Search results for: molecular dynamic

Authors: Zhao Jing, Bai Yongqing, Shi Qiaofang, Zang Yang, Zhang Huaihao

Abstract:

Advances in software technology enable the computational chemistry to be commonly applied in various research fields, especially in pedagogy. Thus, in order to expand and improve experimental instructions of computational chemistry for undergraduates, we designed an introductory experiment—research on acrylamide molecular structure and physicochemical properties. Initially, students construct molecular models of acrylamide and polyacrylamide in Gaussian and Materials Studio software respectively. Then, the infrared spectral data, atomic charge and molecular orbitals of acrylamide as well as solvation effect of polyacrylamide are calculated to predict their physicochemical performance. At last, rheological experiments are used to validate these predictions. Through the combination of molecular simulation (performed on Gaussian, Materials Studio) with experimental verification (rheology experiment), learners have deeply comprehended the chemical nature of acrylamide and polyacrylamide, achieving good learning outcomes.

Keywords: Upper-division undergraduate, computer-based learning, laboratory instruction, amides, molecular modeling, spectroscopy.

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Authors: Gholamreza Zahedi, M. Tarin, M. Biglari

Abstract:

This work investigated the steady state and dynamic simulation of a fixed bed industrial naphtha reforming reactors. The performance of the reactor was investigated using a heterogeneous model. For process simulation, the differential equations are solved using the 4th order Runge-Kutta method .The models were validated against measured process data of an existing naphtha reforming plant. The results of simulation in terms of components yields and temperature of the outlet were in good agreement with empirical data. The simple model displays a useful tool for dynamic simulation, optimization and control of naphtha reforming.

Keywords: Dynamic simulation, fixed bed reactor, modeling, reforming

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Authors: Zongyou He, Bashu Tsai, Chinhung Ko, Tainchi Lu

Abstract:

A procedural-animation-based approach which rapidly synthesize the adaptive locomotion for quadruped characters that they can walk or run in any directions on an uneven terrain within a dynamic environment was proposed. We devise practical motion models of the quadruped animals for adapting to a varied terrain in a real-time manner. While synthesizing locomotion, we choose the corresponding motion models by means of the footstep prediction of the current state in the dynamic environment, adjust the key-frames of the motion models relying on the terrain-s attributes, calculate the collision-free legs- trajectories, and interpolate the key-frames according to the legs- trajectories. Finally, we apply dynamic time warping to each part of motion for seamlessly concatenating all desired transition motions to complete the whole locomotion. We reduce the time cost of producing the locomotion and takes virtual characters to fit in with dynamic environments no matter when the environments are changed by users.

Keywords: Dynamic environment, motion synthesis, procedural animation, quadruped locomotion

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Authors: Kaan T. Oner, Ertugrul Cetinsoy, Mustafa Unel, Mahmut F. Aksit, Ilyas Kandemir, Kayhan Gulez

Abstract:

In this work a dynamic model of a new quadrotor aerial vehicle that is equipped with a tilt-wing mechanism is presented. The vehicle has the capabilities of vertical take-off/landing (VTOL) like a helicopter and flying horizontal like an airplane. Dynamic model of the vehicle is derived both for vertical and horizontal flight modes using Newton-Euler formulation. An LQR controller for the vertical flight mode has also been developed and its performance has been tested with several simulations.

Keywords: Control, Dynamic model, LQR, Quadrotor, Tilt-wing, VTOL.

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Authors: Ananth Kamath, Ankit Kant, Aravind Srivatsa, Harisha J.A

Abstract:

Compression algorithms reduce the redundancy in data representation to decrease the storage required for that data. Lossless compression researchers have developed highly sophisticated approaches, such as Huffman encoding, arithmetic encoding, the Lempel-Ziv (LZ) family, Dynamic Markov Compression (DMC), Prediction by Partial Matching (PPM), and Burrows-Wheeler Transform (BWT) based algorithms. Decompression is also required to retrieve the original data by lossless means. A compression scheme for text files coupled with the principle of dynamic decompression, which decompresses only the section of the compressed text file required by the user instead of decompressing the entire text file. Dynamic decompressed files offer better disk space utilization due to higher compression ratios compared to most of the currently available text file formats.

