Modulating vectored non-covalent interactions for layered assembly with engineerable properties

Vectored non-covalent interactions—mainly hydrogen bonding and aromatic interactions—extensively contribute to(bio)-organic self-assembling processes and significantly impact the physicochemical properties of the associated superstructures.However,vectored non-covalent interaction-driven assembly occursmainly along one-dimensional(1D)or three-dimensional(3D)directions,and a two-dimensional(2D)orientation,especially that of multilayered,graphene-like assembly,has been reported less.In this present research,by introducing amino,hydroxyl,and phenyl moieties to the triazine skeleton,supramolecular layered assembly is achieved by vectored non-covalent interactions.The planar hydrogen bonding network results in high stability,with a thermal sustainability of up to about 330°C and a Young’s modulus of up to about 40 GPa.Upon introducing wrinkles by biased hydrogen bonding or aromatic interactions to disturb the planar organization,the stability attenuates.However,the intertwined aromatic interactions prompt a red edge excitation shift effect inside the assemblies,inducing broad-spectrum fluorescence covering nearly the entire visible light region(400–650 nm).We show that bionic,superhydrophobic,pillar-like arrays with contact angles of up to about 170°can be engineered by aromatic interactions using a physical vapor deposition approach,which cannot be realized through hydrogen bonding.Our findings show the feasibility of 2D assembly with engineerable properties by modulating vectored non-covalent interactions.

Influence of non-covalent interactions on properties of lanthanide systems with aromatic ligands

Two series of lanthanide compounds, namely, chlorides containing different numbers of both 1,10-phenanthroline （Phen） molecules and chloride anions in the first coordination sphere, and Schiff Bases （SBs） derived from Pyridoxal （PL） and amino acids, were characterized by single crystal X-ray diffraction and luminescence techniques. The combined use of these techniques for the analysis of long-distance europium non-covalent interactions was performed for the first time. As a result, the correlation between supramolecular organization and the features of the Eum electronic transitions was found for the compounds of the first series. Strong non-covalent interactions between pyridoxal tings of SBs （the second series of compotmd） led to the formation of 1：2 species and four-dentate coordination function of these SBs in aqueous solution.

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.

Molecular dynamics simulations on the interactions between nucleic acids and a phospholipid bilayer

Recently,lipid nanoparticles(LNPs)have been extensively investigated as non-viral carriers of nucleic acid vaccines due to their high transport efficiency,safety,and straightforward production and scalability.However,the molecular mechanism underlying the interactions between nucleic acids and phospholipid bilayers within LNPs remains elusive.In this study,we employed the all-atom molecular dynamics simulation to investigate the interactions between single-stranded nucleic acids and a phospholipid bilayer.Our findings revealed that hydrophilic bases,specifically G in single-stranded RNA(ssRNA)and single-stranded DNA(ssDNA),displayed a higher propensity to form hydrogen bonds with phospholipid head groups.Notably,ssRNA exhibited stronger binding energy than ssDNA.Furthermore,divalent ions,particularly Ca2+,facilitated the binding of ssRNA to phospholipids due to their higher binding energy and lower dissociation rate from phospholipids.Overall,our study provides valuable insights into the molecular mechanisms underlying nucleic acidphospholipid interactions,with potential implications for the nucleic acids in biotherapies,particularly in the context of lipid carriers.

Strong metal-support interactions between highly dispersed Cu^(+) species and ceria via mix-MOF pyrolysis toward promoted water-gas shift reaction

The modulation of metal-support interfacial interaction is significant but challenging in the design of high-efficiency and high-stability supported catalysts.Here,we report a synthetic strategy to upgrade Cu-CeO_(2)interfacial interaction by the pyrolysis of mixed metal-organic framework(MOF)structure.The obtained highly dispersed Cu/CeO_(2)-MOF catalyst via this strategy was used to catalyze water-gas shift reaction(WGSR),which exhibited high activity of 40.5μmolCOgcat^(-1).s^(-1)at 300℃and high stability of about 120 h.Based on comprehensive studies of electronic structure,pyrolysis strategy has significant effect on enhancing metal-support interaction and then stabilizing interfacial Cu^(+)species under reaction conditions.Abundant Cu^(+)species and generated oxygen vacancies over Cu/CeO_(2)-MOF catalyst played a key role in CO molecule activation and H2O molecule dissociation,respectively.Both collaborated closely and then promoted WGSR catalytic performance in comparison with traditio nal supported catalysts.This study shall offer a robust approach to harvest highly dispersed catalysts with finely-tuned metal-support interactions for stabilizing the most interfacial active metal species in diverse heterogeneous catalytic reactions.

