Impact of different interaction behavior on epidemic spreading in time-dependent social networks

We investigate the impact of pairwise and group interactions on the spread of epidemics through an activity-driven model based on time-dependent networks.The effects of pairwise/group interaction proportion and pairwise/group interaction intensity are explored by extensive simulation and theoretical analysis.It is demonstrated that altering the group interaction proportion can either hinder or enhance the spread of epidemics,depending on the relative social intensity of group and pairwise interactions.As the group interaction proportion decreases,the impact of reducing group social intensity diminishes.The ratio of group and pairwise social intensity can affect the effect of group interaction proportion on the scale of infection.A weak heterogeneous activity distribution can raise the epidemic threshold,and reduce the scale of infection.These results benefit the design of epidemic control strategy.

Epicatechin attenuates lead(Pb)-induced cognitive impairment in mice:regulation on Nrf2 signaling pathway,and interference on the interaction between Pb with albumin

Epicatechin(EC)was used in this study to antagonize the cognitive dysfunction caused by lead(Pb)exposure in mice.Eight-week-old male Kunming mice were treated with PbCl_(2)(20 mg/kg)and/or EC(50 mg/kg)by gavage administration for 4 weeks.Morris water maze test showed that EC could improve memory dysfunction induced by Pb.EC antagonized Ca^(2+)overload,activated Nrf2 signaling pathway and reduced the accumulation of Pb in the brain and serum,which suggested that EC might alter Pb distribution in mice.In vitro,spectroscopic analysis,potentiometric titration and docking studies were applied to inquiry into the interaction between bovine serum albumin(BSA)and Pb^(2+)in presence or absence of EC.EC was proved to chelate Pb^(2+)and reduced the interaction between BSA and Pb^(2+).In summary,EC might protect Pb-induced cognitive impairment by activating Nrf2 signaling pathway,and suppressing Pb accumulation via interference on the binding of Pb to albumin.

Organic-Inorganic Interaction Recorded by Polycyclic Aromatic Steranes in Continental Epithermal Ore Deposits

Continental epithermal ore deposits are commonly associated with sedimentary organic matter,oils or solid bitumen.These organics embedded in mineral deposits can convey valuable information of the ore genesis.However,the extent to which the formation of ore minerals was recorded by organic compounds remains largely unknown,as also is how metal-rich ores interfere with the molecular proxies in the temperature regime envisaged for hydrothermal activity.The molecular compositional changes of various polycyclic aromatic steranes and polycyclic aromatic hydrocarbons and compounds derived from the Jinding Pb/Zn deposit,SW China provide new data.Aliphatic regular steranes are present as traces.The transformation from polycyclic aromatic steranes to unsubstituted polycyclic aromatic hydrocarbons is observed to show an increased trend with increasing hydrothermal alteration levels;this is consistent with the transformation from unsubstituted polycyclic aromatic hydrocarbons to heterocyclic compounds.Dehydrocyclization(aromatization)of polycyclic biological compounds and hydrodecyclization(dearomatization)of polycyclic aromatic compounds are two important reaction pathways in hydrothermal systems with moderate temperature.This detailed investigation of organicinorganic interactions of two groups of polycyclic compounds with metal-rich ores provides insights into the questions on how and to what extent the formation of Pb/Zn deposits can be recorded by organics.This work will improve our understanding of carbon reduction,oxidation or condensation in the deep Earth and the carbon exchange between the Earth's crust and mantle,and may shed light on the processes for ultra-deep hydrocarbon exploration.

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.

Strong metal–support interaction boosts the electrocatalytic hydrogen evolution capability of Ru nanoparticles supported on titanium nitride

Ruthenium(Ru)has been regarded as one of the most promising alternatives to substitute Pt for catalyzing alkaline hydrogen evolution reaction(HER),owing to its inherent high activity and being the cheapest platinum-group metal.Herein,based on the idea of strong metal–support interaction(SMSI)regulation,Ru/TiN catalysts with different degrees of TiN overlayer over Ru nanoparticles were fabricated,which were applied to the alkaline electrolytic water.Characterizations reveal that the TiN overlayer would gradually encapsulate the Ru nanoparticles and induce more electron transfer from Ru nanoparticles to TiN support by the Ru–N–Ti bond as the SMSI degree increased.Further study shows that the exposed Ru–TiN interfaces greatly promote the H_(2) desorption capacity.Thus,the Ru/TiN-300 with a moderate SMSI degree exhibits excellent HER performance,with an overpotential of 38 mV at 10 mA cm^(−2).Also,due to the encapsulation role of TiN overlayer on Ru nanoparticles,it displays super long-term stability with a very slight potential change after 24 h.This study provides a deep insight into the influence of the SMSI effect between Ru and TiN on HER and offers a novel approach for preparing efficient and stable HER electrocatalysts through SMSI engineering.

