asphalt. The asphalt changes from a smooth homogeneous matter to a continuous mixing system which is composed of rubber powder and asphalt. The interaction is mainly physical diffusion, but there are some chemical reactions in the process, especially at long reaction time.展开更多
The effects of ground motion spatial variability(GMSV)or fluid-structure interaction(FSI)on the seismic responses of deep-water bridges have been extensively examined.However,there are few studies on the seismic perfo...The effects of ground motion spatial variability(GMSV)or fluid-structure interaction(FSI)on the seismic responses of deep-water bridges have been extensively examined.However,there are few studies on the seismic performance of bridges considering GMSV and FSI effects simultaneously.In this study,the original multiple-support response spectrum(MSRS)method is extended to consider FSI effect for seismic analysis of deep-water bridges.The solution of hydrodynamic pressure on a pier is obtained using the radiation wave theory,and the FSI-MSRS formulation is derived according to the random vibration theory.The influence of FSI effect on the related coefficients is analyzed.A five-span steel-concrete continuous beam bridge is adopted to conduct the numerical simulations.Different load conditions are designed to investigate the variation of the bridge responses when considering the GMSV and FSI effects.The results indicate that the incoherence effect and wave passage effect decrease the bridge responses with a maximum percentage of 86%,while the FSI effect increases the responses with a maximum percentage of 26%.The GMSV and FSI effects should be included in the seismic design of deep-water bridges.展开更多
Ursolic acid(UA) and oleanolic acid(OA) are insoluble drugs. The objective of this study was to encapsulate them into β-cyclodextrin(β-CD) and compare the solubility and intermolecular force of β-CD with the two is...Ursolic acid(UA) and oleanolic acid(OA) are insoluble drugs. The objective of this study was to encapsulate them into β-cyclodextrin(β-CD) and compare the solubility and intermolecular force of β-CD with the two isomeric triterpenic acids. The host-guest interaction was explored in liquid and solid state by ultraviolet-visible absorption,1H NMR, phase solubility analysis, and differential scanning calorimetry, X-ray powder diffractometry, and molecular modeling studies. Both experimental and theoretical studies revealed that β-CD formed 1: 1 water soluble inclusion complexes and the complexation process was naturally favorable. In addition, the overall results suggested that ring E with a carboxyl group of the drug was encapsulated into the hydrophobic CD nanocavity. Therefore, a clear different inclusion behavior was observed, and UA exhibited better affinity to β-CD compared with OA in various media due to little steric interference, which was beneficial to form stable inclusion complex with β-CD and increase its water solubility effectively.展开更多
Five fully optimized structures of complexes between aza-calix[6]arene host monomers(Ma~Me) and complexes(a~e) have been obtained at the B3LYP/6-31G(d) level.Natural bond orbital(NBO) analysis was performed ...Five fully optimized structures of complexes between aza-calix[6]arene host monomers(Ma~Me) and complexes(a~e) have been obtained at the B3LYP/6-31G(d) level.Natural bond orbital(NBO) analysis was performed to reveal the origin of the interaction.The intermolecular interaction energy was evaluated with basis set superposition error correction(BSSE) and zero point energy correction(ZPEC).The B3LYP/6-31G(d) calculations on the five complexes have shown that the greatest interaction(–13.98 kJ/mol) is found in the complex between HMX and hexa-aza-calix[3]-p-tri-arene[3]-2-amido-1,3,5-tri-azine.The results have indicated that intermolecular interaction energies of aza-calix[6]arenes with substituted group are stronger than those without substituted group,and those with amido are greater than with nitryl.Thus,hexa-azacalix[3]-p-tri-arene[3]-2-amido-1,3,5-tri-azine is rather equal to eliminate HMX from explosive waste water.展开更多
This article offers an overview of theoretical ideas and recent empirical research by referring to the interactive communication between teachers and learners in a second language classroom.Both the interaction of tea...This article offers an overview of theoretical ideas and recent empirical research by referring to the interactive communication between teachers and learners in a second language classroom.Both the interaction of teacher-centered classroom and learner-centered classroom are reviewed within the context of sociocultural theory.The paper attempts to indicate the better effect of language learning can be achieved by complementing one another in the classroom of teacher-centeredness and learner-centeredness.展开更多
