Search results for: crystal structure
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 8101

Search results for: crystal structure

6391 Bioinformatics Identification of Rare Codon Clusters in Proteins Structure of HBV

Authors: Abdorrasoul Malekpour, Mohammad Ghorbani Mojtaba Mortazavi, Mohammadreza Fattahi, Mohammad Hassan Meshkibaf, Ali Fakhrzad, Saeid Salehi, Saeideh Zahedi, Amir Ahmadimoghaddam, Parviz Farzadnia Dr., Mohammadreza Hajyani Asl Bs

Abstract:

Hepatitis B as an infectious disease has eight main genotypes (A–H). The aim of this study is to Bioinformatically identify Rare Codon Clusters (RCC) in proteins structure of HBV. For detection of protein family accession numbers (Pfam) of HBV proteins; used of uni-prot database and Pfam search tool were used. Obtained Pfam IDs were analyzed in Sherlocc program and RCCs in HBV proteins were detected. In further, the structures of TrEMBL entries proteins studied in PDB database and 3D structures of the HBV proteins and locations of RCCs were visualized and studied using Swiss PDB Viewer software. Pfam search tool have found nine significant hits and 0 insignificant hits in 3 frames. Results of Pfams studied in the Sherlocc program show this program not identified RCCs in the external core antigen (PF08290) and truncated HBeAg protein (PF08290). By contrast the RCCs become identified in Hepatitis core antigen (PF00906) Large envelope protein S (PF00695), X protein (PF00739), DNA polymerase (viral) N-terminal domain (PF00242) and Protein P (Pf00336). In HBV genome, seven RCC identified that found in hepatitis core antigen, large envelope protein S and DNA polymerase proteins and proteins structures of TrEMBL entries sequences that reported in Sherlocc program outputs are not complete. Based on situation of RCC in structure of HBV proteins, it suggested those RCCs are important in HBV life cycle. We hoped that this study provide a new and deep perspective in protein research and drug design for treatment of HBV.

Keywords: rare codon clusters, hepatitis B virus, bioinformatic study, infectious disease

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6390 Validity and Reliability of the Iranian Version of the Self-Expansion Questionnaire

Authors: Mehravar Javid, James Sexton, Farzaneh Amani, Kainaz Patravala

Abstract:

Self-expansion is a procedure through which people expand the dimensions of their self-concept by incorporating novel content into their sense and experience of identity. Greater self-expansion predicts positive consequences for individuals and romantic relationships. The self-expansion questionnaire (SEQ) originally developed by Lewandowski & Aron (2002) assumes that self-expansion is constituted of key components from the self-expansion model. This study aimed to confirm the factor structure of SEQ and adapt the questions of the scale to the Iranian culture. The sample included 190 participants who responded to 14 items and were selected by simple random sampling. Using Amos-21 and SPSS-21, descriptive statistics, Pearson correlation and Confirmatory Factor Analysis (CFA) were calculated. Cronbach’s alpha coefficient for total SEQ items was 0.92. Results of CFA supported the factor structure SEQ [RMSEA=0.08, GFI=0.88 and CFI=0.92] that showed the model has a good fit and also all the items of SEQ, have a high correlation and have a direct and significant relationship. So, the SEQ demonstrated acceptable psychometric properties in Tehran University students. Looking forward, it would be interesting and exciting to see the implications of the scale as applied to romantic relationships.

Keywords: validity, reliability, confirmatory factor analysis, self-expansion questionnaire

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6389 The Interrelations between Niemeyer’s Works and the Concept of Typology: A Computer Based Analysis of Form and Structure

Authors: Aline M. C. Santoro, João C. Pantoja, Eduardo P. Rossetti

Abstract:

While the aim of the modernist movement was to deny known typology, the creation of a new formal language also gave it new meaning, which was now related to Form. This is specifically true in the modern capital of Brazil, where Niemeyer sought to demonstrate the manner in which the new materials available, such as reinforced concrete, were able to produce innovative forms. With this study, we aim to demonstrate the relationship between Niemeyer’s forms and the topological typology known as tessellation, through the presentation of two case studies, the Monument to Caxias and the Saint George Orthodox Church. At a first glance, our purpose is to present the definition of Form, especially with relationship to the works of Niemeyer, seeking to identify in them the concepts presented by Moussavi. Afterwards, we will use a computer-based approach to study and model the forms of two of his buildings with the McNeel Rhinoceros program, where, with the aid of diagrams and renderings, we will be able to clearly and legibly represent their organic forms and further understand their structural systems. When we recognise the concept of typology as a starting point for structural form, it can be concluded that the case studies presented here are encompassed by the typology presented by Moussavi since they derive from his basic structural systems.

Keywords: form, Niemeyer, structure, typology, topology

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6388 Direct Electrophoretic Deposition of Hierarchical Structured Electrode Supercapacitor Application

Authors: Jhen-Ting Huang, Chia-Chia Chang, Hu-Cheng Weng, An-Ya Lo

Abstract:

In this study, Co3O4-CNT-Graphene composite electrode was deposited by electrophoretic deposition (EPD) method, where micro polystyrene spheres (PSs) were added for co-deposition. Applied with heat treatment, a hierarchical porosity is left in the electrode which is beneficial for supercapacitor application. In terms of charge and discharge performance, we discussed the optimal CNT/Graphene ratio, macroporous ratio, and the effect of Co3O4 addition on electrode capacitance. For materials characterization, scanning electron microscope (SEM), X-ray diffraction, and BET were applied, while cyclic voltammetry (CV) and chronopotentiometry (CP) measurements, and Ragone plot were applied as in-situ analyses. Based on this, the effects of PS amount on the structure, porosity and their effect on capacitance of the electrodes were investigated. Finally, the full device performance was examined with charge-discharge and electron impedance spectrum (EIS) methods. The results show that the EPD coating with hierarchical porosity was successfully demonstrated in this study. As a result, the capacitance was greatly enhanced by 2.6 times with the hierarchical structure.

