Deep Insight of Design,Mechanism,and Cancer Theranostic Strategy of Nanozymes

Since the discovery of enzyme-like activity of Fe3O4 nanoparticles in 2007,nanozymes are becoming the promising substitutes for natural enzymes due to their advantages of high catalytic activity,low cost,mild reaction conditions,good stability,and suitable for large-scale production.Recently,with the cross fusion of nanomedicine and nanocatalysis,nanozyme-based theranostic strategies attract great attention,since the enzymatic reactions can be triggered in the tumor microenvironment to achieve good curative effect with substrate specificity and low side effects.Thus,various nanozymes have been developed and used for tumor therapy.In this review,more than 270 research articles are discussed systematically to present progress in the past five years.First,the discovery and development of nanozymes are summarized.Second,classification and catalytic mechanism of nanozymes are discussed.Third,activity prediction and rational design of nanozymes are focused by highlighting the methods of density functional theory,machine learning,biomimetic and chemical design.Then,synergistic theranostic strategy of nanozymes are introduced.Finally,current challenges and future prospects of nanozymes used for tumor theranostic are outlined,including selectivity,biosafety,repeatability and stability,in-depth catalytic mechanism,predicting and evaluating activities.

Molecular Mechanism and Molecular Design of Lubricating Oil Antioxidants

To overcome the limitations of traditional experimental“trial and error”methods in lubricant additive design,a new molecular design method based on molecular structure parameters is established here.The molecular mechanism of the antioxidant reaction of hindered phenol,diphenylamine,and alkyl sulfide are studied via molecular simulations.Calculation results show that the strong electron-donating ability and high hydrogen-donating activity of the antioxidant molecule and the low hydrogen-abstracting activity of free radicals formed after dehydrogenation are the internal molecular causes of the shielding of phenol and diphenylamine from scavenging peroxy free radicals,and the strong electron-donating ability is the internal molecular cause of the high activity of thioether in decomposing alkyl hydrogen peroxide.Based on this antioxidant molecular mechanism,a molecular design rule of antioxidant is proposed,namely“high EHOMO,large Q(S),low bond dissociation energy BDE(O—H)and BDE(N—H)”.Two new antioxidants,PAS-I and PAS-II,are designed and prepared by chemical bonding of hindered phenol,diphenylamine,and sulfur atoms.Experimental results show that these antioxidants both have excellent antioxidant effects in lubricating oil,and that PAS-II is the superior antioxidant,consistent with theoretical predictions.

Recent advances in cobalt phosphide-based materials for electrocatalytic water splitting:From catalytic mechanism and synthesis method to optimization design

Electrochemical water splitting has long been considered an effective energy conversion technology for trans-ferring intermittent renewable electricity into hydrogen fuel,and the exploration of cost-effective and high-performance electrocatalysts is crucial in making electrolyzed water technology commercially viable.Cobalt phosphide(Co-P)has emerged as a catalyst of high potential owing to its high catalytic activity and durability in water splitting.This paper systematically reviews the latest advances in the development of Co-P-based materials for use in water splitting.The essential effects of P in enhancing the catalytic performance of the hydrogen evolution reaction and oxygen evolution reaction are first outlined.Then,versatile synthesis techniques for Co-P electrocatalysts are summarized,followed by advanced strategies to enhance the electrocatalytic performance of Co-P materials,including heteroatom doping,composite construction,integration with well-conductive sub-strates,and structure control from the viewpoint of experiment.Along with these optimization strategies,the understanding of the inherent mechanism of enhanced catalytic performance is also discussed.Finally,some existing challenges in the development of highly active and stable Co-P-based materials are clarified,and pro-spective directions for prompting the wide commercialization of water electrolysis technology are proposed.

