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.

Analytical methods for nano-bio interface interactions

Knowledge on the interactions between engineered nanomaterials(ENMs) and biological systems is critical both for the assessment of biological effects of ENMs and for the rational design of ENM-based products. However, probing the events that occur at the nano-bio interface remains extremely challenging due to their complex and dynamic nature. So far, the understanding of mechanisms underlying nano-bio interactions has been mainly limited by the lack of proper analytical techniques with sufficient sensitivity, selectivity and resolution for characterization of nano-bio interface events. Moreover, many classic bioanalytical methods are not suitable for direct measurement of nano-bio interface interactions. These have made establishing analytical methodologies for systematic and comprehensive study of nano-bio interface one of the most focused areas in nanobiology. In this review we have discussed some representative developments regarding analytical techniques for nano-bio interface characterization, including the improvements of traditional methods and the emergence of powerful new technologies. These developments have allowed ultrasensitive, real-time analysis of interactions between ENMs and biomolecules, transformations of ENMs in biological environment, and impacts of ENMs on living systems on molecular or cellular level.

Interface engineering in two-dimensional heterostructures towards novel emitters

Two-dimensional(2D) semiconductors have captured broad interest as light emitters, due to their unique excitonic effects. These layer-blocks can be integrated through van der Waals assembly, i.e., fabricating homo-or heterojunctions, which show novel emission properties caused by interface engineering. In this review, we will first give an overview of the basic strategies that have been employed in interface engineering, including changing components, adjusting interlayer gap, and tuning twist angle. By modifying the interfacial factors, novel emission properties of emerging excitons are unveiled and discussed. Generally, well-tailored interfacial energy transfer and charge transfer within a 2D heterostructure cause static modulation of the brightness of intralayer excitons. As a special case, dynamically correlated dual-color emission in weakly-coupled bilayers will be introduced, which originates from intermittent interlayer charge transfer. For homobilayers and type Ⅱ heterobilayers, interlayer excitons with electrons and holes residing in neighboring layers are another important topic in this review. Moreover, the overlap of two crystal lattices forms moiré patterns with a relatively large period, taking effect on intralayer and interlayer excitons. Particularly, theoretical and experimental progresses on spatially modulated moiré excitons with ultra-sharp linewidth and quantum emission properties will be highlighted. Moiré quantum emitter provides uniform and integratable arrays of single photon emitters that are previously inaccessible, which is essential in quantum many-body simulation and quantum information processing. Benefiting from the optically addressable spin and valley indices, 2D heterostructures have become an indispensable platform for investigating exciton physics, designing and integrating novel concept emitters.

Quantitatively probing interactions between membrane with adaptable wettability and oil phase in oil/water separation

The membrane method based on adaptive wettability shows great advantages in oil-water separation.At present,researches focus on the excellent application performance of the membrane material,while the quantitative analysis of interactions in oil-water separation is rarely recognized.Herein,we constructed an adaptable wettability membrane with multiple polymer networks by polydopamine(PDA)and mussel-inspired amphiphilic polymer.Based on the Owens three-probe liquid method,the surface energy of the modified membrane was verified to meet the adaptive wettability conditions,with surface energies(γ-8)of 147.6 mJ m^(−2)(superhydrophilic/underwater superoleophobic)and 49.87 mJ m^(−2)(superhydrophobic/superoleophobic),respectively.The adhesion or repulsion of the membrane to the oil phase under different conditions during the separation process was quantified by the chemical probe AFM technique.In addition,the oil-water selective separation mechanism was further analyzed in a simplified membrane microchannel model.The results show that the different wetting produces capillary additional pressure in opposite directions,resulting in different energies to be overcome when the oil or water passes through the microchannels,thus achieving selective separation.

Parameter selection of pocket extraction algorithm using interaction interface

Pockets in proteins have been known to be very important for the life process. There have been several studies in the past to automatically extract the pockets from the structure information of known proteins. However, it is difficult to find a study comparing the precision of the extracted pockets from known pockets on the protein. In this paper, we propose an algorithm for extracting pockets from structure data of proteins and analyze the quality of the algorithm by comparing the extracted pockets with some known pockets. These results in this paper can be used to set the parameter values of the pocket extraction algorithm for getting better results.

