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The performance of the tire has a very important impact on the safe driving of the car, and in the actual use of the tire, due to complex road conditions or use conditions, it will inevitably cause immeasurable wear, scratches and other damage. In order to effectively detect the damage existing in the key parts of the tire, a tire surface damage detection method based on image processing was proposed. In this method, the image of tire side is captured by camera first. Then, the collected images are preprocessed by optimizing the multi-scale bilateral filtering algorithm to enhance the detailed information of the damaged area, and the optimization effect is obvious. Thirdly, the image segmentation based on clustering algorithm is carried out. Finally, the Harris corner detection method is used to capture the "salt and pepper" corner of the target region, and the segmsegmed binary image is screened and matched based on histogram correlation, and the target region is finally obtained. The experimental results show that the similarity detection is accurate, and the damage area can meet the requirements of accurate identification.
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Designed to meet the demands of AGV global optimal path planning and dynamic obstacle avoidance, this paper proposes a combination of an improved A* algorithm and dynamic window method fusion algorithm. Firstly, the heuristic function is dynamically weighted to reduce the search scope and improve the planning efficiency; secondly, a path-optimization method is introduced to eliminate redundant nodes and redundant turning points in the path; thirdly, combined with the improved A* algorithm and dynamic window method, the local dynamic obstacle avoidance in the global optimal path is realized. Finally, the effectiveness of the proposed method is verified by simulation experiments. According to the results of simulation analysis, the path-planning time of the improved A* algorithm is 26.3% shorter than the traditional A* algorithm, the search scope is 57.9% less, the path length is 7.2% shorter, the number of path nodes is 85.7% less, and the number of turning points is 71.4% less. The fusion algorithm can evade moving obstacles and unknown static obstacles in different map environments in real time along the global optimal path.
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Rational predictions on binding kinetics parameters of drugs to targets play significant roles in future drug designs. Full conformational samplings of targets are requisite for accurate predictions of binding kinetic parameters. In this review, we mainly focus on the applications of enhanced sampling technologies in calculations of binding kinetics parameters and residence time of drugs. The methods involved in molecular dynamics simulations are applied to not only probe conformational changes of targets but also reveal calculations of residence time that is significant for drug efficiency. For this review, special attention are paid to accelerated molecular dynamics (aMD) and Gaussian aMD (GaMD) simulations that have been adopted to predict the association or disassociation rate constant. We also expect that this review can provide useful information for future drug design.
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Simulação de Dinâmica Molecular , Cinética , Humanos , Ligação Proteica , Desenho de Fármacos , Preparações Farmacêuticas/química , Preparações Farmacêuticas/metabolismoRESUMO
The pseudokinase domain (JH2) of the protein tyrosine kinase (Janus kinase 2, JAK2) regulates the activity of a tyrosine kinase domain (JH1) in JAK2, which is further affected by mutations in the JH2. In this work, Gaussian accelerated molecular dynamics (GaMD) simulations followed by construction of free energy landscapes (FELs) and principal component analysis (PCA) were performed to study effect of two mutations V617F and V617F/E596A on the conformations of the ATP-bound JH2. The dynamic analyses reveal that mutations affect the structural flexibility and correlated motions of the JH2, meanwhile also change the dynamics behavior of the P-loop and αC-helix of the JH2. The information from FELs unveils that mutations induce less energy states than the free JH2 and the WT one. The analyses of interaction networks uncover that mutations affect the salt bridge interactions of ATP with K581, K677 and R715 and alter hydrogen bonding interactions (HBIs) of ATP with the JH2. The changes in conformations of the JH2 and ATP-JH2 interaction networks caused by mutations in turn generate effect on the activity regulations of the JH2 on the JH1. This work is expected to provide significant theoretical helps for deeply understanding the function of the JH2 and drug design toward JAK2.Communicated by Ramaswamy H. Sarma.
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This paper is concerned with the adaptive tracking control problem for nonlinear systems with virtual control coefficients including known and unknown items. The known items are employed for controller design directly, such that more information is utilized to achieve better performance. To deal with the unknown items, a novel real control law is firstly constructed by introducing an auxiliary system. The proposed controller is designed and applied to an uncertain TCP/AQM network system, which guarantees the practical boundedness of all the signals in the closed-loop system. Finally, the effectiveness and practicability of the developed control strategy are validated by simulation results.
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ß-amyloid cleaving enzyme 1 (BACE1) is regarded as an important target of drug design toward the treatment of Alzheimer's disease (AD). In this study, three separate molecular dynamics (MD) simulations and calculations of binding free energies were carried out to comparatively determine the identification mechanism of BACE1 for three inhibitors, 60W, 954 and 60X. The analyses of MD trajectories indicated that the presence of three inhibitors influences the structural stability, flexibility and internal dynamics of BACE1. Binding free energies calculated by using solvated interaction energy (SIE) and molecular mechanics generalized Born surface area (MM-GBSA) methods reveal that the hydrophobic interactions provide decisive forces for inhibitor-BACE1 binding. The calculations of residue-based free energy decomposition suggest that the sidechains of residues L91, D93, S96, V130, Q134, W137, F169 and I179 play key roles in inhibitor-BACE1 binding, which provides a direction for future drug design toward the treatment of AD.