Design,preparation,application of advanced array structured materials and their action mechanism analyses for high performance lithium-sulfur batteries

Lithium-sulfur battery(LSB)has brought much attention and concern because of high theoretical specific capacity and energy density as one of main competitors for next-generation energy storage systems.The widely commercial application and development of LSB is mainly hindered by serious“shuttle effect”of lithium polysulfides(Li PSs),slow reaction kinetics,notorious lithium dendrites,etc.In various structures of LSB materials,array structured materials,possessing the composition of ordered micro units with the same or similar characteristics of each unit,present excellent application potential for various secondary cells due to some merits such as immobilization of active substances,high specific surface area,appropriate pore sizes,easy modification of functional material surface,accommodated huge volume change,enough facilitated transportation for electrons/lithium ions,and special functional groups strongly adsorbing Li PSs.Thus many novel array structured materials are applied to battery for tackling thorny problems mentioned above.In this review,recent progresses and developments on array structured materials applied in LSBs including preparation ways,collaborative structural designs based on array structures,and action mechanism analyses in improving electrochemical performance and safety are summarized.Meanwhile,we also have detailed discussion for array structured materials in LSBs and constructed the structure-function relationships between array structured materials and battery performances.Lastly,some directions and prospects about preparation ways,functional modifications,and practical applications of array structured materials in LSBs are generalized.We hope the review can attract more researchers'attention and bring more studying on array structured materials for other secondary batteries including LSB.

Densification Mechanism of Warm Compaction and Powder Mixture Designing Rules

By phenomenological analysis of warm compaction, it is found that, compared with the contribution of particle plastical deformation to densification of powder compact,the particle rearrangement is a dominant densification mechanism for powder warm compaction, and the plastical deformation of particles plays an important role in offering accommodating deformation for particle rearrangement and densifying powder compact at the final stage of pressing.In order to attain density gain as high as possible during warm compaction, six rules for designing warm compacting powder mixtures were proposed in detail.

Optimal Design of Stewart Platform Safety Mechanism

A safety mechanism capable of moving at will within the range of its whole link lengths is designed based on the link space. Sixteen extreme poses are obtained in a Stewart platform. The singular points of the extreme poses are solved by using homotopy method as well as the judgment condition of singular points, and thereby the maximum link lengths are achieved. The rotation angles of joints and the distances between two neighboring links are analyzed in a calculation example in which that the mechanism moves among the extreme poses is assumed. Then an algorithm to test the safety mechanism is presented taking the constraint conditions into account. A safety mechanism having optimal properties of global movement is worked out by optimizing all structural parameters through minimizing the average condition number of extreme poses.

PERFORMANCE ANALYSIS AND KINEMATIC DESIGN OF PURE TRANSLATIONAL PARALLEL MECHANISM WITH VERTICAL GUIDE-WAYS

Performance analysis and kinematic design of the 3-PUU pure translational parallel mechanism with vertical guide-ways are investigated. Two novel performance indices, the critical slider stroke and the main section area of workspace, are defined; The expressions of two other indices, i.e. the global dexterity and global force transfer ratio are revised based on the main section of workspace. Using these indices, performance changes versus the varieties of dimensional parameters of mechanism are investigated in detail and the graphic descriptions of change tendencies of the performance indices are illustrated. By means of these obtained graphic descriptions, kinematic parameters for the 3-PUU pure translational parallel mechanism with better characteristics can be directly acquired.

Design and Experimental Research on Seedling Pick-Up Mechanism of Planetary Gear Train with Combined Non-circular Gear Transmission

Currently, transplanting mechanisms for dryland plug seedlings in China are mainly semiautomatic and have low efficiency. The rotary seedling pick-up mechanism with a planetary gear train for non-uniform intermittent transmission, and a concave and convex locking arc device, has a large rigid impact. To solve these problems, according to the design requirements for a dryland plug seedling transplanting mechanism, a rotary seedling pick-up mechanism of a planetary gear train with combined non-circular gear transmission of incomplete eccentric circular and noncircular gears was proposed. This has the characteristics of two-times greater fluctuation of the transmission ratio in a cycle, and can achieve a non-uniform continuous drive. Through analysis of the working principle of the seedling pick-up mechanism, its kinematics model was established. The human–computer interaction optimization method and self-developed computer-aided analysis and optimization software were used to obtain a set of parameters that satisfy the operation requirements of the seedling pick-up mechanism. According to the optimized parameters, the structure of the seedling pick-up mechanism was designed, a virtual prototype of the mechanism was created, and a physical prototype was manufactured. A virtual motion simulation of the mechanism was performed, high-speed photographic kinematics tests were conducted, and the kinematic properties of the physical prototype were investigated, whereby the correctness of the theoretical model and the optimized design of the mechanism were verified. Further, laboratory seedling pick-up tests were conducted. The success ratio of seedling pick-up was 93.8% when the seedling pick-up efficiency of the mechanism was 60 plants per minute per row, indicating that the mechanism has a high efficiency and success ratio for seedling pick-up and can be applied to a dryland plug seedling transplanter.