Keywords: Compression, Dynamic Decompression, Text file format, Portable Document Format, Compression Ratio.

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Authors: M. Khoshab, M. J. Sedigh

Abstract:

Dynamic systems, which in mathematical point of view are those governed by differential equations, are much more difficult to study and to predict their behavior in comparison with static systems which are governed by algebraic equations. Economical systems such as market are among complicated dynamic systems. This paper tries to adopt a very simple mathematical model for market and to study effect of supply and demand function on behavior of the market while the supply side experiences a lag due to production restrictions.

Keywords: Dynamic System, Lag on Supply Demand, Market Stability, Supply Demand Model.

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Authors: Khaled M.EL-Naggar

Abstract:

In power systems, protective relays must filter their inputs to remove undesirable quantities and retain signal quantities of interest. This job must be performed accurate and fast. A new method for filtering the undesirable components such as DC and harmonic components associated with the fundamental system signals. The method is s based on a dynamic filtering algorithm. The filtering algorithm has many advantages over some other classical methods. It can be used as dynamic on-line filter without the need of parameters readjusting as in the case of classic filters. The proposed filter is tested using different signals. Effects of number of samples and sampling window size are discussed. Results obtained are presented and discussed to show the algorithm capabilities.

Keywords: Protection, DC-offset, Dynamic Filter, Estimation.

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Authors: Toshihiko Sasama, Kentaro Kishida, Kazunori Sugahara, Hiroshi Masuyama

Abstract:

A mobile ad hoc network is a network of mobile nodes without any notion of centralized administration. In such a network, each mobile node behaves not only as a host which runs applications but also as a router to forward packets on behalf of others. Clustering has been applied to routing protocols to achieve efficient communications. A CH network expresses the connected relationship among cluster-heads. This paper discusses the methods for constructing a CH network, and produces the following results: (1) The required running costs of 3 traditional methods for constructing a CH network are not so different from each other in the static circumstance, or in the dynamic circumstance. Their running costs in the static circumstance do not differ from their costs in the dynamic circumstance. Meanwhile, although the routing costs required for the above 3 methods are not so different in the static circumstance, the costs are considerably different from each other in the dynamic circumstance. Their routing costs in the static circumstance are also very different from their costs in the dynamic circumstance, and the former is one tenths of the latter. The routing cost in the dynamic circumstance is mostly the cost for re-routing. (2) On the strength of the above results, we discuss new 2 methods regarding whether they are tolerable or not in the dynamic circumstance, that is, whether the times of re-routing are small or not. These new methods are revised methods that are based on the traditional methods. We recommended the method which produces the smallest routing cost in the dynamic circumstance, therefore producing the smallest total cost.

Keywords: cluster, mobile ad hoc network, re-routing cost, simulation

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Authors: J. Kasigwa, V. Baryamureeba, D. Williams

Abstract:

The goal of admission control is to support the Quality of Service demands of real-time applications via resource reservation in IP networks. In this paper we introduce a novel Dynamic Admission Control (DAC) mechanism for IP networks. The DAC dynamically allocates network resources using the previous network pattern for each path and uses the dynamic admission algorithm to improve bandwidth utilization using bandwidth brokers. We evaluate the performance of the proposed mechanism through trace-driven simulation experiments in view point of blocking probability, throughput and normalized utilization.

Keywords: Bandwidth broker, dynamic admission control(DAC), IP networks, quality of service, real-time flows.

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Authors: M. Fadlallah, G. Ghibaudo, C. G. Theodorou

Abstract:

The dynamic variation in memory devices such as the Static Random Access Memory can give errors in read or write operations. In this paper, the effect of low-frequency and random telegraph noise on the dynamic variation of one SRAM cell is detailed. The effect on circuit noise, speed, and length of time of processing is examined, using the Supply Read Retention Voltage and the Read Static Noise Margin. New test run methods are also developed. The obtained results simulation shows the importance of noise caused by dynamic variation, and the impact of Random Telegraph noise on SRAM variability is examined by evaluating the statistical distributions of Random Telegraph noise amplitude in the pull-up, pull-down. The threshold voltage mismatch between neighboring cell transistors due to intrinsic fluctuations typically contributes to larger reductions in static noise margin. Also the contribution of each of the SRAM transistor to total dynamic variation has been identified.