Entropic contribution to the interaction parameter (?) in the model incompressible polymer/oligomer system iscalculated by the lattice cluster theory(LCT).It is found that in the oligomer solvent,there exists a wide c...Entropic contribution to the interaction parameter (?) in the model incompressible polymer/oligomer system iscalculated by the lattice cluster theory(LCT).It is found that in the oligomer solvent,there exists a wide concentration rangethat the non-combinatorial“entropic interaction”term (?)φ_1φ_2 perceptibly counteracts the mean field combinary entropy△S_(MF).With the increase of the solvent size,both (?) and the ratio (?)φ_1φ_2/△S_(MF) first reach their maximum and finallybecome trivially to zero.It is worth noting that no any demixing was found in the current calculation.This makes thecontroversial idea“entropically driven demixing”even elusive.However,we propose that further work on compressiblepolymer solution with structured monomer will witness the demixing owning to an increased configurational correlation.展开更多
Establishing a sense of ritual within tourism consumption scenarios offers tourists the opportunity for interactive engagement.Drawing upon the value co-creation theory,this study constructed an influence mechanism mo...Establishing a sense of ritual within tourism consumption scenarios offers tourists the opportunity for interactive engagement.Drawing upon the value co-creation theory,this study constructed an influence mechanism model to examine tourists'active engagement in the process of co-creating tourism experience values.It employed Partial Least Squares Structural Equation Modeling(PLS-SEM)to empirically test the proposed hypotheses.The findings demonstrate that the model constructed in the present study exhibits robust reliability,validity,and explanatory power.The perception of the sense of ritual in tourism exerts a significant positive influence on tourists’co-creation of tourism experience values,thereby significantly enhancing both the communitas and flow experienced by tourists during their travels.Moreover,such communitas and flow can mediate the influence of the sense of ritual in tourism on tourists’co-creation of tourism experience values.This study contributes to advancing the current research on tourists’co-creation of tourism experience values and the sense of ritual in tourism,thereby providing theoretical foundations for cultivating a sense of ritual within tourism consumption scenarios.展开更多
I utilize a differentiable dynamical system á la Lotka-Voletrra and explain monetary and fiscal interaction in a supranational monetary union. The paper demonstrates an applied mathematical approach that provides...I utilize a differentiable dynamical system á la Lotka-Voletrra and explain monetary and fiscal interaction in a supranational monetary union. The paper demonstrates an applied mathematical approach that provides useful insights about the interaction mechanisms in theoretical economics in general and a monetary union in particular. I find that a common central bank is necessary but not sufficient to tackle the new interaction problems in a supranational monetary union, such as the free-riding behaviour of fiscal policies. Moreover, I show that supranational institutions, rules or laws are essential to mitigate violations of decentralized fiscal policies.展开更多
With constant economic development and continuous improvement of living standards in Northeast China,rural tourism,as a new type of tourism,is increasingly favored. From the perspective of symbolic interaction theory,...With constant economic development and continuous improvement of living standards in Northeast China,rural tourism,as a new type of tourism,is increasingly favored. From the perspective of symbolic interaction theory,taking the current situation of rural tourism in Northeast China as an example,this paper explained the semiotic significance between hosts and guests in rural tourism. It established the evaluation indicators for authentic symbolic perception of rural tourism. Also,combined with the theories of sociology and anthropology,it studied the interaction between hosts and tourists of rural tourism in Northeast China.展开更多
基金the financial support from the National Natural Science Foundation of China(22278070,21978047,21776046)。
文摘The high throughput prediction of the thermodynamic phase behavior of active pharmaceutical ingredients(APIs)with pharmaceutically relevant excipients remains a major scientific challenge in the screening of pharmaceutical formulations.In this work,a developed machine-learning model efficiently predicts the solubility of APIs in polymers by learning the phase equilibrium principle and using a few molecular descriptors.Under the few-shot learning framework,thermodynamic theory(perturbed-chain statistical associating fluid theory)was used for data augmentation,and computational chemistry was applied for molecular descriptors'screening.The results showed that the developed machine-learning model can predict the API-polymer phase diagram accurately,broaden the solubility data of APIs in polymers,and reproduce the relationship between API solubility and the interaction mechanisms between API and polymer successfully,which provided efficient guidance for the development of pharmaceutical formulations.
