Machine learning with active pharmaceutical ingredient/polymer interaction mechanism:Prediction for complex phase behaviors of pharmaceuticals and formulations

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.

Blade Wrap Angle Impact on Centrifugal Pump Performance:Entropy Generation and Fluid-Structure Interaction Analysis

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.

Exactly Solvable Two-Parameter Models of Relativistic δ′s -Sphere Interactions in Quantum Mechanics

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.

An analysis of the interaction mechanism between the social history of medicine research and health communication from the perspective of mass communication

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.

Application of Scaffolding Theory to Higher Vocational Students Classroom Interaction in English Teaching

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.

Interactions between bubble and particles of key minerals of diasporic bauxite through the extended DLVO theory

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.

Interaction Theory of Asphalt and Rubber

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.

An extended multiple-support response spectrum method incorporating fluid-structure interaction for seismic analysis of deep-water bridges

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.

Density Functional Theory Studies on the Intermolecular Interactions of Five Aza-calix[6]arene Host with HMX

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.

Computation of Ship Hydrodynamic Interaction Forces in Restricted Waters using Potential Theory

计算机代码基于双身体潜力流动模型和经典来源，面板方法被开发了包括海床学习和稳固的边界的在轮船和另外的对象之间的水动力学相互作用的各种各样的问题。建议实现的一个怪癖是为模仿大延期的稳定的边界的所谓的动人补丁的方法的应用程序。方法基于在任何时刻，就谎言关门到交往的轮船的边界(动人的补丁) 的部分为近地的相互作用是重要的一个假设。为扁平的底部的一个特定的盒子，比较计算被执行基于在可接受的精确性和合理效率之间的交易决定补丁并且组成的面板的最佳的尺寸。方法被使用在越过一条挖出的隧道倾斜地移动的轮船壳上估计摇摆力量。当坦克数据是可得到的时，方法为 ship-to-ship 相互作用的一个盒子被验证。这研究也包含对为与精炼的各种各样的度创造轮船壳的一致 discretizations 必要的一个最新发达的花键近似算法的描述。

Sociocultural Theory on Interaction between Teachers and Learners in a Second Language Classroom

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.

ENTROPIC CONTRIBUTION TO THE INTERACTION PARAMETER x IN THE POLYMER/OLIGOMER SYSTEM:A LATTICE CLUSTER THEORY CONSIDERATION

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.

Study on Interaction Between Two Parallel Plates with Iteration Method in Functional Theory

由介绍功能的理论进电的双层(EDL ) 的计算相互作用，二个平行盘子的相互作用精力在低、中等、高的潜力分别地是计算的。与二存在方法的结果相比， Debye-H 湲獥？

How Sense of Ritual in Tourism Impacts Tourists’Co-Creation of Tourism Experience Values:A Study Based on the Theory of Value Co-Creation

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.

Applied Mathematical Theory for Monetary-Fiscal Interaction in a Supranational Monetary Union

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.

The Interaction Betweena Reader and a Text in Reading Process —— the Application of Schemata Theory in Reading Two Poems

Inrevealingthenatureofreadingprocess,moreattentionhasbeengiventotheroleplayedbya reader.ThispaperdiscussestheapplicationofSchematatheoryinreadinginthelightofunderstandingandappre ciationoftwopoems.Bycomparingthetwopoemsinchoiceofwordsandinarrangementofthepoems,thispaper verifiesthepracticalinfluenceofschematatheoryinreadingprocess.

Interaction between Hosts and Guests of Rural Tourism in Northeast China Based on 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.

Theory of Dynamic Interactions: Laws of Motion

The aim of this paper is to present the laws of motion that can be derived from the Theory of Dynamic Interactions, and of its multiple and significant scientific applications. Based on a new interpretation on the behaviour of rigid bodies exposed to simultaneous non-coaxial rotations, we have developed a hypothesis regarding the dynamic behaviour of these bodies. From these hypotheses and following the observation of the behaviour of free bodies in space, we have developed axioms and a mathematical-physical model. Consequently, we have deduced a movement equation, coherent with the hypotheses and the observed behaviour. This dynamic model, in the case of rigid solid bodies or systems, allows putting forward a series of laws and corollaries in relation to its dynamic performance. These laws have subsequently been confirmed by experimental tests. The whole of this research constitutes a rational and conceptual structure which we have named Theory of Dynamic Interactions (TID). This logical deductive system allows predicting the behaviour of solid bodies subject to multiple accelerations by rotation. In the conclusions, we underline that coherence has been obtained between the principles and axioms, the developed physical-mathematical model, the obtained movement equation, the deduced laws and the realised experimental tests.

Discretization and Interaction of Fields via the Classical Kaluza-Klein Theory

We show how the metric of a five-dimensional hyperspace-time can be used to model the quantum nature of electromagnetic interactions. The space-time neighborhood of the point where such an interaction takes place bends according to the curl and the derivative of the local electromagnetic four-potential, both calculated in the direction of the latter. In this geometric setting, the presence of a non-gravitational field is needed to induce the discretization of any gravitational field. We also exploit two variants of the classical Kaluza-Klein five-dimensional theory to obtain coupled generalizations of Einstein’s and Maxwell’s equations. The first variant involves an unspecified scalar field that may be related to the inflaton. The equations of the second variant show a direct interdependency of gravitation and electromagnetism that would emerge or be activated through the production of electromagnetic waves.

Improved Ligand-Field Theory with Effect of Electron-Phonon Interaction

Traditional ligand-field theory has to be improved by taking into account both 'pure electronic' contribution and electron-phonon interaction one (including lattice-vibrational relaxation energy). By means of improved ligand-field theory, R1, R2, R'3, R'2, and R'1 lines, U band, ground-state zero-field-splitting (GSZFS), and ground-state g factors of ruby and/or GSGG: Cr3+ as well as thermal shifts of GSZFS, R1 line and R2 line of ruby have been calculated.The results are in very good agreement with the experimental data. Moreover, it is found that the value of cubic-field parameter given by traditional ligand-field theory is inappropriately large. For thermal shifts of GSZFS, R1 line and R2 line of ruby, several conclusions have also been obtained.