A Task-oriented Modular and Agent-based Collaborative Design Mechanism for Distributed Product Development

The rapid expansion of enterprises makes product collaborative design （PCD） a critical issue under the distributed heterogeneous environment, but as the collaborative task of large-scale network becomes more complicated, neither unified task decomposition and allocation methodology nor Agent-based network management platform can satisfy the increasing demands. In this paper, to meet requirements of PCD for distributed product development, a collaborative design mechanism based on the thought of modularity and the Agent technology is presented. First, the top-down 4-tier process model based on task-oriented modular and Agent is constructed for PCD after analyzing the mapping relationships between requirements and functions in the collaborative design. Second, on basis of sub-task decomposition for PCD based on a mixed method, the mathematic model of task-oriented modular based on multi-objective optimization is established to maximize the module cohesion degree and minimize the module coupling degree, while considering the module executable degree as a restriction. The mathematic model is optimized and simulated by the modified PSO, and the decomposed modules are obtained. Finally, the Agent structure model for collaborative design is put forward, and the optimism matching Agents are selected by using similarity algorithm to implement different task-modules by the integrated reasoning and decision-making mechanism with the behavioral model of collaborative design Agents. With the results of experimental studies for automobile collaborative design, the feasibility and efficiency of this methodology of task-oriented modular and Agent-based collaborative design in the distributed heterogeneous environment are verified. On this basis, an integrative automobile collaborative R＆D platform is developed. This research provides an effective platform for automobile manufacturing enterprises to achieve PCD, and helps to promote product numeralization collaborative R＆D and management development.

MECHANISM DESIGN AND MOTION ANALYSIS OF A SPHERICAL MOBILE ROBOT

A new spherical mobile robot BHQ-1 is designed. The spherical robot is driven by two internally mounted motors that induce the ball to move straight and turn around on a fiat surface. A dynamic model of the robot is developed with Lagrange method and factors affecting the driving torque of two motors are analyzed. The relationship between the turning radius of the robot and the length of two links is discussed in order to optimize its mechanism design. Simulation and experimental results demonstrate the good controllability and motion performance of BHQ-1.

LEVEL SET METHOD FOR TOPOLOGICAL OPTIMIZATION APPLYING TO STRUCTURE, MECHANISM AND MATERIAL DESIGNS

Based on a level set model, a topology optimization method has been suggestedrecently. It uses a level set to express the moving structural boundary, which can flexibly handlecomplex topological changes. By combining vector level set models with gradient projectiontechnology, the level set method for topological optimization is extended to a topologicaloptimization problem with multi-constraints, multi-materials and multi-load cases. Meanwhile, anappropriate nonlinear speed, mapping is established in the tangential space of the activeconstraints for a fast convergence. Then the method is applied to structure designs, mechanism andmaterial designs by a number of benchmark examples. Finally, in order to further improvecomputational efficiency and overcome the difficulty that the level set method cannot generate newmaterial interfaces during the optimization process, the topological derivative analysis isincorporated into the level set method for topological optimization, and a topological derivativeand level set algorithm for topological optimization is proposed.

Practical Structural Design Approach of Multiconfiguration Planar Single‑Loop Metamorphic Mechanism with a Single Actuator