文摘The centrifugal pump is a prevalent power equipment widely used in different engineering patterns,and the impeller blade wrap angle significantly impacts its performance.A numerical investigation was conducted to analyze the influence of the blade wrap angle on flow characteristics and energy distribution of a centrifugal pump evaluated as a low specific speed with a value of 69.This study investigates six impellermodels that possess varying blade wrap angles(95°,105°,115°,125°,135°,and 145°)that were created while maintaining the same volute and other geometrical characteristics.The investigation of energy loss was conducted to evaluate the values of total and entropy generation rates(TEG,EGR).The fluid-structure interaction was considered numerically using the software tools ANSYS Fluent and ANSYSWorkbench.The elastic structural dynamic equation was used to estimate the structural response,while the shear stress transport k–ωturbulence model was utilized for the fluid domain modeling.The findings suggest that the blade wrap angle has a significant influence on the efficiency of the pump.The impeller featuring a blade wrap angle of 145°exhibits higher efficiency,with a notable increase of 3.76%relative to the original model.Variations in the blade wrap angle impact the energy loss,shaft power,and pump head.The model with a 145°angle exhibited a maximum equivalent stress of 14.8MPa and a total deformation of 0.084 mm.The results provide valuable insights into the intricate flow mechanism of the centrifugal pump,particularly when considering various blade wrap angles.
文摘We make a systematic study of two-parameter models of δ ′ s -sphere interaction and δ ′ s -sphere plus a Coulomb interaction. Where δ ′ s interaction denotes the δ ′ -sphere interaction of the second kind. We provide the mathematical definitions of Hamiltonians and obtain new results for both models, in particular the resolvents equations, spectral properties and some scattering quantities.
基金University of Science and Technology of China Quality Project History of Medicine(2023YCZX02)Digital Museum Construction Project of Chinese Centre for Disease Control and Prevention(BB2110240080)The National Key R&D project granted by the Ministry of Science and Technology(2018YFA0902400).
文摘The mass communication model and interactive ritual chain theory,which serve as communication paradigms in the new media era,facilitate and enhance the synergy between the fields of social history of medicine and health communication.This study employs a comprehensive framework based on the five elements of the mass communication model:information source,communication subject,communication object,message content,and post-communication feedback.Additionally,it incorporates the interactive ritual chain theory to examine the evolving dynamics and developmental trajectory of research in the social history of medicine during the new media era.Conclusively,this paper acknowledges the existing interaction gaps in the interaction between health communication and the social history of medicine research while outlining the challenges for fostering collaboration and proposing strategic optimizations for effective integration.
文摘Scaffolding theory is one of the mature teaching methods of constructivism model . The effective interaction between teachers and students is one characteristic of scaffold teaching. This paper aims at combining scaffolding theory with classroom interaction in teaching higher vocational students English to help students arouse interest and enhance their comprehensive ability in English learning.
基金supported by the National Natural Science Foundation of China(No.51904240,51904239,52104268)the Natural Science Foundation of Shaanxi Province(No.2020JQ-752,2021JQ-571)+3 种基金the Postdoctoral Science Foundation of China(No.2019M653877XB)the Outstanding Youth Science Foundation of Xi’an University of Science and Technology(No.2019YQ3-08)the Huo Yingdong Education Foundation(No.171102)the 2019 Merit-based Science and Technology Project Foundation for Shannxi Overseas-educated Scholars(No.14).
文摘The flotation of diasporic bauxite is to separate diaspore(valuable mineral)from aluminosilicate minerals(gangue minerals,mainly including kaolinite,illite and pyrophyllite),and the microscopic interaction force between the two types of minerals and air bubbles determines the separation efficiency.In this paper,based on the extended Derjaguin-Landau-Verwey-Overbeek(DLVO)theory,the van der Waals,electrostatic and hydrophobic interaction between particles of the four minerals mentioned above and air bubbles in collectorless solution were calculated first,and then diaspore and kaolinite were taken as examples to analyze the influence of various factors such as electrolyte concentration,mineral particle size,air bubble size,collector type(dodecylamine hydrochloride(DAH)and sodium oleate(NaOL))and concentration,and pulp pH on the interactions between the particles of valuable mineral and gangue minerals and air bubbles.The results showed that the total extended DLVO interactions between the four minerals and air bubbles were repulsive in most cases in collectorless solution.The increase in electrolyte concentration reduced the interaction force or even changed the direction of the force under certain circumstances.The addition of DAH and NaOL can reduce the adhesion energy barrier of kaolinitebubble and diaspore-bubble respectively.Each type of minerals exhibited a specific interface interaction response with air bubbles in each collector with different pH values.The research results have theoretical guiding significance for the optimization and directional control of diasporic bauxite flotation conditions.