Keywords: supercapacitor, nanocarbon tub, graphene, metal oxide

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6387 Reliability-Based Ductility Seismic Spectra of Structures with Tilting

Authors: Federico Valenzuela-Beltran, Sonia E. Ruiz, Alfredo Reyes-Salazar, Juan Bojorquez

Abstract:

A reliability-based methodology which uses structural demand hazard curves to consider the increment of the ductility demands of structures with tilting is proposed. The approach considers the effect of two orthogonal components of the ground motions as well as the influence of soil-structure interaction. The approach involves the calculation of ductility demand hazard curves for symmetric systems and, alternatively, for systems with different degrees of asymmetry. To get this objective, demand hazard curves corresponding to different global ductility demands of the systems are calculated. Next, Uniform Exceedance Rate Spectra (UERS) are developed for a specific mean annual rate of exceedance value. Ratios between UERS corresponding to asymmetric and to symmetric systems located in soft soil of the valley of Mexico are obtained. Results indicate that the ductility demands corresponding to tilted structures may be several times higher than those corresponding to symmetric structures, depending on several factors such as tilting angle and vibration period of structure and soil.

Keywords: asymmetric yielding, seismic performance, structural reliability, tilted structures

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6386 Investigation of Textile Laminates Structure and Electrical Resistance

Authors: A. Gulbiniene, V. Jankauskaite

Abstract:

Textile laminates with breathable membranes are used extensively in protective footwear. Such polymeric membranes act as a barrier to liquid water and soil entry from the environment, but are sufficiently permeable to water vapour to allow significant amounts of sweat to evaporate and affect the comfort of the wearer. In this paper the influence of absorbed humidity amount on the electrical properties of textiles lining laminates with and without polymeric membrane is presented. It was shown that textile laminate structure and its layers have a great influence on the water vapour absorption. Laminates with polyurethane foam layers show lower ability to absorb water vapour. Semi-permeable membrane increases absorbed humidity amount. The increase of water vapour absorption ability decreases textile laminates' electrical resistance. However, the intensity of the decrease in electrical resistance depends on the textile laminate layers' nature. Laminates with polyamide layers show significantly lower electrical resistance values.

Keywords: electrical resistance, humid atmosphere, textiles laminate, water vapour absorption

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6385 Effects of pH, Load Capacity and Contact Time in the Sulphate Sorption onto a Functionalized Mesoporous Structure

Authors: Jaime Pizarro, Ximena Castillo

Abstract:

The intensive use of water in agriculture, industry, human consumption and increasing pollution are factors that reduce the availability of water for future generations; the challenge is to advance in sustainable and low-cost solutions to reuse water and to facilitate the availability of the resource in quality and quantity. The use of new low-cost materials with sorbent capacity for pollutants is a solution that contributes to the improvement and expansion of water treatment and reuse systems. Fly ash, a residue from the combustion of coal in power plants that is produced in large quantities in newly industrialized countries, contains a high amount of silicon oxides and aluminum oxides, whose properties can be used for the synthesis of mesoporous materials. Properly functionalized, this material allows obtaining matrixes with high sorption capacity. The mesoporous materials have a large surface area, thermal and mechanical stability, uniform porous structure, and high sorption and functionalization capacities. The goal of this study was to develop hexagonal mesoporous siliceous material (HMS) for the adsorption of sulphate from industrial and mining waters. The silica was extracted from fly ash after calcination at 850 ° C, followed by the addition of water. The mesoporous structure has a surface area of 282 m2 g-1 and a size of 5.7 nm and was functionalized with ethylene diamine through of a self-assembly method. The material was characterized by Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS). The capacity of sulphate sorption was evaluated according to pH, maximum load capacity and contact time. The sulphate maximum adsorption capacity was 146.1 mg g-1, which is three times higher than commercial sorbents. The kinetic data were fitted according to a pseudo-second order model with a high coefficient of linear regression at different initial concentrations. The adsorption isotherm that best fitted the experimental data was the Freundlich model.

Keywords: fly ash, mesoporous siliceous, sorption, sulphate

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6384 Three-Dimensional Computer Graphical Demonstration of Calcified Tissue and Its Clinical Significance

Authors: Itsuo Yokoyama, Rikako Kikuti, Miti Sekikawa, Tosinori Asai, Sarai Tsuyoshi

Abstract:

Introduction: Vascular access for hemodialysis therapy is often difficult, even for experienced medical personnel. Ultrasound guided needle placement have been performed occasionally but is not always helpful in certain cases with complicated vascular anatomy. Obtaining precise anatomical knowledge of the vascular structure is important to prevent access-related complications. With augmented reality (AR) device such as AR glasses, the virtual vascular structure is shown superimposed on the actual patient vessels, thus enabling the operator to maneuver catheter placement easily with free both hands. We herein report our method of AR guided vascular access method in dialysis treatment Methods: Three dimensional (3D) object of the arm with arteriovenous fistula is computer graphically created with 3D software from the data obtained by computer tomography, ultrasound echogram, and image scanner. The 3D vascular object thus created is viewed on the screen of the AR digital display device (such as AR glass or iPad). The picture of the vascular anatomical structure becomes visible, which is superimposed over the real patient’s arm, thereby the needle insertion be performed under the guidance of AR visualization with ease. By this method, technical difficulty in catheter placement for dialysis can be lessened and performed safely. Considerations: Virtual reality technology has been applied in various fields and medical use is not an exception. Yet AR devices have not been widely used among medical professions. Visualization of the virtual vascular object can be achieved by creation of accurate three dimensional object with the help of computer graphical technique. Although our experience is limited, this method is applicable with relative easiness and our accumulating evidence has suggested that our method of vascular access with the use of AR can be promising.