As a type of multiconfiguration mechanism that can operate in an under-actuated state,metamorphic mechanisms were proposed more than two decades ago and attracted significant interest.Studies on structural synthesis of metamorphic mechanisms tend to focus more on metamorphic techniques and the structural synthesis of source mechanisms for metamorphic mechanisms.By designing different constraint architectures of metamorphic joints,multistructures can be obtained from the same source metamorphic mechanism.To determine the constraint architectures of metamorphic joints and their different assembly combinations,a kinematic status matrix and a corresponding constraint status matrix are constructed based on the metamorphic cyclogram of a source mechanism.According to the equivalent resistance gradient model and the constraint status matrix,an equivalent resistance matrix for the metamorphic joints is proposed.A structural synthesis matrix of the metamorphic mechanism is then obtained from the equivalent resistance matrix by deducing the constraint form vectors of the metamorphic joints.Furthermore,a kinematic diagram synthesis of the source metamorphic mechanism of a planar single-loop metamorphic mechanism is proposed,which is based on only the 14 one-or zero-degrees-of-freedom linkage groups.The entire structural design method of a metamorphic mechanism is based on the structural synthesis matrix and is presented as a systematic process.Finally,the proposed structural design approach is illustrated by two examples to verify its feasibility and practicality.This study provides an effective method for designing a practical multi-mobility and multiconfiguration planar single-loop metamorphic mechanism with a single actuator.

Design Considerations for an Underactuated Robotic Finger Mechanism

A design approach is presented in this paper for underactuation in robotic finger mechanisms. The characters of underactuated finger mechanisms are introduced as based on linkage and spring systems. The feature of self-adaptive enveloping grasp by underactuated finger mechanisms is discussed with feasible in grasping unknown objects. The design problem of robotic fingers is analyzed by looking at many aspects for an optimal functionality. Design problems and requirements for underactuated mechanisms are formulated as related to human-like robotic fingers. In particular, characteristics of finger mechanisms are analyzed and optimality criteria are summarized with the aim to formulate a general design algorithm. A general multi-objective optimization design approach is applied as based on a suitable optimization problem by using suitable expressions of optimality criteria. An example is illustrated as an improvement of finger mechanism in Laboratory of Robotics and Mechatronics （LARM） Hand. Results of design outputs and grasp simulations are reported with the aim to show the practical feasibility of the proposed concepts and computations.

Single-atom electrocatalysts for lithium-sulfur chemistry:Design principle,mechanism,and outlook

Lithium-sulfur batteries(LSBs)have been regarded as one of the promising candidates for the next-generation“lithium-ion battery beyond”owing to their high energy density and due to the low cost of sulfur.However,the main obstacles encountered in the commercial implementation of LSBs are the notorious shuttle effect,retarded sulfur redox kinetics,and uncontrolled dendrite growth.Accordingly,single-atom catalysts(SACs),which have ultrahigh catalytic efficiency,tunable coordination configuration,and light weight,have shown huge potential in the field of LSBs to date.This review summarizes the recent research progress of SACs applied as multifunctional components in LSBs.The design principles and typical synthetic strategies of SACs toward effective Li–S chemistry as well as the working mechanism promoting sulfur conversion reactions,inhibiting the lithium polysulfide shuttle effect,and regulating Li+nucleation are comprehensively illustrated.Potential future directions in terms of research on SACs for the realization of commercially viable LSBs are also outlined.

Study on trifluoromethanesulfonic acid-promoted synthesis of daidzein: Process optimization and reaction mechanism

Daidzein has been widely used in pharmaceuticals,nutraceuticals,cosmetics,feed additives,etc.Its preparation process and related reaction mechanism need to be further investigated.A cost-effective process for synthesizing daidzein was developed in this work.In this article,a two-step synthesis of daidzein(Friedel–Crafts acylation and[5+1]cyclization)was developed via the employment of trifluoromethanesulfonic acid(TfOH)as an effective promoting reagent.The effect of reaction conditions such as solvent,the amount of TfOH,reaction temperature,and reactant ratio on the conversion rate and the yield of the reaction,respectively,was systematically investigated,and daidzein was obtained in 74.0%isolated yield under optimal conditions.Due to the facilitating effect of TfOH,the Friedel–Crafts acylation was completed within 10 min at 90℃ and the[5+1]cyclization was completed within 180 min at 25℃.In addition,a possible reaction mechanism for this process was proposed.The results of the study may provide useful guidance for industrial production of daidzein on a large scale.

Analysis and Design of the Globoidal Indexing Cam Mechanism

We first design and analyze the contour surface of the globoidal indexing cam with the aid of computer, and then do optimum design according to the requirements of dynamics. Finally, we discuss the problem of the pressure angle of the globoidal indexing cam mechanism in detail and put forward a new concept of equivalent pressure angle.