Effects of layer interactions on instantaneous stability of finite Stokes flows

The stability analysis of a finite Stokes layer is of practical importance in flow control. In the present work, the instantaneous stability of a finite Stokes layer with layer interactions is studied via a linear stability analysis of the frozen phases of the base flow. The oscillations of two plates can have different velocity amplitudes, initial phases, and frequencies. The effects of the Stokes-layer interactions on the stability when two plates oscillate synchronously are analyzed. The growth rates of two most unstable modes when δ < 0.12 are almost equal, and δ = δ*/h*, where δ*and h*are the Stokes-layer thickness and the half height of the channel, respectively. However, their vorticities are different. The vorticity of the most unstable mode is symmetric, while the other is asymmetric. The Stokes-layer interactions have a destabilizing effect on the most unstable mode when δ < 0.68, and have a stabilizing effect when δ > 0.68. However, the interactions always have a stabilizing effect on the other unstable mode. It is explained that one of the two unstable modes has much higher dissipation than the other one when the Stokes-layer interactions are strong. We also find that the stability of the Stokes layer is closely related to the inflectional points of the base-flow velocity profile. The effects of inconsistent velocity-amplitude, initial phase, and frequency of the oscillations on the stability are analyzed. The energy of the most unstable eigenvector is mainly distributed near the plate of higher velocity amplitude or higher oscillation frequency. The effects of the initial phase difference are complicated because the base-flow velocity is extremely sensitive to the initial phase.

FLOCKING OF A THERMODYNAMIC CUCKER-SMALE MODEL WITH LOCAL VELOCITY INTERACTIONS

In this paper, we study the flocking behavior of a thermodynamic Cucker–Smale model with local velocity interactions. Using the spectral gap of a connected stochastic matrix, together with an elaborate estimate on perturbations of a linearized system, we provide a sufficient framework in terms of initial data and model parameters to guarantee flocking. Moreover, it is shown that the system achieves a consensus at an exponential rate.

Assessment of the potential interactions between favipiravir and radiocontrast agents

BACKGROUND In cases of coronavirus disease 2019(COVID-19),favipiravir is commonly included to the therapy regimen.Drug interactions between favipiravir and other COVID-19 therapy drugs are frequently researched.However,no research on possible drug interactions between Favipiravir and radiocontrast agents,which have become almost crucial in diagnostic processes while not being part of the treatment,has been found.AIM To determine potential medication interactions between Favipiravir and radiocontrast agents.METHODS The study comprised patients who were taking Favipiravir for COVID-19 therapy and underwent a contrast-enhanced computed tomography(CT)or magnetic resonance imaging(MRI)test while taking the medicine.The computerized patient files of the cases included in the study,as well as the pharmacovigilance forms in the designated hospital,were evaluated for this purpose.RESULTS The study included the evaluation of data from 1046 patients.The study sample's mean age was 47.23±9.48 years.The mean age of cases with drug interactions was statistically significant greater than that of cases with no drug interactions(P=0.003).When evaluated with logistic regression analysis,a 1-year raises in age increases the risk of developing drug interactions by 1.63 times(P=0.023).There was no statistically significant difference in the occurrence of medication interactions between the sexes(P=0.090).Possible medication interactions were discovered in 42 cases(4%).CONCLUSION The findings of this study revealed that the most notable findings as a result of the combined use of contrast agents and favipiravir were increased creatinine and transaminase values,as well as an increase in the frequency of nausea and vomiting.The majority of drug interactions discovered were modest enough that they were not reflected in the clinic.Drug interactions become more common as people get older.

Capturing the non-equilibrium state in light–matter–free-electron interactions through ultrafast transmission electron microscopy

Ultrafast transmission electron microscope(UTEM) with the multimodality of time-resolved diffraction, imaging,and spectroscopy provides a unique platform to reveal the fundamental features associated with the interaction between free electrons and matter. In this review, we summarize the principles, instrumentation, and recent developments of the UTEM and its applications in capturing dynamic processes and non-equilibrium transient states. The combination of the transmission electron microscope with a femtosecond laser via the pump–probe method guarantees the high spatiotemporal resolution, allowing the investigation of the transient process in real, reciprocal and energy spaces. Ultrafast structural dynamics can be studied by diffraction and imaging methods, revealing the coherent acoustic phonon generation and photoinduced phase transition process. In the energy dimension, time-resolved electron energy-loss spectroscopy enables the examination of the intrinsic electronic dynamics of materials, while the photon-induced near-field electron microscopy extends the application of the UTEM to the imaging of optical near fields with high real-space resolution. It is noted that light–free-electron interactions have the ability to shape electron wave packets in both longitudinal and transverse directions, showing the potential application in the generation of attosecond electron pulses and vortex electron beams.