基金the partial financial support from the National Natural Science Foundation of China (22075171)。
文摘The hydrogen evolution reaction (HER) and dendrite growth associated with Zn anode have become the main bottlenecks for the further development of zinc ion batteries (ZIBs).In this work,the electrochemical activity of H_(3)O^(+) is inhibited by the supramolecular host–guest complex composed of H_(3)O^(+) as guest and 18-crown-6 as host.The even Zn plating is induced by the host–guest complex electrostatic shielding layer on Zn anode,as detected by in-situ optical microscopy.The lamellar Zn is plated which profits from the improved Zn plating behavior.Density functional theory (DFT) calculation presents the stable structure of complex.The less produced H_(2) content is monitored online by a mass spectrometer during Zn plating/stripping,which indicates HER can be hampered by the host–guest behavior.Thus,the ZIBs with long life and high Coulombic efficiency are achieved via introducing 18-crown-6.The proposed host–guest supramolecular interaction is expected to facilitate the furthermore development of Zn batteries.
基金the National Institute of Allergy and Infectious Diseases of the National Institutes of Health under award number K22AI136686the South Carolina IDeA Networks of Biomedical Research Excellence Developmental Research Project funded by the National Institute of GeneralMedical Sciences of the National Institutes of Health.
文摘The signature events caused by host-guest interactions in the nanopore system can be used as a novel and characteristic signal in quantitative detection and analysis of various molecules.However,the effect of several electrochemical factors on the host-guest interactions in nanopore still remains unknown.Here,we systematically studied host-guest interactions,especially oscillation of DNA-azide adamantane@cucurbit[6]inα-Hemolysin nanopore under varying pH,concentration of electrolytes and counterions(Li+,Na+,K+).Our results indicate correlations between the change of pH and the duration of the oscillation signal.In addition,the asymmetric electrolyte concentration and the charge of the counterions affects the frequency of signature events in oscillation signals,and even the integrity of the protein nanopore.This study provides insight into the design of a future biosensing platform based on signature oscillation signals of the host-guest interaction within a nanopore.
基金Funded by Jiangsu Transportation Research Program(No. 05Y07)
文摘Through scanning electron microscope (SEM), spectral analysis, and component analysis tests, the interaction theory between asphalt and rubber was discussed. It is concluded that rubber powder become soft and bond together with each other after being mixed with asphalt. The asphalt changes from a smooth homogeneous matter to a continuous mixing system which is composed of rubber powder and asphalt. The interaction is mainly physical diffusion, but there are some chemical reactions in the process, especially at long reaction time.
基金National Natural Science Foundation of China under Grant Nos.51427901 and 51678407Tianjin Municipal Education Commission under Grant No.2021KJ055Fundamental Research Funds for the Central Universities of China under Grant No.2000560616。
文摘The effects of ground motion spatial variability(GMSV)or fluid-structure interaction(FSI)on the seismic responses of deep-water bridges have been extensively examined.However,there are few studies on the seismic performance of bridges considering GMSV and FSI effects simultaneously.In this study,the original multiple-support response spectrum(MSRS)method is extended to consider FSI effect for seismic analysis of deep-water bridges.The solution of hydrodynamic pressure on a pier is obtained using the radiation wave theory,and the FSI-MSRS formulation is derived according to the random vibration theory.The influence of FSI effect on the related coefficients is analyzed.A five-span steel-concrete continuous beam bridge is adopted to conduct the numerical simulations.Different load conditions are designed to investigate the variation of the bridge responses when considering the GMSV and FSI effects.The results indicate that the incoherence effect and wave passage effect decrease the bridge responses with a maximum percentage of 86%,while the FSI effect increases the responses with a maximum percentage of 26%.The GMSV and FSI effects should be included in the seismic design of deep-water bridges.
基金supported by grants from the National Natural Science Foundation of China (21303086)the Natural Science Foundation of Jiangsu Province (BK20130884)the Research Fund for Doctoral Program of Higher Education (20123234120012)
文摘Ursolic acid(UA) and oleanolic acid(OA) are insoluble drugs. The objective of this study was to encapsulate them into β-cyclodextrin(β-CD) and compare the solubility and intermolecular force of β-CD with the two isomeric triterpenic acids. The host-guest interaction was explored in liquid and solid state by ultraviolet-visible absorption,1H NMR, phase solubility analysis, and differential scanning calorimetry, X-ray powder diffractometry, and molecular modeling studies. Both experimental and theoretical studies revealed that β-CD formed 1: 1 water soluble inclusion complexes and the complexation process was naturally favorable. In addition, the overall results suggested that ring E with a carboxyl group of the drug was encapsulated into the hydrophobic CD nanocavity. Therefore, a clear different inclusion behavior was observed, and UA exhibited better affinity to β-CD compared with OA in various media due to little steric interference, which was beneficial to form stable inclusion complex with β-CD and increase its water solubility effectively.