Electrostatic Interaction-directed Construction of Hierarchical Nanostructured Carbon Composite with Dual Electrical Conductive Networks for Zinc-ion Hybrid Capacitors with Ultrastability

Metal-organic framework(MOF)-derived carbon composites have been considered as the promising materials for energy storage.However,the construction of MOF-based composites with highly controllable mode via the liquid-liquid synthesis method has a great challenge because of the simultaneous heterogeneous nucleation on substrates and the self-nucleation of individual MOF nanocrystals in the liquid phase.Herein,we report a bidirectional electrostatic generated self-assembly strategy to achieve the precisely controlled coatings of single-layer nanoscale MOFs on a range of substrates,including carbon nanotubes(CNTs),graphene oxide(GO),MXene,layered double hydroxides(LDHs),MOFs,and SiO_(2).The obtained MOF-based nanostructured carbon composite exhibits the hierarchical porosity(V_(meso)/V_(micro)∶2.4),ultrahigh N content of 12.4 at.%and"dual electrical conductive networks."The assembled aqueous zinc-ion hybrid capacitor(ZIC)with the prepared nanocarbon composite as a cathode shows a high specific capacitance of 236 F g^(-1)at 0.5 A g^(-1),great rate performance of 98 F g^(-1)at 100 A g^(-1),and especially,an ultralong cycling stability up to 230000 cycles with the capacitance retention of 90.1%.This work develops a repeatable and general method for the controlled construction of MOF coatings on various functional substrates and further fabricates carbon composites for ZICs with ultrastability.

Biological Interaction and Imaging of Ultrasmall Gold Nanoparticles

Ultrasmall gold nanoparticles(AuNPs)typically includes atomically precise gold nanoclusters(AuNCs)and AuNPs with a core size below 3 nm.Serving as a bridge between small molecules and traditional inorganic nanoparticles,the ultrasmall AuNPs show the unique advantages of both small molecules(e.g.,rapid distribution,renal clearance,low non-specific organ accumulation)and nanoparticles(e.g.,long blood circulation and enhanced permeability and retention effect).The emergence of ultrasmall AuNPs creates significant opportunities to address many challenges in the health field including disease diagnosis,monitoring and treatment.Since the nano–bio interaction dictates the overall biological applications of the ultrasmall AuNPs,this review elucidates the recent advances in the biological interactions and imaging of ultrasmall AuNPs.We begin with the introduction of the factors that influence the cellular interactions of ultrasmall AuNPs.We then discuss the organ interactions,especially focus on the interactions of the liver and kidneys.We further present the recent advances in the tumor interactions of ultrasmall AuNPs.In addition,the imaging performance of the ultrasmall AuNPs is summarized and discussed.Finally,we summarize this review and provide some perspective on the future research direction of the ultrasmall AuNPs,aiming to accelerate their clinical translation.

Ecological network analysis reveals complex responses of tree species life stage interactions to stand variables

Tree interactions are essential for the structure,dynamics,and function of forest ecosystems,but variations in the architecture of life-stage interaction networks(LSINs)across forests is unclear.Here,we constructed 16 LSINs in the mountainous forests of northwest Hebei,China based on crown overlap from four mixed forests with two dominant tree species.Our results show that LSINs decrease the complexity of stand densities and basal areas due to the interaction cluster differentiation.In addition,we found that mature trees and saplings play different roles,the first acting as“hub”life stages with high connectivity and the second,as“bridges”controlling information flow with high centrality.Across the forests,life stages with higher importance showed better parameter stability within LSINs.These results reveal that the structure of tree interactions among life stages is highly related to stand variables.Our efforts contribute to the understanding of LSIN complexity and provide a basis for further research on tree interactions in complex forest communities.