Keywords: abdominal-aorta, calcification, extraskeletal, dialysis, computer graphics, 3DCG, CT, calcium, phosphorus

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6383 Structure Domains Tuning Magnetic Anisotropy and Motivating Novel Electric Behaviors in LaCoO₃ Films

Authors: Dechao Meng, Yongqi Dong, Qiyuan Feng, Zhangzhang Cui, Xiang Hu, Haoliang Huang, Genhao Liang, Huanhua Wang, Hua Zhou, Hawoong Hong, Jinghua Guo, Qingyou Lu, Xiaofang Zhai, Yalin Lu

Abstract:

Great efforts have been taken to reveal the intrinsic origins of emerging ferromagnetism (FM) in strained LaCoO₃ (LCO) films. However, some macro magnetic performances of LCO are still not well understood and even controversial, such as magnetic anisotropy. Determining and understanding magnetic anisotropy might help to find the true causes of FM in turn. Perpendicular magnetic anisotropy (PMA) was the first time to be directly observed in high-quality LCO films with different thickness. The in-plane (IP) and out of plane (OOP) remnant magnetic moment ratio of 30 unit cell (u.c.) films is as large as 20. The easy axis lays in the OOP direction with an IP/OOP coercive field ratio of 10. What's more, the PMA could be simply tuned by changing the thickness. With the thickness increases, the IP/OOP magnetic moment ratio remarkably decrease with magnetic easy axis changing from OOP to IP. Such a huge and tunable PMA performance exhibit strong potentials in fundamental researches or applications. What causes PMA is the first concern. More OOP orbitals occupation may be one of the micro reasons of PMA. A cluster-like magnetic domain pattern was found in 30 u.c. with no obvious color contrasts, similar to that of LaAlO₃/SrTiO₃ films. And the nanosize domains could not be totally switched even at a large OOP magnetic field of 23 T. It indicates strong IP characters or none OOP magnetism of some clusters. The IP magnetic domains might influence the magnetic performance and help to form PMA. Meanwhile some possible nonmagnetic clusters might be the reason why the measured moments of LCO films are smaller than the calculated values 2 μB/Co, one of the biggest confusions in LCO films.What tunes PMA seems much more interesting. Totally different magnetic domain patterns were found in 180 u.c. films with cluster magnetic domains surrounded by < 110 > cross-hatch lines. These lines were regarded as structure domain walls (DWs) determined by 3D reciprocal space mapping (RSM). Two groups of in-plane features with fourfold symmetry were observed near the film diffraction peaks in (002) 3D-RSM. One is along < 110 > directions with a larger intensity, which is well match the lines on the surfaces. The other is much weaker and along < 100 > directions, which is from the normal lattice titling of films deposited on cubic substrates. The < 110 > domain features obtained from (103) and (113) 3D-RSMs exhibit similar evolution of the DWs percentages and magnetic behavior. Structure domains and domain walls are believed to tune PMA performances by transform more IP magnetic moments to OOP. Last but not the least, thick films with lots of structure domains exhibit different electrical transport behaviors. A metal-to-insulator transition (MIT) and an angular dependent negative magnetic resistivity were observed near 150 K, higher than FM transition temperature but similar to that of spin-orbital coupling related 1/4 order diffraction peaks.

Keywords: structure domain, magnetic anisotropy, magnetic domain, domain wall, 3D-RSM, strain

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6382 The Effect of Addition of Some Rare Earth Materials to Zinc Aluminum Alloy ZA-22

Authors: Adnan I. O. Zaid

Abstract:

Zinc aluminum alloys are versatile materials which are widely used in manufacturing several parts in the automobile and aircraft industries. The effect of grain refinement of these alloys by rare earth elements on their mechanical characteristics is scarce. The equal channel angular pressing is relatively recent method for producing severe plastic deformation in materials subjected to it resulting in refinement of their structure and enhancement of their mechanical characteristics. The phase diagram of these alloys indicates that large dendrites of large grain size can be formed during their solidification of the cast which tends to deteriorate their mechanical strength and surface quality. To overcome this problem they are normally grain refined by either titanium or titanium + boron to their melt prior to solidification. In this paper, comparison between the effect of adding either titanium, (Ti), titanium+boron, (Ti+B), or Molybdenum, Mo, to zinc-aluminum22, alloy, (ZA22) on its metallurgical and mechanical characteristics in the cast condition and after pressing by the ECAP process is investigated. It was found that addition of either Ti, Ti+B, or Mo to the ZA22 alloy in the cast condition resulted in refining of their structure being more refined by the addition of Mo, then .Ti+B and less refining by Ti addition. Furthermore, the ECAP process resulted in further refinement of the alloy micro structure except in case of Ti+B addition where poisoning i.e. coarsening of the grains has occurred. Regarding the addition of these element on the mechanical behavior; it was found that addition of Ti Or Ti+B resulted in little enhancement of the alloy strength factor and its flow stress at 20% true strain; whereas, the addition of resulted in deteriorating of its mechanical behavior as % decrease in the strength factor and % in its flow stress of 20%. As for the strain hardening index; addition of any of these elements resulted in decreasing the strain hardening index.

Keywords: addition, grain refinement, mechanical characteristics, microstructure, rare earth elements, ZA-22, Zinc- aluminum alloy

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6381 Physical Aspects of Shape Memory and Reversibility in Shape Memory Alloys

Authors: Osman Adiguzel

Abstract:

Shape memory alloys take place in a class of smart materials by exhibiting a peculiar property called the shape memory effect. This property is characterized by the recoverability of two certain shapes of material at different temperatures. These materials are often called smart materials due to their functionality and their capacity of responding to changes in the environment. Shape memory materials are used as shape memory devices in many interdisciplinary fields such as medicine, bioengineering, metallurgy, building industry and many engineering fields. The shape memory effect is performed thermally by heating and cooling after first cooling and stressing treatments, and this behavior is called thermoelasticity. This effect is based on martensitic transformations characterized by changes in the crystal structure of the material. The shape memory effect is the result of successive thermally and stress-induced martensitic transformations. Shape memory alloys exhibit thermoelasticity and superelasticity by means of deformation in the low-temperature product phase and high-temperature parent phase region, respectively. Superelasticity is performed by stressing and releasing the material in the parent phase region. Loading and unloading paths are different in the stress-strain diagram, and the cycling loop reveals energy dissipation. The strain energy is stored after releasing, and these alloys are mainly used as deformation absorbent materials in control of civil structures subjected to seismic events, due to the absorbance of strain energy during any disaster or earthquake. Thermal-induced martensitic transformation occurs thermally on cooling, along with lattice twinning with cooperative movements of atoms by means of lattice invariant shears, and ordered parent phase structures turn into twinned martensite structures, and twinned structures turn into the detwinned structures by means of stress-induced martensitic transformation by stressing the material in the martensitic condition. Thermal induced transformation occurs with the cooperative movements of atoms in two opposite directions, <110 > -type directions on the {110} - type planes of austenite matrix which is the basal plane of martensite. Copper-based alloys exhibit this property in the metastable β-phase region, which has bcc-based structures at high-temperature parent phase field. Lattice invariant shear and twinning is not uniform in copper-based ternary alloys and gives rise to the formation of complex layered structures, depending on the stacking sequences on the close-packed planes of the ordered parent phase lattice. In the present contribution, x-ray diffraction and transmission electron microscopy (TEM) studies were carried out on two copper-based CuAlMn and CuZnAl alloys. X-ray diffraction profiles and electron diffraction patterns reveal that both alloys exhibit superlattice reflections inherited from the parent phase due to the displacive character of martensitic transformation. X-ray diffractograms taken in a long time interval show that diffraction angles and intensities of diffraction peaks change with the aging duration at room temperature. In particular, some of the successive peak pairs providing a special relation between Miller indices come close to each other. This result refers to the rearrangement of atoms in a diffusive manner.

Keywords: shape memory effect, martensitic transformation, reversibility, superelasticity, twinning, detwinning

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6380 Design and Analysis of Metamaterial Based Vertical Cavity Surface Emitting Laser

Authors: Ishraq M. Anjum

Abstract:

Distributed Bragg reflectors are used in vertical-cavity surface-emitting lasers (VCSELs) in order to achieve very high reflectivity. Use of metamaterial in place of distributed Bragg reflector can reduce the device size significantly. A silicon-based metamaterial near perfect reflector is designed to be used in place of distributed Bragg reflectors in VCSELs. Mie resonance in dielectric microparticles is exploited in order to design the metamaterial. A reflectivity of 98.31% is achieved using finite-difference time-domain method. An 808nm double intra-cavity contacted VCSEL structure with 1.5 λ cavity is proposed using this metamaterial near perfect reflector. The active region is designed to be composed of seven GaAs/AlGaAs quantum wells. Upon numerical investigation of the designed VCSEL structure, the threshold current is found to be 2.96 mA at an aperture of 40 square micrometers and the maximum output power is found to be 71 mW at a current of 141 mA. Miniaturization of conventional VCSELs is possible using this design.

Keywords: GaAs, LASER, metamaterial, VCSEL, vertical cavity surface emitting laser

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6379 Logical Thinking: A Surprising and Promising Insight for Creative and Critical Thinkers

Authors: Luc de Brabandere

Abstract:

Searchers in various disciplines have long tried to understand how a human being thinks. Most of them seem to agree that the brain works in two very different modes. For us, the first phase of thought imagines, diverges, and unlocks the field of possibilities. The second phase, judges converge and choose. But if we were to stop there, that would give the impression that thought is essentially an individual effort that seldom depends on context. This is, however, not the case. Whether we be a champion in creativity, so primarily in induction, or a master in logic where we are confronted with reality, the ideas we layout are indeed destined to be presented to third parties. They should therefore be exposed, defended, communicated, negotiated, or even sold. Regardless of the quality of the concepts we craft (creative thinking) and the interferences we build (logical thinking) we will take one day, or another, be confronted by people whose beliefs, opinions and ideas differ from ours (critical thinking). Logic and critique: The shared characteristics of logical and critical thoughts include a three-level structure of reasoning invented by the Greeks. For the first time in history, Aristotle tried to model thought deployable in three stages: the concept, the statement, and the reasoning. The three levels can be assessed according to different criteria. A concept is more or less useful, a statement is true or false, and reasoning is right or wrong. This three-level structure allows us to differentiate logic and critique, where the intention and words used are not the same. Logic only deals with the structure of reasoning and exhausts the problem. It regards premises as acquired and excludes the debate. Logic is in all certainty and pursues the truth. Critique is most probably searching for the plausible. Logic and creativity: Many known models present the brain as a two-stroke engine (divergence vs convergence, fast vs. slow, left-brain vs right-brain, Yin vs Yang, etc.). But that’s not the only thing. “Why didn’t we think of that before?” How often have we heard that sentence? A creative idea is the outcome of logic, but you can only understand it afterward! Through the use of exercises, we will witness how logic and creativity work together. A third theme is hidden behind the two main themes of the conference: logical thought, which the author can shed some light on.

Keywords: creativity, logic, critique, digital

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6378 Exploring Valproic Acid (VPA) Analogues Interactions with HDAC8 Involved in VPA Mediated Teratogenicity: A Toxicoinformatics Analysis

Authors: Sakshi Piplani, Ajit Kumar

Abstract:

Valproic acid (VPA) is the first synthetic therapeutic agent used to treat epileptic disorders, which account for affecting nearly 1% world population. Teratogenicity caused by VPA has prompted the search for next generation drug with better efficacy and lower side effects. Recent studies have posed HDAC8 as direct target of VPA that causes the teratogenic effect in foetus. We have employed molecular dynamics (MD) and docking simulations to understand the binding mode of VPA and their analogues onto HDAC8. A total of twenty 3D-structures of human HDAC8 isoforms were selected using BLAST-P search against PDB. Multiple sequence alignment was carried out using ClustalW and PDB-3F07 having least missing and mutated regions was selected for study. The missing residues of loop region were constructed using MODELLER and energy was minimized. A set of 216 structural analogues (>90% identity) of VPA were obtained from Pubchem and ZINC database and their energy was optimized with Chemsketch software using 3-D CHARMM-type force field. Four major neurotransmitters (GABAt, SSADH, α-KGDH, GAD) involved in anticonvulsant activity were docked with VPA and its analogues. Out of 216 analogues, 75 were selected on the basis of lower binding energy and inhibition constant as compared to VPA, thus predicted to have anti-convulsant activity. Selected hHDAC8 structure was then subjected to MD Simulation using licenced version YASARA with AMBER99SB force field. The structure was solvated in rectangular box of TIP3P. The simulation was carried out with periodic boundary conditions and electrostatic interactions and treated with Particle mesh Ewald algorithm. pH of system was set to 7.4, temperature 323K and pressure 1atm respectively. Simulation snapshots were stored every 25ps. The MD simulation was carried out for 20ns and pdb file of HDAC8 structure was saved every 2ns. The structures were analysed using castP and UCSF Chimera and most stabilized structure (20ns) was used for docking study. Molecular docking of 75 selected VPA-analogues with PDB-3F07 was performed using AUTODOCK4.2.6. Lamarckian Genetic Algorithm was used to generate conformations of docked ligand and structure. The docking study revealed that VPA and its analogues have more affinity towards ‘hydrophobic active site channel’, due to its hydrophobic properties and allows VPA and their analogues to take part in van der Waal interactions with TYR24, HIS42, VAL41, TYR20, SER138, TRP137 while TRP137 and SER138 showed hydrogen bonding interaction with VPA-analogues. 14 analogues showed better binding affinity than VPA. ADMET SAR server was used to predict the ADMET properties of selected VPA analogues for predicting their druggability. On the basis of ADMET screening, 09 molecules were selected and are being used for in-vivo evaluation using Danio rerio model.

Keywords: HDAC8, docking, molecular dynamics simulation, valproic acid

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6377 Scour Damaged Detection of Bridge Piers Using Vibration Analysis - Numerical Study of a Bridge

Authors: Solaine Hachem, Frédéric Bourquin, Dominique Siegert

Abstract:

The brutal collapse of bridges is mainly due to scour. Indeed, the soil erosion in the riverbed around a pier modifies the embedding conditions of the structure, reduces its overall stiffness and threatens its stability. Hence, finding an efficient technique that allows early scour detection becomes mandatory. Vibration analysis is an indirect method for scour detection that relies on real-time monitoring of the bridge. It tends to indicate the presence of a scour based on its consequences on the stability of the structure and its dynamic response. Most of the research in this field has focused on the dynamic behavior of a single pile and has examined the depth of the scour. In this paper, a bridge is fully modeled with all piles and spans and the scour is represented by a reduction in the foundation's stiffnesses. This work aims to identify the vibration modes sensitive to the rigidity’s loss in the foundations so that their variations can be considered as a scour indicator: the decrease in soil-structure interaction rigidity leads to a decrease in the natural frequencies’ values. By using the first-order perturbation method, the expression of sensitivity, which depends only on the selected vibration modes, is established to determine the deficiency of foundations stiffnesses. The solutions are obtained by using the singular value decomposition method for the regularization of the inverse problem. The propagation of uncertainties is also calculated to verify the efficiency of the inverse problem method. Numerical simulations describing different scenarios of scour are investigated on a simplified model of a real composite steel-concrete bridge located in France. The results of the modal analysis show that the modes corresponding to in-plane and out-of-plane piers vibrations are sensitive to the loss of foundation stiffness. While the deck bending modes are not affected by this damage.

Keywords: bridge’s piers, inverse problems, modal sensitivity, scour detection, vibration analysis

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6376 Analysis Of Non-uniform Characteristics Of Small Underwater Targets Based On Clustering

Authors: Tianyang Xu

Abstract:

Small underwater targets generally have a non-centrosymmetric geometry, and the acoustic scattering field of the target has spatial inhomogeneity under active sonar detection conditions. In view of the above problems, this paper takes the hemispherical cylindrical shell as the research object, and considers the angle continuity implied in the echo characteristics, and proposes a cluster-driven research method for the non-uniform characteristics of target echo angle. First, the target echo features are extracted, and feature vectors are constructed. Secondly, the t-SNE algorithm is used to improve the internal connection of the feature vector in the low-dimensional feature space and to construct the visual feature space. Finally, the implicit angular relationship between echo features is extracted under unsupervised condition by cluster analysis. The reconstruction results of the local geometric structure of the target corresponding to different categories show that the method can effectively divide the angle interval of the local structure of the target according to the natural acoustic scattering characteristics of the target.

Keywords: underwater target;, non-uniform characteristics;, cluster-driven method;, acoustic scattering characteristics

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6375 High Gain Broadband Plasmonic Slot Nano-Antenna

Authors: H. S. Haroyan, V. R. Tadevosyan

Abstract:

High gain broadband plasmonic slot nano-antenna has been considered. The theory of plasmonic slot nano-antenna (PSNA) has been developed. The analytical model takes into account also the electrical field inside the metal due to imperfectness of metal in optical range, as well as numerical investigation based on FEM method has been realized. It should be mentioned that Yagi-Uda configuration improves directivity in the plane of structure. In contrast, in this paper the possibility of directivity improvement of proposed PSNA in perpendicular plane of structure by using reflection metallic surface placed under the slot in fixed distance has been demonstrated. It is well known that a directivity improvement brings to the antenna gain increasing. This method of diagram improving is also well known from RF antenna design theory. Moreover the improvement of directivity in the perpendicular plane gives more flexibility in such application as improving the light and atom, ion, molecule interactions by using such type of plasmonic slot antenna. By the analogy of dipole type optical antennas the widening of working wavelengths has been realized by using bowtie geometry of slots, which made the antenna broadband.