An Optimization Design of a Weft Insertion Mechanism for Rapier Looms

By analyzing a combined and spatial 6-bar linkage weft insertion mechanism, its practical model for optimization design is set up and the modification of penalty strategy is put forward so that the genetic algorithm can be better used in optimization design for mechanisms with non- linear constraints. The design result is discussed.

To improve robustness of mechanical properties of semi-solid cast A356 alloy using taguchi design method

Mechanical properties of semi-solid casting are dependent on multiple processing parameters,and improper processing parameters will not only reduce mean data but also increase variations.The present study investigated the impact of parameters in slurry preparation and heat treatment on the yield strength and ductility of T6 heat-treated A356 Al-Si alloy using rapid slurry forming(RSF)semi-solid casting.The focus was primarily on the robustness of mechanical properties based on Taguchi design method.By analyzing signal-to-noise ratio and minimum value calculated from-3S,the optimum slurry preparation parameters and heat treatment parameters were determined to be no quench,enthalpy exchange material(EEM)temperature of 140℃,EEM-to-melt ratio of 6mass%,stirring time of 18 s,solution heat treated at 520℃ for 2 h,and ageing heat treated at 190℃ for 6 h.In a small batch validation,the-3S yield strength and-3S elongation reach 256.1 MPa and 5.03% respectively,showing a satisfactory robustness.The hardness and microstructure of heat-treated samples with the best and worst properties were characterized to gain insight into the underlying mechanisms affecting the mean value and variations of mechanical properties.

Innovative design and motion mechanism analysis for a multi-moving state autonomous underwater vehicles

In order to achieve the functional requirements of multi-moving state, a new autonomous underwater vehicle(AUV) provided with the functions such as the submarine vectorial thrust, landing on the sea bottom, wheel driving on the ground and crawling on the ground was designed. Then five new theories and methods were proposed about the motion mechanism of the AUV such as vectorial thruster technology, design of a new wheel propeller, kinematics and dynamics, navigation control and the ambient flow field in complex sea conditions, which can all conquer conventional technique shortages and predict the multi-moving state performance under wave disturbance. The theoretical research can realize the results such as a vectorial transmission shaft with the characteristics of spatial deflexion and continual circumgyratetion, parameterized design of the new wheel propeller with preferable open-water performance and intensity characteristics satisfying multi-moving state requirements, motion computation and kinetic analysis of AUV's arbitrary postures under wave disturbance, a second-order sliding mode controller with double-loop structure based on dynamic boundary layer that ensures AUV's trajectory high-precision tracking performance under wave disturbance, fast and exact prediction of the ambient flow field characteristics and the interaction mechanism between AUV hull and wheel propellers. The elaborate data obtained from the theoretical research can provide an important theoretical guidance and technical support for the manufacture of experimental prototype.

Noise reduction mechanism of high-speed railway box-girder bridges installed with MTMDs on top plate

The issue of low-frequency structural noise radiated from high-speed railway(HSR) box-girder bridges(BGBs) is a significant challenge worldwide. Although it is known that vibrations in BGBs caused by moving trains can be reduced by installing multiple tuned mass dampers(MTMDs) on the top plate, there is limited research on the noise reduction achieved by this method. This study aims to investigate the noise reduction mechanism of BGBs installed with MTMDs on the top plate. A sound radiation prediction model for the BGB installed with MTMDs is developed, based on the vehicle–track–bridge coupled dynamics and acoustics boundary element method. After being verified by field tested results, the prediction model is employed to study the reduction of vibration and noise of BGBs caused by the MTMDs. It is found that installing MTMDs on top plate can significantly affect the vibration distribution and sound radiation law of BGBs. However, its impact on the sound radiation caused by vibrations dominated by the global modes of BGBs is minimal. The noise reduction achieved by MTMDs is mainly through changing the acoustic radiation contributions of each plate of the bridge. In the lower frequency range, the noise reduction of BGB caused by MTMDs can be more effective if the installation of MTMDs can modify the vibration frequency and distribution of the BGB to avoid the influence of small vibrations and disperse the sound radiation from each plate.