Growth and Interactions of Multi-Source Perturbations in Convection-Allowing Ensemble Forecasts

This study investigated the growth of forecast errors stemming from initial conditions(ICs),lateral boundary conditions(LBCs),and model(MO)perturbations,as well as their interactions,by conducting seven 36 h convectionallowing ensemble forecast(CAEF)experiments.Two cases,one with strong-forcing(SF)and the other with weak-forcing(WF),occurred over the Yangtze-Huai River basin(YHRB)in East China,were selected to examine the sources of uncertainties associated with perturbation growth under varying forcing backgrounds and the influence of these backgrounds on growth.The perturbations exhibited distinct characteristics in terms of temporal evolution,spatial propagation,and vertical distribution under different forcing backgrounds,indicating a dependence between perturbation growth and forcing background.A comparison of the perturbation growth in different precipitation areas revealed that IC and LBC perturbations were significantly influenced by the location of precipitation in the SF case,while MO perturbations were more responsive to convection triggering and dominated in the WF case.The vertical distribution of perturbations showed that the sources of uncertainties and the performance of perturbations varied between SF and WF cases,with LBC perturbations displaying notable case dependence.Furthermore,the interactions between perturbations were considered by exploring the added values of different source perturbations.For the SF case,the added values of IC,LBC,and MO perturbations were reflected in different forecast periods and different source uncertainties,suggesting that the combination of multi-source perturbations can yield positive interactions.In the WF case,MO perturbations provided a more accurate estimation of uncertainties downstream of the Dabie Mountain and need to be prioritized in the research on perturbation development.

Parallelization strategies for resolved simulations of fluid-structure-particle interactions

Fluid-structure-particle interactions in three spatial dimensions happen in many environmental and engineering flows.This paper presents the parallel algorithms for the hybrid diffuse and sharp interface immersed boundary(IB)method developed in our previous work.For the moving structure modeled using the sharp interface IB method,a recursive box method is developed for efficiently classifying the background grid nodes.For the particles modeled using the diffuse interface IB method,a‘master-slave’approach is adopted.For the particle-particle interaction(PPI)and particle-structure interaction(PSI),a fast algorithm for classifying the active and inactive Lagrangian points,which discretize the particle surface,is developed for the‘dry’contact approach.The results show that the proposed recursive box method can reduce the classifying time from 52seconds to 0.3 seconds.Acceptable parallel efficiency is obtained for cases with different particle concentrations.Furthermore,the lubrication model is utilized when a particle approaches a wall,enabling an accurate simulation of the rebounding phenomena in the benchmark particle-wall collision problem.At last,the capability of the proposed computational framework is demonstrated by simulating particle-laden turbulent channel flows with rough walls.

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.

A New Three-dimensional Supramolecular Polymer Built from Non-covalent Bonding Interactions

A new complex, [Ni2（L）4（H2O）8]（1, L1 = 4-（1H-imidazol-4-yl）benzoic acid）, has been hydrothermally prepared and characterized by single-crystal X-ray diffraction, IR spectroscopy, elemental analysis and PXRD. Complex 1 crystallizes in monoclinic, space group P21/c with α = 22.281（2）, b = 7.3959（7）, c = 24.978（3） ？, β = 90.876（10）, V = 4115.6（7） ？3, Z = 8, C20H22N4O8Ni, Mr = 505.13, Dc = 1.630 g/cm3, μ = 1.001 mm-1, S = 1.080, F（000） = 2096, the final R = 0.452 and wR = 0.1152 for 9380 observed reflections （I 〉 2σ（I））. The result of X-ray diffraction analysis revealed three different kinds of Ni（II） centre mononuclear molecules in the asymmetric unit. The independent mononuclear units are bridged to form a three-dimensional supramolecular polymer by extensive hydrogen bonds and C–H… non-covalent bonding interactions.