Keywords: broadband antenna, high gain, slot nano-antenna, plasmonics.

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6374 Mixed Matrix Membranes Based on [M₂(DOBDC)] (M = Mg, Co, Ni) and Polydimethylsiloxane for CO₂/N₂ Separation

Authors: Hyunuk Kim, Yang No Yun, Muhammad Sohail, Jong-Ho Moon, Young Cheol Park

Abstract:

Metal-organic frameworks (MOFs), which are emerging absorbents assembled from metal ions and organic ligands, have attracted attention for their permanent porosity and design of tunable pore size. These microporous materials showed interesting properties for CO₂ storage and separation. In particular, MOFs with high surface area and open metal sites showed the remarkable adsorption capacity and selectivity for CO₂. [Mg₂ (DOBDC)] (DOBDC = 2,5-dioxidobenzene-1,4-dicarboxylate) (MOF-74 or CPO-27) is a well-known absorbent showing an exceptionally high CO₂ sorption capacity at low partial pressure and room temperature. In this work, we synthesized [M₂(DOBDC)(DMF)₂] (M = Mg, Co, Ni) and determined their single-crystal structures by X-ray crystallography. The removal of coordinated guest molecules generates Lewis acidic sites and showed high CO₂ adsorption affinity. Both CO₂ adsorption capacity and surface area are much higher than reported values in literature. To fabricate MMMs, microcrystalline [M₂ (DOBDC)(DMF)₂] was synthesized by microwave reaction and dispersed in PDMS solution. The MMMs with a various amount of [M₂ (DOBDC)(DMF) ₂] in PDMS were fabricated by a solution casting method. [M₂ (DOBDC)(DMF)₂]@PDMS membrane showed higher CO2 permeability and CO₂/N₂ selectivity than those of PDMS. Therefore, we believe that MMMs combining polymer and MOFs provide new materials for CO₂ separation technology.

Keywords: metal-organic frameworks, mixed matrix membrane, CO2/N2 separation, polydimethylsiloxane (PDMS)

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6373 Optimization of Reinforced Concrete Buildings According to the Algerian Seismic Code

Authors: Nesreddine Djafar Henni, Nassim Djedoui, Rachid Chebili

Abstract:

Recent decades have witnessed significant efforts being made to optimize different types of structures and components. The concept of cost optimization in reinforced concrete structures, which aims at minimizing financial resources while ensuring maximum building safety, comprises multiple materials, and the objective function for their optimal design is derived from the construction cost of the steel as well as concrete that significantly contribute to the overall weight of reinforced concrete (RC) structures. To achieve this objective, this work has been devoted to optimizing the structural design of 3D RC frame buildings which integrates, for the first time, the Algerian regulations. Three different test examples were investigated to assess the efficiency of our work in optimizing RC frame buildings. The hybrid GWOPSO algorithm is used, and 30000 generations are made. The cost of the building is reduced by iteration each time. Concrete and reinforcement bars are used in the building cost. As a result, the cost of a reinforced concrete structure is reduced by 30% compared with the initial design. This result means that the 3D cost-design optimization of the framed structure is successfully achieved.

Keywords: optimization, automation, API, Malab, RC structures

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6372 Investigation of Scaling Laws for Stiffness and strength in Bioinspired Glass Sponge Structures Produced by Fused Filament Fabrication

Authors: Hassan Beigi Rizi, Harold Auradou, Lamine Hattali

Abstract:

Various industries, including civil engineering, automotive, aerospace, and biomedical fields, are currently seeking novel and innovative high-performance lightweight materials to reduce energy consumption. Inspired by the structure of Euplectella Aspergillum Glass Sponges (EA-sponge), 2D unit cells were created and fabricated using a Fused Filament Fabrication (FFF) process with Polylactic acid (PLA) filaments. The stiffness and strength of bio-inspired EA-sponge lattices were investigated both experimentally and numerically under uniaxial tensile loading and are compared to three standard square lattices with diagonal struts (Designs B and C) and non-diagonal struts (Design D) reinforcements. The aim is to establish predictive scaling laws models and examine the deformation mechanisms involved. The results indicated that for the EA-sponge structure, the relative moduli and yield strength scaled linearly with relative density, suggesting that the deformation mechanism is stretching-dominated. The Finite element analysis (FEA), with periodic boundary conditions for volumetric homogenization, confirms these trends and goes beyond the experimental limits imposed by the FFF printing process. Therefore, the stretching-dominated behavior, investigated from 0.1 to 0.5 relative density, demonstrate that the study of EA-sponge structure can be exploited for the realization of square lattice topologies that are stiff and strong and have attractive potential for lightweight structural applications. However, the FFF process introduces an accuracy limitation, with approximately 10% error, making it challenging to print structures with a relative density below 0.2. Future work could focus on exploring the impact of different printing materials on the performance of EA-sponge structures.

Keywords: bio-inspiration, lattice structures, fused filament fabrication, scaling laws

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6371 World’s Fair (EXPO) Induced Heritage

Authors: Işılay Tiarnagh Sheridan

Abstract:

World EXPO, short version for the “exposition”, is a large universal public exhibition held since 1851. Within the 164 years, it was organized 34 times in 22 cities and as a result it has given birth to its very own culture unlike most of other international events. It has an outstanding power in transforming the places, in which it is held, into trademarks via changes in their urban tissues. For that, it is widely remembered with its cities instead of its countries. Within the scope of this change, some constructions were planned to be temporary, some planned to be permanent and some were thought to be temporary but kept afterwards becoming important monuments such as the Crystal Palace of London (though it was destroyed later by a fire) and the Eiffel Tower of Paris. These examples are the most prominent names upon considering World EXPOs. Yet, there are so many other legacies of these events within modern city fabric today that we don’t usually associate with its Expo history. Some of them are leading figures not only for the housing city but for other cities also, such as the first Metro line of Paris during 1900 World EXPO; some of them are listed as monuments of the cities such as Saint Louis Art Museum of 1904 World EXPO; some of them, like Melbourne Royal Exhibition Building of 1880 World’s EXPO, are among UNESCO World Heritage Sites and some of them are the masterpieces of modern architecture such as the famous Barcelona Pavilion, German pavilion of the 1929 World’s EXPO, of Ludwig Mies van der Rohe. Thus, the aim of this paper is to analyze the history of World’s EXPO and its eventual results in the birth of its own cultural heritage. Upon organizing these results, the paper aims to create a brief list of EXPO heritage monuments and sites so as to form a database for their further conservation needs.