Keywords: Low-frequency noise, Random Telegraph Noise, Dynamic Variation, SRRV.

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Authors: A. R. Nezamabadi, M. Karami Khorramabadi

Abstract:

This paper studies dynamic stability of homogeneous beams with piezoelectric layers subjected to periodic axial compressive load that is simply supported at both ends lies on a continuous elastic foundation. The displacement field of beam is assumed based on Bernoulli-Euler beam theory. Applying the Hamilton's principle, the governing dynamic equation is established. The influences of applied voltage, foundation coefficient and piezoelectric thickness on the unstable regions are presented. To investigate the accuracy of the present analysis, a compression study is carried out with a known data.

Keywords: Dynamic stability, Homogeneous graded beam-Piezoelectric layer, Harmonic balance method.

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Authors: Xinli Zhang

Abstract:

In this paper, we consider the nonlinear delay dynamic system xΔ(t) = p(t)f1(y(t)), yΔ(t) = −q(t)f2(x(t − τ )). We obtain some necessary and sufficient conditions for the existence of nonoscillatory solutions with special asymptotic properties of the system. We generalize the known results in the literature. One example is given to illustrate the results.

Keywords: Dynamic system, oscillation, time scales, two-dimensional.

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Authors: A. Ito, S. Okamoto

Abstract:

We constructed an atomic structure model for a PAN-based carbon fiber containing amorphous structures using molecular dynamics methods. It was found that basic physical properties such as crystallinity, Young’s modulus, and thermal conductivity of our model were nearly identical to those of real carbon fibers. We then obtained the tensile strength of a carbon fiber, which has no macro defects. We finally determined that the limitation of the tensile strength was 19 GPa.

Keywords: Amorphous, carbon fiber, molecular dynamics, tensile strength.

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Authors: Guohua Cao, Xu Dong

Abstract:

X-ray Fluorescence Molecular Imaging (XFMI) holds great promise as a low-cost molecular imaging modality for biomedical applications with high chemical sensitivity. However, for in vivo biomedical applications, a key technical bottleneck is the relatively low chemical sensitivity of XFMI, especially at a reasonably low radiation dose. In laboratory x-ray source based XFMI, one of the main factors that limits the chemical sensitivity of XFMI is the scattered x-rays. We will present our latest findings on improving the chemical sensitivity of XFMI using excitation beam spectrum optimization. XFMI imaging experiments on two mouse-sized phantoms were conducted at three different excitation beam spectra. Our results show that the minimum detectable concentration (MDC) of iodine can be readily increased by five times via excitation spectrum optimization. Findings from this investigation could find use for in vivo pre-clinical small-animal XFMI in the future.

Keywords: Molecular imaging, X-ray fluorescence, chemical sensitivity, X-ray scattering.

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Authors: Keun Woo Lee, Minky Son, Chanin Park, Ayoung Baek

Abstract:

Certain tRNA synthetases have developed highly accurate molecular machinery to discriminate their cognate amino acids. Those aaRSs achieve their goal via editing reaction in the Connective Polypeptide 1 (CP1). Recently mutagenesis studies have revealed the critical importance of residues in the CP1 domain for editing activity and X-ray structures have shown binding mode of noncognate amino acids in the editing domain. To pursue molecular mechanism for amino acid discrimination, molecular modeling studies were performed. Our results suggest that aaRS bind the noncognate amino acid more tightly than the cognate one. Finally, by comparing binding conformations of the amino acids in three systems, the amino acid binding mode was elucidated and a discrimination mechanism proposed. The results strongly reveal that the conserved threonines are responsible for amino acid discrimination. This is achieved through side chain interactions between T252 and T247/T248 as well as between those threonines and the incoming amino acids.