Epi-1对脂多糖诱导人牙髓干细胞炎症反应的影响

目的研究生物活性肽Epi-1在脂多糖(LPS)诱导下的炎症微环境中对人牙髓干细胞(hDPSC)表达炎症因子的影响和可能机制。方法通过组织块酶消化法分离、培养hDPSC,并通过流式细胞术鉴定。利用CCK-8试剂检测Epi-1对hDPSC细胞活性的影响,筛选出适宜的浓度。实验分为4组,分别为空白对照组(不含LPS和Epi-1)、LPS组(1.0μg/mL LPS)、2.5μg/mL Epi-1组(1.0μg/mL LPS和2.5μg/mL Epi-1)和5.0μg/mL Epi-1组(1.0μg/mL LPS和5.0μg/mL Epi-1),通过实时荧光定量聚合酶链式反应检测Epi-1对hDPSC白介素(IL)-6、IL-1β、IL-8基因表达的影响,进一步通过蛋白质免疫印迹法检测核因子κB信号通路关键蛋白p65、p-p65的表达情况,使用荧光探针检测活性氧生成情况。采用SPSS 22.0分析数据。结果在2.5、5.0μg/mL的质量浓度下,Epi-1无明显细胞毒性;Epi-1可显著降低LPS诱导后hDPSC中IL-6、IL-1β、IL-8的mRNA表达(P<0.01),减少p-p65的表达(P<0.05)和活性氧的生成(P<0.001)。结论Epi-1可能通过抑制核因子κB信号通路的激活和减轻氧化应激反应,从而降低LPS诱导的hDPSC的炎症反应。

Study of the Relationship Between New Ionic Interaction Parameters and Salt Solubility in Electrolyte Solutions Based on Molecular Dynamics Simulation

Studying the relationship between ionic interactions and salt solubility in seawater has implications for seawater desalination and mineral extraction.In this paper,a new method of expressing ion-to-ion interaction is proposed by using molecular dynamics simulation,and the relationship between ion-to-ion interaction and salt solubility in a simulated seawater water-salt system is investigated.By analyzing the variation of distance and contact time between ions in an electrolyte solution,from both spatial and temporal perspectives,new parameters were proposed to describe the interaction between ions:interaction distance(ID),and interaction time ratio(ITR).The best correlation between characteristic time ratio and solubility was found for a molar ratio of salt-to-water of 10:100 with a correlation coefficient of 0.96.For the same salt,a positive correlation was found between CTR and the molar ratio of salt and water.For type 1-1,type 2-1,type 1-2,and type 2-2 salts,the correlation coefficients between CTR and solubility were 0.93,0.96,0.92,and 0.98 for a salt-to-water molar ratio of 10:100,respectively.The solubility of multiple salts was predicted by simulations and compared with experimental values,yielding an average relative deviation of 12.4%.The new ion-interaction parameters offer significant advantages in describing strongly correlated and strongly hydrated electrolyte solutions.

Interatomic Interaction Models for Magnetic Materials:Recent Advances

Atomistic modeling is a widely employed theoretical method of computational materials science.It has found particular utility in the study of magnetic materials.Initially,magnetic empirical interatomic potentials or spinpolarized density functional theory(DFT)served as the primary models for describing interatomic interactions in atomistic simulations of magnetic systems.Furthermore,in recent years,a new class of interatomic potentials known as magnetic machine-learning interatomic potentials(magnetic MLIPs)has emerged.These MLIPs combine the computational efficiency,in terms of CPU time,of empirical potentials with the accuracy of DFT calculations.In this review,our focus lies on providing a comprehensive summary of the interatomic interaction models developed specifically for investigating magnetic materials.We also delve into the various problem classes to which these models can be applied.Finally,we offer insights into the future prospects of interatomic interaction model development for the exploration of magnetic materials.

Resistive field generation in intense proton beam interaction with solid targets

The Brown-Preston-Singleton(BPS)stopping power model is added to our previously developed hybrid code to model ion beam-plasma interaction.Hybrid simulations show that both resistive field and ion scattering effects are important for proton beam transport in a solid target,in which they compete with each other.When the target is not completely ionized,the self-generated resistive field effect dominates over the ion scattering effect.However,when the target is completely ionized,this situation is reversed.Moreover,it is found that Ohmic heating is important for higher current densities and materials with high resistivity.The energy fraction deposited as Ohmic heating can be as high as 20%-30%.Typical ion divergences with half-angles of about 5°-10°will modify the proton energy deposition substantially and should be taken into account.