文摘Five fully optimized structures of complexes between aza-calix[6]arene host monomers(Ma~Me) and complexes(a~e) have been obtained at the B3LYP/6-31G(d) level.Natural bond orbital(NBO) analysis was performed to reveal the origin of the interaction.The intermolecular interaction energy was evaluated with basis set superposition error correction(BSSE) and zero point energy correction(ZPEC).The B3LYP/6-31G(d) calculations on the five complexes have shown that the greatest interaction(–13.98 kJ/mol) is found in the complex between HMX and hexa-aza-calix[3]-p-tri-arene[3]-2-amido-1,3,5-tri-azine.The results have indicated that intermolecular interaction energies of aza-calix[6]arenes with substituted group are stronger than those without substituted group,and those with amido are greater than with nitryl.Thus,hexa-azacalix[3]-p-tri-arene[3]-2-amido-1,3,5-tri-azine is rather equal to eliminate HMX from explosive waste water.
文摘This article offers an overview of theoretical ideas and recent empirical research by referring to the interactive communication between teachers and learners in a second language classroom.Both the interaction of teacher-centered classroom and learner-centered classroom are reviewed within the context of sociocultural theory.The paper attempts to indicate the better effect of language learning can be achieved by complementing one another in the classroom of teacher-centeredness and learner-centeredness.
基金This work was support by the National Natural Science Foundation of China(NSFC,No.2037402790103036).
文摘Entropic contribution to the interaction parameter (?) in the model incompressible polymer/oligomer system iscalculated by the lattice cluster theory(LCT).It is found that in the oligomer solvent,there exists a wide concentration rangethat the non-combinatorial“entropic interaction”term (?)φ_1φ_2 perceptibly counteracts the mean field combinary entropy△S_(MF).With the increase of the solvent size,both (?) and the ratio (?)φ_1φ_2/△S_(MF) first reach their maximum and finallybecome trivially to zero.It is worth noting that no any demixing was found in the current calculation.This makes thecontroversial idea“entropically driven demixing”even elusive.However,we propose that further work on compressiblepolymer solution with structured monomer will witness the demixing owning to an increased configurational correlation.
基金This work was supported by the National Natural Science Foundation of China (No.20676051 and No.20573048) and the Important Construction Project (category A) of Shanghai Jiao Tong University (No.AE150085).
基金This study was supported by the Humanities and Social Sciences Project of the Ministry of Education(No.23YJA790070)the Graduate Innovation Research Project of Southwest Minzu University(No.YB2022621)the Research Project of BCIMY(No.BCIMY1910).
文摘Establishing a sense of ritual within tourism consumption scenarios offers tourists the opportunity for interactive engagement.Drawing upon the value co-creation theory,this study constructed an influence mechanism model to examine tourists'active engagement in the process of co-creating tourism experience values.It employed Partial Least Squares Structural Equation Modeling(PLS-SEM)to empirically test the proposed hypotheses.The findings demonstrate that the model constructed in the present study exhibits robust reliability,validity,and explanatory power.The perception of the sense of ritual in tourism exerts a significant positive influence on tourists’co-creation of tourism experience values,thereby significantly enhancing both the communitas and flow experienced by tourists during their travels.Moreover,such communitas and flow can mediate the influence of the sense of ritual in tourism on tourists’co-creation of tourism experience values.This study contributes to advancing the current research on tourists’co-creation of tourism experience values and the sense of ritual in tourism,thereby providing theoretical foundations for cultivating a sense of ritual within tourism consumption scenarios.
文摘I utilize a differentiable dynamical system á la Lotka-Voletrra and explain monetary and fiscal interaction in a supranational monetary union. The paper demonstrates an applied mathematical approach that provides useful insights about the interaction mechanisms in theoretical economics in general and a monetary union in particular. I find that a common central bank is necessary but not sufficient to tackle the new interaction problems in a supranational monetary union, such as the free-riding behaviour of fiscal policies. Moreover, I show that supranational institutions, rules or laws are essential to mitigate violations of decentralized fiscal policies.
基金Supported by Student Innovation Project of University of Science and Technology Liaoning in 2017(201710146000016)
文摘With constant economic development and continuous improvement of living standards in Northeast China,rural tourism,as a new type of tourism,is increasingly favored. From the perspective of symbolic interaction theory,taking the current situation of rural tourism in Northeast China as an example,this paper explained the semiotic significance between hosts and guests in rural tourism. It established the evaluation indicators for authentic symbolic perception of rural tourism. Also,combined with the theories of sociology and anthropology,it studied the interaction between hosts and tourists of rural tourism in Northeast China.