Keywords: Amino acid discrimination, Binding free energy Leucyl-tRNAsynthetase, Molecular dynamics.

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Authors: Joanna M. Dulińska, Maria Fabijańska

Abstract:

In the paper the results of calculations of the dynamic response of a multi-storey reinforced concrete building to a strong mining shock originated from the main region of mining activity in Poland (i.e. the Legnica-Glogow Copper District) are presented. The representative time histories of accelerations registered in three directions were used as ground motion data in calculations of the dynamic response of the structure. Two variants of a numerical model were applied: the model including only structural elements of the building and the model including both structural and non-structural elements (i.e. partition walls and ventilation ducts made of brick). It turned out that non-structural elements of multi-storey RC buildings have a small impact of about 10 % on natural frequencies of these structures. It was also proved that the dynamic response of building to mining shock obtained in case of inclusion of all non-structural elements in the numerical model is about 20 % smaller than in case of consideration of structural elements only. The principal stresses obtained in calculations of dynamic response of multi-storey building to strong mining shock are situated on the level of about 30% of values obtained from static analysis (dead load).

Keywords: Dynamic characteristics of buildings, mining shocks, dynamic response of buildings, non-structural elements

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Authors: Yang Zhong, Mei-jie Xu

Abstract:

To study the dynamic mechanics response of asphalt pavement under the temperature load and vehicle loading, asphalt pavement was regarded as multilayered elastic half-space system, and theory analysis was conducted by regarding dynamic modulus of asphalt mixture as the parameter. Firstly, based on the dynamic modulus test of asphalt mixture, function relationship between the dynamic modulus of representative asphalt mixture and temperature was obtained. In addition, the analytical solution for thermal stress in single layer was derived by using Laplace integral transformation and Hankel integral transformation respectively by using thermal equations of equilibrium. The analytical solution of calculation model of thermal stress in asphalt pavement was derived by transfer matrix of thermal stress in multilayer elastic system. Finally, the variation of thermal stress in pavement structure was analyzed. The result shows that there is obvious difference between the thermal stress based on dynamic modulus and the solution based on static modulus. So the dynamic change of parameter in asphalt mixture should be taken into consideration when theoretical analysis is taken out.

Keywords: Asphalt pavement, dynamic modulus, integral transformation, transfer matrix, thermal stress.

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Authors: Chungkuk Jin, Moohyun Kim, Woo Chul Chung

Abstract:

This paper presents global performance and dynamic behaviors of a discrete-pontoon-type floating bridge with mooring lines in time domain under wind and wave excitations. The structure is designed for long-distance and deep-water crossing and consists of the girder, columns, pontoons, and mooring lines. Their functionality and behaviors are investigated by using elastic-floater/mooring fully-coupled dynamic simulation computer program. Dynamic wind, first- and second-order wave forces, and current loads are considered as environmental loads. Girder’s dynamic responses and mooring tensions are analyzed under different analysis methods and environmental conditions. Girder’s lateral responses are highly influenced by the second-order wave and wind loads while the first-order wave load mainly influences its vertical responses.

Keywords: Floating bridge, elastic dynamic response, coupled dynamics, mooring line, pontoon, wave/wind excitation, resonance, second-order effect.

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Authors: Lovorka Galetic, Zeljko Vukelic

Abstract:

The advanced concepts of strategic and innovation management in the sphere of company dynamic and innovation capabilities, and achieving their mutual alignment and a synergy effect, are important elements in business today. This paper analyses the theory and empirically investigates the influence of a company’s dynamic capabilities on its innovation capabilities. A new multidimensional model of dynamic capabilities is presented, consisting of five factors appropriate to real time requirements, while innovation capabilities are considered pursuant to the official OECD and Eurostat standards. After examination of dynamic and innovation capabilities indicated their theoretical links, the empirical study testing the model and examining the influence of a company’s dynamic capabilities on its innovation capabilities showed significant results. In the study, a research model was posed to relate company dynamic and innovation capabilities. One side of the model features the variables that are the determinants of dynamic capabilities defined through their factors, while the other side features the determinants of innovation capabilities pursuant to the official standards. With regard to the research model, five hypotheses were set. The study was performed in late 2014 on a representative sample of large and very large Croatian enterprises with a minimum of 250 employees. The research instrument was a questionnaire administered to company top management. For both variables, the position of the company was tested in comparison to industry competitors, on a fivepoint scale. In order to test the hypotheses, correlation tests were performed to determine whether there is a correlation between each individual factor of company dynamic capabilities with the existence of its innovation capabilities, in line with the research model. The results indicate a strong correlation between a company’s possession of dynamic capabilities in terms of their factors, due to the new multi-dimensional model presented in this paper, with its possession of innovation capabilities. Based on the results, all five hypotheses were accepted. Ultimately, it was concluded that there is a strong association between the dynamic and innovation capabilities of a company. 

Keywords: Dynamic capabilities, innovation capabilities, competitive advantage, business results.

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Authors: Snehal R. Pathak, Sachin S. Munnoli

Abstract:

Evaluation of dynamic earth pressure on retaining wall is a topic of primary importance. In present paper, dynamic active earth pressure and displacement of flexible cantilever retaining wall has been evaluated analytically using 2-DOF mass-spring-dashpot model by incorporating both wall and backfill properties. The effect of wall flexibility on dynamic active earth pressure and wall displacement are studied and presented in graphical form. The obtained results are then compared with the various conventional methods, experimental analysis and also with PLAXIS analysis. It is observed that the dynamic active earth pressure decreases with increase in the wall flexibility while wall displacement increases linearly with flexibility of the wall. The results obtained by proposed 2-DOF analytical model are found to be more realistic and economical.

Keywords: Earth pressure, earthquake, 2-DOF model, plaxis, wall movement, retaining walls.

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Authors: H. Sezgin, O. B. Berkalp, R. Mishra, J. Militky

Abstract:

In the last few decades, due to their advanced properties, there has been an increasing interest in hybrid composite materials. In this study, the effect of different stacking sequences of jute and carbon fabric plies on dynamic mechanical properties of composite laminates were investigated. Vacuum bagging system was used to fabricate the composite samples. Each composite laminate was reinforced with two plies of jute fabric and two plies of carbon fabric by varying the position of layers. Dynamic mechanical analyzer (DMA) was used to examine the dynamic mechanical properties of composite laminates with increasing temperature. Results showed that the composite sample, which has carbon fabric at the outer layers, has the highest storage and loss modulus. Besides, it was observed that glass transition temperature (T_g) of samples are close to each other and at about 75 °C.

Keywords: Differential scanning calorimetry dynamic mechanical analysis, textile reinforced composites, thermogravimetric analysis.

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Authors: H. Bensouilah, H. Boucherit, M. Lahmar

Abstract:

A theoretical investigation on the effects of both steady-state and dynamic deformations of the foils on the dynamic performance characteristics of a self-acting air foil journal bearing operating under small harmonic vibrations is proposed. To take into account the dynamic deformations of foils, the perturbation method is used for determining the gas-film stiffness and damping coefficients for given values of excitation frequency, compressibility number, and compliance factor of the bump foil. The nonlinear stationary Reynolds’ equation is solved by means of the Galerkins’ finite element formulation while the finite differences method are used to solve the first order complex dynamic equations resulting from the perturbation of the nonlinear transient compressible Reynolds’ equation. The stiffness of a bump is uniformly distributed throughout the bearing surface (generation I bearing). It was found that the dynamic properties of the compliant finite length journal bearing are significantly affected by the compliance of foils especially whenthe dynamic deformation of foils is considered in addition to the static one by applying the principle of superposition.

Keywords: Elasto-aerodynamic lubrication, Air foil bearing, Steady-state deformation, Dynamic deformation, Stiffness and damping coefficients, Perturbation method, Fluid-structure interaction, Galerk infinite element method, Finite difference method.