Keywords: expo, heritage, world's fair, legacy

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6370 [Keynote Speech]: Bridge Damage Detection Using Frequency Response Function

Authors: Ahmed Noor Al-Qayyim

Abstract:

During the past decades, the bridge structures are considered very important portions of transportation networks, due to the fast urban sprawling. With the failure of bridges that under operating conditions lead to focus on updating the default bridge inspection methodology. The structures health monitoring (SHM) using the vibration response appeared as a promising method to evaluate the condition of structures. The rapid development in the sensors technology and the condition assessment techniques based on the vibration-based damage detection made the SHM an efficient and economical ways to assess the bridges. SHM is set to assess state and expects probable failures of designated bridges. In this paper, a presentation for Frequency Response function method that uses the captured vibration test information of structures to evaluate the structure condition. Furthermore, the main steps of the assessment of bridge using the vibration information are presented. The Frequency Response function method is applied to the experimental data of a full-scale bridge.

Keywords: bridge assessment, health monitoring, damage detection, frequency response function (FRF), signal processing, structure identification

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6369 Effect of Different Plan Shapes on the Load Carrying Capacity of a Steel Frame under Extreme Loading

Authors: Omid Khandel, Azadeh Parvin

Abstract:

An increase in accidental explosions in recent years has increased the interest on investigating the response and behavior of structures in more details. The present work focused on finite element analysis of multistory steel frame structures with different plan shapes subjected to blast loadings. In order to study the effect of the geometry of the building, three different shapes for the plan of the building were modeled and studied; Rectangular, Square and L shape plans. The nonlinear dynamic analysis was considered in this study. The relocation technique was also used to improve the behavior of structure. The accuracy of the multistory frame model was confirmed with those of the existing study in the literature and they were in good agreement. The effect of span length of the buildings was also considered. Finite element analysis of various scenarios for relocating the plastic hinges and improving the response of the structure was performed. The base shear versus displacement curves were compared to reveal the best possible scenarios to provide recommendations to designers and practitioners.

Keywords: nonlinear dynamic analysis, plastic hinge relocation, Retrofit, SAP2000

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6368 Motor Controller Implementation Using Model Based Design

Authors: Cau Tran, Tu Nguyen, Tien Pham

Abstract:

Model-based design (MBD) is a mathematical and visual technique for addressing design issues in the fields of communications, signal processing, and complicated control systems. It is utilized in several automotive, aerospace, industrial, and motion control applications. Virtual models are at the center of the software development process with model based design. A method used in the creation of embedded software is model-based design. In this study, the LAT motor is modeled in a simulation environment, and the LAT motor control is designed with a cascade structure, a speed and current control loop, and a controller that is used in the next part. A PID structure serves as this controller. Based on techniques and motor parameters that match the design goals, the PID controller is created for the model using traditional design principles. The MBD approach will be used to build embedded software for motor control. The paper will be divided into three distinct sections. The first section will introduce the design process and the benefits and drawbacks of the MBD technique. The design of control software for LAT motors will be the main topic of the next section. The experiment's results are the subject of the last section.

Keywords: model based design, limited angle torque, intellectual property core, hardware description language, controller area network, user datagram protocol

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6367 Microstructural and Electrochemical Investigation of Carbon Coated Nanograined LiFePO4 as Cathode Material for Li-Batteries

Authors: Rinlee Butch M. Cervera, Princess Stephanie P. Llanos

Abstract:

Lithium iron phosphate (LiFePO4) is a potential cathode material for lithium-ion batteries due to its promising characteristics. In this study, pure LiFePO4 (LFP) and carbon-coated nanograined LiFePO4 (LFP-C) is synthesized and characterized for its microstructural properties. X-ray diffraction patterns of the synthesized samples can be indexed to an orthorhombic LFP structure with about 63 nm crystallite size as calculated by using Scherrer’s equation. Agglomerated particles that range from 200 nm to 300 nm are observed from scanning electron microscopy images. Transmission electron microscopy images confirm the crystalline structure of LFP and coating of amorphous carbon layer. Elemental mapping using energy dispersive spectroscopy analysis revealed the homogeneous dispersion of the compositional elements. In addition, galvanostatic charge and discharge measurements were investigated for the cathode performance of the synthesized LFP and LFP-C samples. The results showed that the carbon-coated sample demonstrated the highest capacity of about 140 mAhg-1 as compared to non-coated and micrograined sized commercial LFP.

Keywords: ceramics, energy storage, electrochemical measurements, transmission electron microscope

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6366 Elastoplastic and Ductile Damage Model Calibration of Steels for Bolt-Sphere Joints Used in China’s Space Structure Construction

Authors: Huijuan Liu, Fukun Li, Hao Yuan

Abstract:

The bolted spherical node is a common type of joint in space steel structures. The bolt-sphere joint portion almost always controls the bearing capacity of the bolted spherical node. The investigation of the bearing performance and progressive failure in service often requires high-fidelity numerical models. This paper focuses on the constitutive models of bolt steel and sphere steel used in China’s space structure construction. The elastoplastic model is determined by a standard tensile test and calibrated Voce saturated hardening rule. The ductile damage is found dominant based on the fractography analysis. Then Rice-Tracey ductile fracture rule is selected and the model parameters are calibrated based on tensile tests of notched specimens. These calibrated material models can benefit research or engineering work in similar fields.