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Doença de Alzheimer , Simulação de Dinâmica Molecular , Humanos , Peptídeos beta-Amiloides/metabolismo , Secretases da Proteína Precursora do Amiloide , Ácido Aspártico Endopeptidases , Entropia , Doença de Alzheimer/metabolismo , Simulação de Acoplamento MolecularRESUMO
The heat shock protein (HSP90) has been an import target of drug design in the treatment of human disease. An exploration of the conformational changes in HSP90 can provide useful information for the development of efficient inhibitors targeting HSP90. In this work, multiple independent all-atom molecular dynamics (AAMD) simulations followed by calculations of the molecular mechanics generalized Born surface area (MM-GBSA) were performed to explore the binding mechanism of three inhibitors (W8Y, W8V, and W8S) to HSP90. The dynamics analyses verified that the presence of inhibitors impacts the structural flexibility, correlated movements, and dynamics behavior of HSP90. The results of the MM-GBSA calculations suggest that the selection of GB models and empirical parameters has important influences on the predicted results and verify that van der Waals interactions are the main forces that determine inhibitor-HSP90 binding. The contributions of separate residues to the inhibitor-HSP90 binding process indicate that hydrogen-bonding interactions (HBIs) and hydrophobic interactions play important roles in HSP90-inhibitor identifications. Moreover, residues L34, N37, D40, A41, D79, I82, G83, M84, F124, and T171 are recognized as hot spots of inhibitor-HSP90 binding and provide significant target sites of for the design of drugs related to HSP90. This study aims to contribute to the development of efficient inhibitors that target HSP90 by providing an energy-based and theoretical foundation.
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Desenho de Fármacos , Simulação de Dinâmica Molecular , Humanos , Entropia , Ligação Proteica , Proteínas de Choque Térmico , Sítios de LigaçãoRESUMO
Traffic sign detection is an essential component of an intelligent transportation system, since it provides critical road traffic data for vehicle decision-making and control. To solve the challenges of small traffic signs, inconspicuous characteristics, and low detection accuracy, a traffic sign recognition method based on improved (You Only Look Once v3) YOLOv3 is proposed. The spatial pyramid pooling structure is fused into the YOLOv3 network structure to achieve the fusion of local features and global features, and the fourth feature prediction scale of 152 × 152 size is introduced to make full use of the shallow features in the network to predict small targets. Furthermore, the bounding box regression is more stable when the distance-IoU (DIoU) loss is used, which takes into account the distance between the target and anchor, the overlap rate, and the scale. The Tsinghua-Tencent 100K (TT100K) traffic sign dataset's 12 anchors are recalculated using the K-means clustering algorithm, while the dataset is balanced and expanded to address the problem of an uneven number of target classes in the TT100K dataset. The algorithm is compared to YOLOv3 and other commonly used target detection algorithms, and the results show that the improved YOLOv3 algorithm achieves a mean average precision (mAP) of 77.3%, which is 8.4% higher than YOLOv3, especially in small target detection, where the mAP is improved by 10.5%, greatly improving the accuracy of the detection network while keeping the real-time performance as high as possible. The detection network's accuracy is substantially enhanced while keeping the network's real-time performance as high as possible.
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Algoritmos , Reconhecimento Psicológico , Análise por Conglomerados , Meios de Transporte , InteligênciaRESUMO
Ultrasonic vibration can reduce the forming force, decrease the friction in the metal forming process and improve the surface quality of the workpiece effectively. The effects of ultrasonic vibration on riveting quality were systematically studied by numerical simulation and experimental methods. The riveting force, interference, riveting head and microstructure of rivet under different vibration conditions were analyzed, in order to study the influence of the ultrasonic vibration on the riveting process. The study results show that the ultrasonic vibration can reduce the riveting force and decrease the friction. Thus, the flow of rivet material was promoted and the interference and interferometric uniformity were enlarged. Riveting quality was improved, and the improvement effect increased with the increase of amplitude. Compared with the conventional riveting, the relative interference was increased by 27.32% and the shear strength was increased by 17.16%, when the amplitude is 5.77 µm.
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Ondas Ultrassônicas , Vibração , FricçãoRESUMO
Echolocating greater horseshoe bats (Rhinolophus ferrumequinum) emit their biosonar pulses nasally, through nostrils surrounded by fleshy appendages ('noseleaves') that diffract the outgoing ultrasonic waves. Movements of one noseleaf part, the lancet, were measured in live bats using two synchronized high speed video cameras with 3D stereo reconstruction, and synchronized with pulse emissions recorded by an ultrasonic microphone. During individual broadcasts, the lancet briefly flicks forward (flexion) and is then restored to its original position. This forward motion lasts tens of milliseconds and increases the curvature of the affected noseleaf surfaces. Approximately 90% of the maximum displacements occurred within the duration of individual pulses, with 70% occurring towards the end. Similar lancet motions were not observed between individual pulses in a sequence of broadcasts. Velocities of the lancet motion were too small to induce Doppler shifts of a biologically-meaningful magnitude, but the maximum displacements were significant in comparison with the overall size of the lancet and the ultrasonic wavelengths. Three finite element models were made from micro-CT scans of the noseleaf post mortem to investigate the acoustic effects of lancet displacement. The broadcast beam shapes were found to be altered substantially by the observed small lancet movements. These findings demonstrate that-in addition to the previously described motions of the anterior leaf and the pinna-horseshoe bat biosonar has a third degree of freedom for fast changes that can happen on the time scale of the emitted pulses or the returning echoes and could provide a dynamic mechanism for the encoding of sensory information.
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Quirópteros/anatomia & histologia , Ecolocação , Movimento , Animais , Quirópteros/fisiologia , Feminino , Análise de Elementos Finitos , Cabeça/fisiologia , MasculinoRESUMO
A large number of mammals, including humans, have intricate outer ear shapes that diffract incoming sound in a direction- and frequency-specific manner. Through this physical process, the outer ear shapes encode sound-source information into the sensory signals from each ear. Our results show that horseshoe bats could dynamically control these diffraction processes through fast nonrigid ear deformations. The bats' ear shapes can alter between extreme configurations in about 100 ms and thereby change their acoustic properties in ways that would suit different acoustic sensing tasks.