The Creative Design Research of Product Appearance Based on Human-machine Interaction and Interface

Today’s product creative design has rendered many fe atures and has brought a great change in our everyday life, there are many new c hallenges in its traditional theory and principle. According to the traditional design theory, the FBS design model pays more attention to the function and stru cture of the product. But this model still couldn’t strengthen the relation bet ween product appearance design and human-machine design effectively. This paper adopt converse design thinking and presents an improved design thinking methodo logy based on C: FBS for product appearance design and give a general summarizat ion for the features, methods and technology based on human-machine interaction and interface. Meanwhile it also combines with the behavior design of product r elated IT fields and constructs a new outline to improve the design of product a ppearance supported by the technology of computer aided design. So the new metho d about design thinking for computer aided design, the new abstract product design model and the key problem of design thinking based on human-machine inte raction and interface are addressed in this paper. This kind of creative design theory that is driven by human-machine interaction and interface will help the development of CAD software system and the research of product design and manufa cture. Additionally, this paper gives some beneficial characters to address the theory based on human-machine interaction and interface. Meanwhile, combining with the developing of computer technology, the trends of design thinking based on t he technology of human-machine interaction and interface are also analyzed and discussed at the end of this paper.

Web GIS Human-Machine Interactive Interface Design with VISI

The fusion of VlSI （visual identity system Internet）, digital maps and Web GIS is presented. Web GIS interface interactive design with VISI needs to consider more new factors. VISI can provide the design principle, elements and contents for the Web GIS. The design of the Wuhan Bus Search System is fulfilled to confirm the validity and practicability of the fusion.

Interaction energy of interface dislocation loops in piezoelectric bi-crystals

Interface dislocations may dramatically change the electric properties, such as polarization, of the piezoelectric crystals. In this paper, we study the linear interactions of two interface dislocation loops with arbitrary shape in generally anisotropic piezoelectric bi-crystals. A simple formula for calculating the interaction energy of the interface dislocation loops is derived and given by a double line integral along two closed dislocation curves. Particularly, interactions between two straight segments of the interface dislocations are solved analytically, which can be applied to approximate any curved loop so that an analytical solution can be also achieved. Numerical results show the influence of the bi-crystal interface as well as the material orientation on the interaction of interface dislocation loops.

Evaluation Indices of Interaction Ability of Asphalt and Aggregate Based on Rheological Characteristics

In order to find a parameter as the evaluation index that can capture the effect of the interaction between asphalt and aggregate, the rheological properties of asphalt mastics using two kinds of asphalts and four kinds of aggregates under different filler-asphalt ratios were measured by a dynamic shear rheometer （DSR）. Moreover, four rheological parameters of K.Ziegel-B, Luis Ibrarra-A, complex shear modulus ΔG＊and complex viscosity Δη＊ for evaluating the interaction ability were studied. Results indicate that all the four parameters can characterize the interaction ability of asphalt and aggregate correctly and feasibly. Through the comparison of sensitivities and physical meanings of the four parameters, K.Ziegel-B with high sensitivity and exact physical meaning is finally selected as the evaluation index for interaction ability of asphalt and aggregate.

Corrosion related properties of iron(100) surface in liquid lead and bismuth environments:A first-principles study

The corrosion of steels in liquid metal lead （Pb） and bismuth （Bi） is a critical challenge in the development of accel-erator driven systems （ADS）. Using a first-principles method with a slab model, we theoretically investigate the interaction between the Pb （Bi） atom and the iron （Fe） （100） surface to assess the fundamental corrosion properties. Our investigation demonstrates that both Pb and Bi atoms favorably adsorb on the （100） surface. Such an adsorption decreases the energy required for the dissociation of an Fe atom from the surface, enhancing the dissolution tendency significantly. The seg- regation of six common alloying elements （Cr, A1, Mn, Ni, Nb, and Si） to the surface and their impacts on the corrosion properties are also considered. The present results reveal that Si seems to have a relatively good performance to stabilize the surface and alleviate the dissolving trend caused by Pb and Bi.

THE MECHANISM FOR NANOMETER-SIZED TiC SYNTHESIZING BY MECHANICAL & THERMAL ACTIVATION PROCESSING

A novel process for synthesizing nano-ceramics powders, named mechanical & therm al activation processing, is discussed in the present paper. It is a processing based on thermal activation in liquid phase (molten salt) after mechanical activ ation. The nanometer-sized TiC particles (15-20nm) have been synthesized by the method, and analyzed by X-ray diffraction (XRD), transmission electron microscop e (TEM), scanning electron microscopy (SEM) and energy dispersion X-ray (EDX) sp ectroscopy. An interface interaction between liquid (molten salt) and solid (fin al product particles) phases plays a dominating role for the control of product particles size. The mechanism for the formation of nanometer-sized TiC particles has been discussed.