Isotope Tracking of Surface Water Groundwater Interaction in the Beninese Part of the Iullemeden Aquifer System

The Kandi basin is located in northeast Benin (West Africa). This study is focused on the estimation of water fluxes exchanged between the river Niger (and its tributaries) and the transboundary Iullemeden Aquifer System. In that framework, an innovative approach based on the application of the Bayesian Mixing Model (MixSIAR) analysis on water isotopes (oxygen-18, deuterium and tritium) was performed. Moreover, to assess the relevance of the model outputs, Pearson’s correlation and Principal Component Analysis (PCA) have been done. A complex relationship between surface water and groundwater has been found. Sixty percent (60%) of groundwater samples are made of more than 70% river water and rainwater;while 31.25% of surface water samples are made of about 84% groundwater. To safeguard sustainable water resources for the well-being of the local communities, surface water and groundwater must be managed as a unique component in the Kandi basin.

Numerical investigation of the effects of soil-structure and granular material-structure interaction on the seismic response of a flat-bottom reinforced concrete silo

In this work,a numerical study of the effects of soil-structure interaction(SSI)and granular material-structure interaction(GSI)on the nonlinear response and seismic capacity of flat-bottomed storage silos is conducted.A series of incremental dynamic analyses(IDA)are performed on a case of large reinforced concrete silo using 10 seismic recordings.The IDA results are given by two average IDA capacity curves,which are represented,as well as the seismic capacity of the studied structure,with and without a consideration of the SSI while accounting for the effect of GSI.These curves are used to quantify and evaluate the damage of the studied silo by utilizing two damage indices,one based on dissipated energy and the other on displacement and dissipated energy.The cumulative energy dissipation curves obtained by the average IDA capacity curves with and without SSI are presented as a function of the base shear,and these curves allow one to obtain the two critical points and the different limit states of the structure.It is observed that the SSI and GSI significantly influence the seismic response and capacity of the studied structure,particularly at higher levels of PGA.Moreover,the effect of the SSI reduces the damage index of the studied structure by 4%.

Temporal trends and cohort variations of gender-specific major depressive disorders incidence in China:analysis based on the age-period-cohortinteraction model

Background Major depressive disorders(MDDs)impose substantial burdens on individuals and society;however,further detailed analysis is still needed for its long-term trends.Aims This study aimed to analyse the gender-specific temporal trends and cohort variations of MDD incidence among Chinese residents over the past three decades.Methods Employing the age-period-cohort-interaction model and leveraging data from the Global Burden of Disease Study 2019,this research identified and analysed incidence trends of MDD among Chinese males and females aged 5-94 years from 1990 to 2019 across three dimensions,encompassing age,period and birth cohort.Results The analysis reveals age-related effects,indicating heightened MDD risk among adolescents and older adults.Specifically,individuals entering the older adulthood at the age of 65-69 significantly increased the risk of MDD by 64.9%.People aged 90-94 years witnesseda 105.4%increase in MDD risk for the overall population,with females and males in this age group experiencing a 75.1%and 103.4%increase,respectively.In terms of period effects,the risk of MDD displayed a decline from 1990 to 1994,followed by a rebound in 2008.Cohort effects demonstrated diverse generational patterns,with generationⅠand generationⅢmanifesting opposing‘age-as-level'trends.GenerationⅡand generationⅣexhibited'cumulative disadvantage'and'cumulative advantage'patterns,respectively.Age effects indicated an overall higher risk of MDD incidence in females,while cohort effects showed greater variations of MDD incidence among females.Conclusions The study underscores the substantial effects of age,period and cohort on MDD across genders in China.Priority interventions targeting vulnerable populations,including children,adolescents,older adults,females and the post-millennium birth cohort,are crucial to mitigate the impact of MDD.

Dynamical nonlinear excitations induced by interaction quench in a two-dimensional box-trapped Bose-Einstein condensate

Manipulating nonlinear excitations,including solitons and vortices,is an essential topic in quantum many-body physics.A new progress in this direction is a protocol proposed in[Phys.Rev.Res.2043256(2020)]to produce dark solitons in a one-dimensional atomic Bose–Einstein condensate(BEC)by quenching inter-atomic interaction.Motivated by this work,we generalize the protocol to a two-dimensional BEC and investigate the generic scenario of its post-quench dynamics.For an isotropic disk trap with a hard-wall boundary,we find that successive inward-moving ring dark solitons(RDSs)can be induced from the edge,and the number of RDSs can be controlled by tuning the ratio of the after-and before-quench interaction strength across different critical values.The role of the quench played on the profiles of the density,phase,and sound velocity is also investigated.Due to the snake instability,the RDSs then become vortex–antivortex pairs with peculiar dynamics managed by the initial density and the after-quench interaction.By tuning the geometry of the box traps,demonstrated as polygonal ones,more subtle dynamics of solitons and vortices are enabled.Our proposed protocol and the discovered rich dynamical effects on nonlinear excitations can be realized in near future cold-atom experiments.