Synthesis, Crystal Structure and Non-covalent Interactions Analysis of Novel N-Substituted Thiosemicarbazone

()*￡-1 -(4-Fluorobenzylidene)^l-(4-ethylphenyl)thiosemicarbazone was synthesized via the reaction of 4-(4-ethylphenyl)thiosemicarbazide and 4-fluorobenzaldehyde. The title compound was characterized by FTIR, and 13C NMR, mass spectrometry and elemental analysis techniques. Structural property of the title compound was displayed by the X-ray single crystal diffraction. The title compound crystallized in triclinic space group Pl witli a=0.6494(4) nm,a=0.7971(5) nm, c=1.5492( 10) nm,a=83.690( 11)°,β=84.185(10)。γ=84.348(11)。molecular formula Ci6H16FN3S,Mr=301.39,V=0.7868(9) nm^3, Z=2, Dc=1.272 g/cm……3,^000)=316,“=0.213 mm-1, 5=1.02, 7?=O.O513, and cw7[Z>2o(Z)]=0.1662. The intennolecular interactions in the crystal structure were explained using the Hirshfeld surface and their associated two-dimensional fingerprint plots. The title compound showed C-H-S(l-x,-y,-z) and NH(1-y,-z) intermolecular interactions, and formed the supramolecular self-assemblies through R2^2(12) and R2^2(8) ring motifs. Shape index and curvediiess were performed to further understand some unique weak interactions, for instance, the weakπ…π stacking contacts in molecular structure witli difierent characteristic regions. Besides, the reduced density gradient(RDG) function provided a real-space function for discussing non-covalent interactions within molecule, such as hydrogen bonds, weak van der Waals interactions and attractive or repulsive effects.

Extra contribution to the crystal stability of insensitive explosive TATB: The cooperativity of intermolecular interactions

An in-depth analysis on the cooperativity of intermolecular interactions including hydrogen bonding andπ-π stacking in 1,3,5-triamino-2,4,6-trinitrobenzene(TATB) crystal was studied. Two quantities, cooperativity rate and energy, were defined to evaluate the nature and strength of cooperativity in a series of clusters diverging from 1D to 3D prototypes. The origin and mechanism of the cooperative effect were settled to demonstrate that the nature of cooperativity is determined by whether the non-covalent interactions compete or promote with each other, which is manifested by the changing trend of electron transfer. There exists obvious cooperative effect in intra-layer and inter-layer structures as they own the equivalent non-covalent interactions, while anti-cooperative effect is also observed if two interactions correlate with each other. On the whole, in the process of crystal formation, the apparent cooperativity is the check and balance of the two effects, which is capable to support a global interaction among all of molecules and contribute to the stabilization of system. Based on the results, one may get a new insight to understand the relationship between non-covalent interactions and low impact sensitivity.

Spatial patterns of Picea crassifolia driven by environmental heterogeneity and intraspecifi c interactions

Research on the spatial patterns of tree populations is critical for understanding the structure and dynamic processes of forests.However,little is known about how the underlying drivers shape these patterns and species interactions in forest systems.In this study,spatial point pattern analysis investigated the combined eff ects of intraspecifi c interactions and environmental heterogeneity on the spatial structure and internal maintenance mechanisms of Picea crassifolia in the Qilian Mountain National Nature Reserve,China.Data were obtained from a 10.2-ha dynamic monitoring plot(DMP)and sixteen 0.04-ha elevation gradient plots(EGPs).Under complete spatial randomness,both mature trees and saplings in the DMP demonstratedlarge-scale aggregation with negative correlations.In EGPs,saplings were clustered in small mesoscales,mature trees were randomly distributed,and the interactions of saplingstrees at all elevations were not correlated.By eliminating the interference of environmental heterogeneity through the inhomogeneous Poisson process,saplings in the DMP and EGPs were clustered in small scales and trees randomly distributed.Intraspecifi c associations were negatively correlated,in the DMP and at low elevations,and no correlations in high elevations of EGPs.In the vertical scale,saplings showed a small-scale aggregation pattern with increase in elevation,and the aggregation degree fi rst decreased and then increased.The interactions of saplings-trees and saplings–saplings showed inhibitions at small scales,with the degree of inhibition gradually decreasing.Spatial patterns and associations of adults–adults did not change signifi-cantly.The results revealed that intraspecifi c interactions and environmental heterogeneity regulated the spatial patterns of P.crassifolia at small and large scales,respectively.Environmental heterogeneity might be the most decisive factor aff ecting the spatial patterns of saplings,while trees were more aff ected by intraspecifi c interactions.Moreover,competition between trees in this area could be more common than facilitation for the growth and development of individuals.