Monodisperse Ni-clusters anchored on carbon nitride for efficient photocatalytic hydrogen evolution

The active sites of monodisperse transition metal Ni-clusters were anchored on carbon nitride(CN)by an in situ photoreduction deposition method to promote the efficient separation of photogenerated charges and achieve high-efficiency photocatalytic activity for hydrogen evolution.The Ni-cluster/CN exhibited a photocatalytic hydrogen production rate of 16.5 mmol·h^(-1)·g^(-1) and a total turnover frequency(TOF(H_(2)))value of 461.14 h^(-1).X-ray absorption spectroscopy based on synchrotron radiation indicated that CN had two reaction centers to form stable interface interactions with monodispersed Ni-clusters,in which carbon can act as an electron acceptor,while nitrogen can act as an electron donor.Meanwhile,the hybrid electronic structure of the Ni-cluster/CN system was constructed,which was favorable for photocatalytic activity for hydrogen production.An in-depth understanding of the interfacial interaction between CN and Ni-clusters will have important reference significance on the mechanistic study of development based on the cocatalyst.

GROUP VELOCITY CONTROL SCHEME WITH LOW DISSIPATION

In order to prevent smearing the discontinuity, a modified term is added to the third order Upwind Compact Difference scheme to lower the dissipation error. Moreover, the dispersion error is controled to hold back the non physical oscillation by means of the group velocity control. The scheme is used to simulate the interactions of shock density stratified interface and the disturbed interface developing to vortex rollers. Numerical results are satisfactory.

Integrating innovative library e-reserves service into teaching and learning at Shanghai Jiao Tong University

Purpose: Fully integrating its e-reserves service into the university's course management system has become the primary design goal of the innovative e-reserves service system at Shanghai Jiao Tong University(SJTU) Library.Design/methodology/approach: Through blending library and information service into the teaching and learning process, SJTU Library has effectively combined its reserves service into the user learning environment. The main metadata model and the design of various interfaces of the e-reserves service system are introduced.Findings: E-reserves has been integrated into the course management system. Users can directly access relevant resources when they browse the customized course page. It is more convenient for teachers to add reserves items, and the added items can be made available simultaneously on SJTU Library's resource discovery platform automatically.Research limitations: At present, e-reserves items are mainly books, and more other types of reserves materials are needed to be provided. Some relevant copyright issues should be addressed.Practical implications: Using a series of interface interactions, the e-reserves service has been integrated into the university's course management system. It is convenient for students to access customized e-reserves service during their learning process.Originality/value: We achieved interconnection between the e-reserves and the university's course management system. Information on the e-reserves Web page is automatically updated.SJTU Library provides customized e-reserves service in the course management system.

Interactive free-viewpoint video generation

Background Free-viewpoint video(FVV)is processed video content in which viewers can freely select the viewing position and angle.FVV delivers an improved visual experience and can also help synthesize special effects and virtual reality content.In this paper,a complete FVV system is proposed to interactively control the viewpoints of video relay programs through multimedia terminals such as computers and tablets.Methods The hardware of the FVV generation system is a set of synchronously controlled cameras,and the software generates videos in novel viewpoints from the captured video using view interpolation.The interactive interface is designed to visualize the generated video in novel viewpoints and enable the viewpoint to be changed interactively.Results Experiments show that our system can synthesize plausible videos in intermediate viewpoints with a view range of up to 180°.