Dzyaloshinskii–Moriya interaction and field-free sub-10 nm topological magnetism in Fe/bismuth oxychalcogenides heterostructures

Topological magnetism with strong robustness,nanoscale dimensions and ultralow driving current density(106 A/m^(2))is promising for applications in information sensing,storage,and processing,and thus sparking widespread research interest.Exploring candidate material systems with nanoscale size and easily tunable properties is a key for realizing practical topological magnetism-based spintronic devices.Here,we propose a class of ultrathin heterostructures,Fe/Bi_(2)O_(2)X(X=S,Se,Te)by deposing metal Fe on quasi-two-dimensional(2D)bismuth oxychalcogenides Bi_(2)O_(2)X(X=S,Se,Te)with excellent ferroelectric/ferroelastic properties.Large Dzyaloshinskii–Moriya interaction(DMI)and topological magnetism can be realized.Our atomistic spin dynamics simulations demonstrate that field-free vortex–antivortex loops and sub-10 nm skyrmions exist in Fe/Bi_(2)O_(2)S and Fe/Bi_(2)O_(2)Se interfaces,respectively.These results provide a possible strategy to tailor topological magnetism in ultrathin magnets/2D materials interfaces,which is extremely vital for spintronics applications.

The Gravitational Interaction between Moving Mass Particles Explained by the Theory of Informatons

In the article “Newtons Law of Universal Gravitation Explained by the Theory of Informatons” the gravitational interaction between mass particles at rest has been explained by the hypothesis that g-information carried by informatons is the substance of the medium that the interaction in question makes possible. It has been showed that, on the macroscopic level, that medium—the “gravitational field”—manifests itself as the vector field Eg. In this article we will deduce from the postulate of the emission of informatons, that the informatons emitted by a moving mass particle carry not only information about the position (g-information) but also about the velocity (“β-information”) of their emitter. It follows that the gravitational field of a moving mass particle is a dual entity always having a field- and an induction-component (Egand Bg) simultaneously created by their common sources: time-variable masses and mass flows and that the gravitational interaction is the effect of the fact that an object in a gravitational field always tends to become “blind” for that field by accelerating according to a Lorentz-like law.

Dynamics of Non-Markovianity, Quantum Correlations and Information Scrambling of Three Qubits Systems Interacting via Rashba Interaction

The behavior of the quantum correlations, information scrambling and the non-Markovianity of three entangling qubits systems via Rashba is discussed. The results showed that, the three physical quantities oscillate between their upper and lower bounds, where the number of oscillations increases as the Rashba interaction strength increases. The exchanging rate of these three quantities depends on the Rashba strength, and whether the entangled state is generated via direct/indirect interaction. Moreover, the coherence parameter can be used as a control parameter to maximize or minimize the three physical quantities.

Probing the interaction between asphaltene-wax and its effects on the crystallization behavior of waxes in heavy oil via molecular dynamics simulation

High content of asphaltenes and waxes leads to the high pour point and the poor flowability of heavy oil,which is adverse to its efficient development and its transportation in pipe.Understanding the interaction mechanism between asphaltene-wax is crucial to solve these problems,but it is still unclear.In this paper,molecular dynamics simulation was used to investigate the interaction between asphaltenewax and its effects on the crystallization behavior of waxes in heavy oil.Results show that molecules in pure wax are arranged in a paralleled geometry.But wax molecules in heavy oil,which are close to the surface of asphaltene aggregates,are bent and arranged irregularly.When the mass fraction of asphaltenes in asphaltene-wax system(ω_(asp))is 0-25 wt%,the attraction among wax molecules decreases and the bend degree of wax molecules increases with the increase ofω_(asp).Theω_(asp)increases from 0 to 25 wt%,and the attraction between asphaltene-wax is stronger than that among waxes.This causes that the wax precipitation point changes from 353 to 333 K.While theω_(asp)increases to 50 wt%,wax molecules are more dispersed owing to the steric hindrance of asphaltene aggregates,and the interaction among wax molecules transforms from attraction to repulsion.It causes that the ordered crystal structure of waxes can't be formed at normal temperature.Simultaneously,the asphaltene,with the higher molecular weight or the more hetero atoms,has more obvious inhibition to the formation of wax crystals.Besides,resins also have an obvious inhibition on the wax crystal due to the formation of asphalteneresin aggregates with a larger radius.Our results reveal the interaction mechanism between asphaltene-wax,and provide useful guidelines for the development of heavy oil.