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Authors: Ting (Grace) Lin, Jianhong (Cecilia) Xia, Todd Robinson

Abstract:

Accessibility analysis, examining people’s ability to access facilities and destinations, is a fundamental assessment for transport planning, policy making, and social exclusion research. Dynamic accessibility which measures accessibility in real-time traffic environment has been an advanced accessibility indicator in transport research. It is also a useful indicator to help travelers to understand travel time daily variability, assists traffic engineers to monitor traffic congestions, and finally develop effective strategies in order to mitigate traffic congestions. This research involved real-time traffic information by collecting travel time data with 15-minute interval via the TomTom^® API. A framework for measuring dynamic accessibility was then developed based on the gravity theory and accessibility dichotomy theory through space and time interpolation. Finally, the dynamic accessibility can be derived at any given time and location under dynamic accessibility spatial analysis framework.

Keywords: Dynamic accessibility, space-time continuum, transport research, TomTom® API.

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Authors: Fan Yang, Ye-lu Wang, Yang Zhao

Abstract:

The dynamic load allowance, as an application result of the vehicle-bridge coupled vibration theory, is an important parameter for bridge design and evaluation. Based on the coupled vehicle-bridge vibration theory, the current work establishes a full girder model of a dynamic load allowance, selects a planar five-degree-of-freedom three-axis vehicle model, solves the coupled vehicle-bridge dynamic response using the APDL language in the spatial finite element program ANSYS, selects the pivot point 2 sections as the representative of the negative moment section, and analyzes the effects of parameters such as travel speed, unevenness, vehicle frequency, span diameter, span number and forced displacement of the support on the negative moment dynamic load allowance through orthogonal tests. The influence of parameters such as vehicle speed, unevenness, vehicle frequency, span diameter, span number, and forced displacement of the support on the negative moment dynamic load allowance is analyzed by orthogonal tests, and the influence law of each influencing parameter is summarized. It is found that the effects of vehicle frequency, unevenness, and speed on the negative moment dynamic load allowance are significant, among which vehicle frequency has the greatest effect on the negative moment dynamic load allowance; the effects of span number and span diameter on the negative moment dynamic load allowance are relatively small; the effects of forced displacement of the support on the negative moment dynamic load allowance are negligible.

Keywords: Continuous T-girder bridge, dynamic load allowance, sensitivity analysis, vehicle-bridge coupling.

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Authors: Muzaffer Borekci, Murat S. Kirçil

Abstract:

Predicting the collapse potential of a structure during earthquakes is an important issue in earthquake engineering. Many researchers proposed different methods to assess the collapse potential of structures under the effect of strong ground motions. However most of them did not consider degradation and softening effect in hysteretic behavior. In this study, collapse potential of SDOF systems caused by dynamic instability with stiffness and strength degradation has been investigated. An equation was proposed for the estimation of collapse period of SDOF system which is a limit value of period for dynamic instability. If period of the considered SDOF system is shorter than the collapse period then the relevant system exhibits dynamic instability and collapse occurs.

Keywords: Collapse, degradation, dynamic instability, seismic response.

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Authors: Rosemarie Velik, Dietmar Bruckner

Abstract:

Today, building automation is advancing from simple monitoring and control tasks of lightning and heating towards more and more complex applications that require a dynamic perception and interpretation of different scenes occurring in a building. Current approaches cannot handle these newly upcoming demands. In this article, a bionically inspired approach for multimodal, dynamic scene perception and interpretation is presented, which is based on neuroscientific and neuro-psychological research findings about the perceptual system of the human brain. This approach bases on data from diverse sensory modalities being processed in a so-called neuro-symbolic network. With its parallel structure and with its basic elements being information processing and storing units at the same time, a very efficient method for scene perception is provided overcoming the problems and bottlenecks of classical dynamic scene interpretation systems.

Keywords: building automation, biomimetrics, dynamic scene interpretation, human-like perception, neuro-symbolic networks.