Strong interface interaction and internal electric field promote electron transfer of Bi_(2)O_(2)S/NiFe_(2)O_(4) heterojunction for photocatalytic antibiotic degradation

Heterojunction photocatalysts have shown considerable activities for organic pollutants degradation.However,the faint connection interface and inferior charge shift efficiency critically block the property of heterojunction photocatalysis.Herein,Bi_(2)O_(2)S/NiFe_(2)O_(4) nanosheets heterojunction with ultrastrong inter-face interaction and high internal electric field are designed by an in-situ growth method.Tentative and theoretical consequences prove that the interfacial interaction and internal electric field not only act as the electron flow bridge but also decrease the electrons shift energy obstacle,thus speeding up electrons transfer and achieving effective spatial electron-hole separation.Therefore,a large amount of·O_(2)^(-)and holes as active species were generated.Remarkably,Bi_(2)O_(2) S/NiFe_(2)O_(4) establishes a considerably boosted photocatalytic performance for tetracycline degradation(0.032 min^(-1)),which is about 14.2-fold and 7.8-fold of the pristine BOS and NFO,respectively.This work provides a promising motivation for modulating charge transfer by interface control and internal electric field to boost photocatalytic performance.

Impact of interfacial tension on oil-water flow in a narrow gap

Numerous researchers have examined the co-current flow of oil-water and aqueous solutions containing polymers and surfactants in thin gaps for oil recovery.While some have focused on charges and forces at the interfaces of oil-surfactant solutions during flow.The study of flow structures,interface behavior,and relative permeabilities of oil and aqueous phases of surfactant flow through thin gaps has been less explored.For the first time,this research aims to comprehensively investigate the flow of oil-water and oil-surfactant solutions through a thin gap(Hele-Shaw cell)with a particular focus on the impact of sodium dodecyl sulfate(SDS).The experiments reveal that SDS forms an emulsion near the oil-water interface,capturing oil droplets and enabling their flow along with the SDS solution.Microscopic studies confirm this,showing that when SDS contacts oil,it creates channels through the oil phase,leading to the accumulation and division of oil into small round-shaped droplets,resulting in an oil-in-water emulsion.The addition of SDS to the injecting water significantly enhances relative permeabilities,leading to a remarkable 90%increase in oil recovery from the cell.The research suggests that the optimal SDS concentration range for maximum oil recovery is between 1.5 and 2 wt%,as it achieves the minimum interfacial tension between oil and water.

Application of CGI in Cooperative Design Environment

The paper analyzes the principles and applications of CGI for collaborative design. The utility model possessing broad reference values is set up and its implementation techniques are presented in detail.

Non-equilibrium kinetic separation of thulium,yttrium and erbium on the surface of freely rising oil droplets

It is difficult to achieve selective separation and enrichment of different rare earths from high abundance yttrium ores efficiently only dependent on their discrepancy in thermodynamic properties.The present work suggests a new strategy based on non-equilibrium kinetic separation of Er and Tm on the surface of freely rising oil droplets to control the separation order of Y.It is revealed that the mutual separation of Er/Tm is significantly promoted with the separation coefficient of 2.89 during the non-equilibrium extraction with the addition of diethylenetriaminepentaacetic acid(DTPA).The extraction sequence of Tm,Er and Y can be controlled as Tm>Y>Er,thus Y can be selectively enriched during the process of separation of Er and Tm,Such a sequence is subject to the controllable dissociation rates of RE(Ⅲ)-DTPA complexes and extraction abilities of P507 with the three RE(Ⅲ)ions.The dissociation rate is dependent on the stabilities of RE(Ⅲ)-DTPA complexes and follows the sequence ofY(Ⅲ)—DTPA Er>Y to Tm>Y>Er.

Reaction mechanism between Al_(2)O_(3)–MgO refractory materials and rare earth high-carbon heavy rail steel

Submerged entry nozzle(SEN)clogging is a major problem affecting the production quality of rare earth steel,and finding a suitable refractory outlet can significantly reduce production costs.To explore the relationship between refractory composition and interface interaction,unprotected coated Al_(2)O_(3)–MgO refractories and SiO2-coated Al_(2)O_(3)–MgO refractories were added to rare earth high-carbon heavy rail steel under laboratory conditions,and the Al_(2)O_(3)–MgO refractory was found to be more suitable.The results show that,from the epoxy resin side to the refractory side,the contour of the refractory interface reaction layer can be divided into two main layers:an iron-rich reaction layer and an iron-poor reaction layer.Calculations based on the spherical model suggest that the adhesion force is proportional to the size of the refractory particles and inclusions,and the same result applies to the surface tension.Controlling the inclusions at a smaller size has a specific effect on alleviating the erosion of refractories.Combined with the erosion mechanism of Al_(2)O_(3)–MgO refractories,the interface reaction mechanism between Al_(2)O_(3)–MgO refractories and molten steel was proposed,which provides ideas for solving SEN clogging.