Keywords: bolt-sphere joint, steel, constitutive model, ductile damage, model calibration

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6365 Effects of Structure on Density-Induced Flow in Coastal and Estuarine Navigation Channel

Authors: Shuo Huang, Huomiao Guo, Wenrui Huang

Abstract:

In navigation channels located in coasts and estuaries as the waterways connecting coastal water to ports or harbors, density-induced flow often exist due to the density-gradient or gravity gradient as the results of mixing between fresh water from coastal rivers and saline water in the coasts. The density-induced flow often carries sediment transport into navigation channels and causes sediment depositions in the channels. As a result, expensive dredging may need to maintain the water depth required for navigation. In our study, we conduct a series of experiments to investigate the characteristics of density-induced flow in the estuarine navigation channels under different density gradients. Empirical equations between density flow and salinity gradient were derived. Effects of coastal structures for regulating navigation channel on density-induced flow have also been investigated. Results will be very helpful for improving the understanding of the characteristics of density-induced flow in estuarine navigation channels. The results will also provide technical support for cost-effective waterway regulation and management to maintain coastal and estuarine navigation channels.

Keywords: density flow, estuarine, navigation channel, structure

Procedia PDF Downloads 256
6364 Building Exoskeletons for Seismic Retrofitting

Authors: Giuliana Scuderi, Patrick Teuffel

Abstract:

The proven vulnerability of the existing social housing building heritage to natural or induced earthquakes requires the development of new design concepts and conceptual method to preserve materials and object, at the same time providing new performances. An integrate intervention between civil engineering, building physics and architecture can convert the social housing districts from a critical part of the city to a strategic resource of revitalization. Referring to bio-mimicry principles the present research proposes a taxonomy with the exoskeleton of the insect, an external, light and resistant armour whose role is to protect the internal organs from external potentially dangerous inputs. In the same way, a “building exoskeleton”, acting from the outside of the building as an enclosing cage, can restore, protect and support the existing building, assuming a complex set of roles, from the structural to the thermal, from the aesthetical to the functional. This study evaluates the structural efficiency of shape memory alloys devices (SMADs) connecting the “building exoskeleton” with the existing structure to rehabilitate, in order to prevent the out-of-plane collapse of walls and for the passive dissipation of the seismic energy, with a calibrated operability in relation to the intensity of the horizontal loads. The two case studies of a masonry structure and of a masonry structure with concrete frame are considered, and for each case, a theoretical social housing building is exposed to earthquake forces, to evaluate its structural response with or without SMADs. The two typologies are modelled with the finite element program SAP2000, and they are respectively defined through a “frame model” and a “diagonal strut model”. In the same software two types of SMADs, called the 00-10 SMAD and the 05-10 SMAD are defined, and non-linear static and dynamic analyses, namely push over analysis and time history analysis, are performed to evaluate the seismic response of the building. The effectiveness of the devices in limiting the control joint displacements resulted higher in one direction, leading to the consideration of a possible calibrated use of the devices in the different walls of the building. The results show also a higher efficiency of the 00-10 SMADs in controlling the interstory drift, but at the same time the necessity to improve the hysteretic behaviour, to maximise the passive dissipation of the seismic energy.

Keywords: adaptive structure, biomimetic design, building exoskeleton, social housing, structural envelope, structural retrofitting

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6363 RANS Simulation of Viscous Flow around Hull of Multipurpose Amphibious Vehicle

Authors: M. Nakisa, A. Maimun, Yasser M. Ahmed, F. Behrouzi, A. Tarmizi

Abstract:

The practical application of the Computational Fluid Dynamics (CFD), for predicting the flow pattern around Multipurpose Amphibious Vehicle (MAV) hull has made much progress over the last decade. Today, several of the CFD tools play an important role in the land and water going vehicle hull form design. CFD has been used for analysis of MAV hull resistance, sea-keeping, maneuvering and investigating its variation when changing the hull form due to varying its parameters, which represents a very important task in the principal and final design stages. Resistance analysis based on CFD (Computational Fluid Dynamics) simulation has become a decisive factor in the development of new, economically efficient and environmentally friendly hull forms. Three-dimensional finite volume method (FVM) based on Reynolds Averaged Navier-Stokes equations (RANS) has been used to simulate incompressible flow around three types of MAV hull bow models in steady-state condition. Finally, the flow structure and streamlines, friction and pressure resistance and velocity contours of each type of hull bow will be compared and discussed.

Keywords: RANS simulation, multipurpose amphibious vehicle, viscous flow structure, mechatronic

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6362 Optical Design and Modeling of Micro Light-Emitting Diodes for Display Applications

Authors: Chaya B. M., C. Dhanush, Inti Sai Srikar, Akula Pavan Parvatalu, Chirag Gowda R

Abstract:

Recently, there has been a lot of interest in µ-LED technology because of its exceptional qualities, including auto emission, high visibility, low consumption of power, rapid response and longevity. Light-emitting diodes (LED) using III-nitride, such as lighting sources, visible light communication (VLC) devices, and high-power devices, are finding increasing use as miniaturization technology advances. The use of micro-LED displays in place of traditional display technologies like liquid crystal displays (LCDs) and organic light-emitting diodes (OLEDs) is one of the most prominent recent advances, which may even represent the next generation of displays. The development of fully integrated, multifunctional devices and the incorporation of extra capabilities into micro-LED displays, such as sensing, light detection, and solar cells, are the pillars of advanced technology. Due to the wide range of applications for micro-LED technology, the effectiveness and dependability of these devices in numerous harsh conditions are becoming increasingly important. Enough research has been conducted to overcome the under-effectiveness of micro-LED devices. In this paper, different Micro LED design structures are proposed in order to achieve optimized optical properties. In order to attain improved external quantum efficiency (EQE), devices' light extraction efficiency (LEE) has also been boosted.

Keywords: finite difference time domain, light out coupling efficiency, far field intensity, power density, quantum efficiency, flat panel displays

Procedia PDF Downloads 77