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Authors: Musammat F. Nahar, Anna Roujeinikova

Abstract:

Bacterial molecular chaperone DnaK plays an essential role in protein folding, stress response and transmembrane targeting of proteins. DnaKs from many bacterial species, including Escherichia coli, Salmonella typhimurium and Haemophilus infleunzae are the molecular targets for the insect-derived antimicrobial peptide pyrrhocoricin. Pyrrhocoricin-like peptides bind in the substrate recognition tunnel. Despite the high degree of crossspecies sequence conservation in the substrate-binding tunnel, some bacteria are not sensitive to pyrrhocoricin. This work addresses the molecular mechanism of resistance of Helicobacter pylori DnaK to pyrrhocoricin. Homology modelling, structural and sequence analysis identify a single aminoacid substitution at the interface between the lid and the β-sandwich subdomains of the DnaK substrate-binding domain as the major determinant for its resistance.

Keywords: Helicobacter pylori, molecular chaperone DnaK, pyrrhocoricin, structural biology.

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Authors: K. C. Meher, R. K. Swain, C. K. Chanda

Abstract:

This paper presents the performance analysis of dynamic search space reduction (DSR) based gravitational search algorithm (GSA) to solve dynamic economic dispatch of thermal generating units with valve point effects. Dynamic economic dispatch basically dictates the best setting of generator units with anticipated load demand over a definite period of time. In this paper, the presented technique is considered that deals an inequality constraints treatment mechanism known as DSR strategy to accelerate the optimization process. The presented method is demonstrated through five-unit test systems to verify its effectiveness and robustness. The simulation results are compared with other existing evolutionary methods reported in the literature. It is intuited from the comparison that the fuel cost and other performances of the presented approach yield fruitful results with marginal value of simulation time.

Keywords: Dynamic economic dispatch, dynamic search space reduction strategy, gravitational search algorithm, ramp rate limits, valve-point effects.

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Authors: Tawakal Hasnain Baluch, Adnan Masood, Javaid Iqbal, Umer Izhar, Umar Shahbaz Khan

Abstract:

This paper will provide the kinematic and dynamic analysis of a lower limb exoskeleton. The forward and inverse kinematics of proposed exoskeleton is performed using Denevit and Hartenberg method. The torques required for the actuators will be calculated using Lagrangian formulation technique. This research can be used to design the control of the proposed exoskeleton.

Keywords: Dynamic Analysis, Exoskeleton, Kinematic Analysis, Lower Limb, Rehabilitation Robotics

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Authors: Salem El-tohami Ashoor

Abstract:

A novel new vanadium (IV) complexes incorporating the chelating diamido cyclopentadienyl {ArN(CH₂)₃NAr)}^2-((ηⁿ-Cp)Cp)} (Ar = 2,6-Prⁱ₂C₆H₃)(Cp = C₅H₅ and n = 1,2,3,4 and 5) have been studied with calculation of the properties of species involved in various of cyclopentadienyl reaction. These were carried out under investigation of density functional theory (DFT) calculation, and comparing together. Other methods, explicitly including electron correlation, are necessary for more accurate calculations; MB3LYP (Becke) (Lee–Yang–Parr) level of theory often being used to obtain more exact results. These complexes were estimated of electronic energy for molecular system, because it accounts for all electron correlation interactions.

The optimised of [V(ArN(CH₂)₃NAr)₂Cl(η⁵-Cp)] (Ar = 2,6-Prⁱ₂C₆H₃ and Cp= C₅H₅) was found to be thermally more stable than others of vanadium cyclopentadienyl. In the meantime the complex [V(ArN(CH₂)₃NAr)₂Cl(η¹-Cp)] (Ar = 2,6-Prⁱ₂C₆H₃ and Cp= C₅H₅) which is showed a low thermal stability in case of the just one carbon of cyclopentadienyl can be insertion with vanadium metal centre. By using Dewar-Chatt-Duncanson model, as a basis of the molecular orbital (MO) analysis and showed the highest occupied molecular orbital (HOMO) and lowest occupied molecular orbital LUMO.

Keywords: Vanadium(IV) cyclopentadienyl complexes, DFT, MO, HOMO, LUMO.

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