China’s Recent Progresses in Polar Climate Change and Its Interactions with the Global Climate System

During the recent four decades since 1980,a series of modern climate satellites were launched,allowing for the measurement and record-keeping of multiple climate parameters,especially over the polar regions where traditional observations are difficult to obtain.China has been actively engaging in polar expeditions.Many observations were conducted during this period,accompanied by improved Earth climate models,leading to a series of insightful understandings concerning Arctic and Antarctic climate changes.Here,we review the recent progress China has made concerning Arctic and Antarctic climate change research over the past decade.The Arctic temperature increase is much higher than the global-mean warming rate,associated with a rapid decline in sea ice,a phenomenon called the Arctic Amplification.The Antarctic climate changes showed a zonally asymmetric pattern over the past four decades,with most of the fastest changes occurring over West Antarctica and the Antarctic Peninsula.The Arctic and Antarctic climate changes were driven by anthropogenic greenhouse gas emissions and ozone loss,while tropical-polar teleconnections play important roles in driving the regional climate changes and extreme events over the polar regions.Polar climate changes may also feedback to the entire Earth climate system.The adjustment of the circulation in both the troposphere and the stratosphere contributed to the interactions between the polar climate changes and lower latitudes.Climate change has also driven rapid Arctic and Southern ocean acidification.Chinese researchers have made a series of advances in understanding these processes,as reviewed in this paper.

Twin-solute, twin-dislocation and twin-twin interactions in magnesium

Magnesium alloys have received considerable research interest due to their lightweight,high specific strength and excellent castability.However,their plastic deformation is more complicated compared to cubic materials,primarily because their low-symmetry hexagonal closepacked(hcp) crystal structure.Deformation twinning is a crucial plastic deformation mechanism in magnesium,and twins can affect the evolution of microstructure by interacting with other lattice defects,thereby affecting the mechanical properties.This paper provides a review of the interactions between deformation twins and lattice defects,such as solute atoms,dislocations and twins,in magnesium and its alloys.This review starts with interactions between twin boundaries and substitutional solutes like yttrium,zinc,silver,as well as interstitial solutes like hydrogen and oxygen.This is followed by twin-dislocation interactions,which mainly involve those between {10■2} tension or {10■1} compression twins and , or type dislocations.The following section examines twin-twin interactions,which occur either among the six variants of the same {10■2} or {10■1} twin,or between different types of twins.The resulting structures,including twin-twin junctions or boundaries,tension-tension double twin,and compression-tension double twin,are discussed in detail.Lastly,this review highlights the remaining research issues concerning the interactions between twins and lattice defects in magnesium,and provides suggestions for future work in this area.

Interactions of naturally occurring compounds with antimicrobials

Antibiotics are among the most often used medications in human healthcare and agriculture.Overusing these substances can lead to complications such as increasing antibiotic resistance in bacteria or a toxic effect when administering large amounts.To solve these problems,new solutions in antibacterial therapy are needed.The use of natural products in medicine has been known for centuries.Some of them have antibacterial activity,hence the idea to combine their activity with commercial antibiotics to reduce the latter's use.This review presents collected information on natural compounds(terpenes,alkaloids,flavonoids,tannins,sulfoxides,and mycotoxins),of which various drug interactions have been observed.Many of the indicated compounds show synergistic or additive interactions with antibiotics,which suggests their potential for use in antibacterial therapy,reducing the toxicity of the antibiotics used and the risk of further development of bacterial resistance.Unfortunately,there are also compounds which interact antagonistically,potentially hindering the therapy of bacterial infection.Depending on its mechanism of action,each compound can behave differently in combination with different antibiotics and when acting against various bacterial strains.

Effect of light and nutrients on interspecific interactions between submerged macrophytes:implications for restoration of multispecies aquatic vegetation in eutrophic lakes

Constructing multispecies submerged vegetation systems and maintaining stable seasonal succession is crucial for restoring shallow eutrophic lakes.However,little is known about the interactions between successional and existing species of different growth forms,particularly under the low light and high nutrient conditions of eutrophic lakes.We measured the functional traits of mature Vallisneria natans(Lour.)Hara plants and Potamogeton crispus L.shoots in monoculture and mosaic patterns under different light and nutrient conditions.The effect of light on functional traits of the submerged macrophyte species was more significant than that of nutrients,but the reverse was true for P.crispus biomass allocation.Moreover,interspecific interactions affected only the submerged macrophytes under the low light condition and varied with species.Specifically,the interaction of P.crispus to V.natans was biased towards competition,while the interaction of V.natans to P.crispus was converted from facilitation to competition by eutrophication,particularly in the homogenous mosaic growth pattern.This study demonstrates that sufficient light is a prerequisite and patch planting is an effective means to form a multispecies submerged vegetation system.In addition,we emphasize that the coexistence of eutrophication and low light will likely result in a competition between submerged macrophytes thus simplifying the vegetation,even if their growth forms and growing seasons are different.These findings help explain the collapse of multispecies submerged vegetation and guide the restoration of aquatic plants in eutrophic lakes.