Search results for: non-crimp structure

Authors: Nesrine Benarous, Hassiba Bougueria, Nabila Moussa Slimane, Aouatef Cherouana

Abstract:

Crystal polymorphism is important for the synthesis of more potent and bioactive pharmaceutical compounds, including their different properties, such as packing arrangement and conformation. In fact, polymorphism plays a vital role in drug development. Different parameters affect the crystallization and give their degree of freedom. Severalproperties affected polymorphism, like kinetics, thermodynamics, spectroscopy, and mechanical property. Various techniques are used for characterizing polymorphs, are crystallography, morphology, phase transitions, molecular motion, and chemical environment. In this work, crystal structures of two polymorphs (I and II) of the Schiff base (SB) title compound were prepared by condensation reaction. The crystal structures of both polymorphs were determined by single X-ray analysis. The two polymorphs crystallize in two different space groups: P21/c for I and Pbca for II. The dihedral angles between the two phenyl rings are 4.81º for I and 82.27º for II. Both crystal structures are built on the basis of moderate and weak hydrogen bonds, 𝜋-stacking, and halogen⋯halogeninteractions. On the other hand, Hirshfeld surface (HS) analysis indicates that the most important contributions to the crystal packing for the two polymorphs are from Cl⋯H/H⋯Cl, H⋯H, and N⋯H/H⋯N contacts. These are followed by C⋯H/H⋯C for compound I and C⋯C and by C⋯H/H⋯C contacts for compound II. Afterwards, the in vitro antibacterial activity revealed that the SB have been found effective against G- bacteria Klebsiella pneumonia andG+ bacteria Staphylococcus aureuswith MIC value of14.37μg/mL. Moreover, the SBexhibited moderate toxicity against Brine Shrimp with LC50 value of 44.19μg/mL.

Keywords: polymorph, crystal structure, hirshfeld surface analysis, in vitro antibacterial activity, toxicity

Procedia PDF Downloads 111

Authors: Abid I. Abu-Tair, Gavin M. Wilde, John M. Kinuthia

Abstract:

Urban Search and Rescue (USAR) is a functional capability that has been developed to allow the United Kingdom Fire and Rescue Service to deal with ‘major incidents’ primarily involving structural collapse. The nature of the work undertaken by USAR means that staying out of a damaged or collapsed building structure is not usually an option for search and rescue personnel. As a result, there is always a risk that they could become victims. For this paper, a systematic and investigative review using desk research was undertaken to explore the role which structural engineering can play in assisting search and rescue personnel to conduct structural assessments when in the field. The focus is on how search and rescue personnel can assess damaged and collapsed building structures, not just in terms of the structural damage that may be countered, but also in relation to structural stability. Natural disasters, accidental emergencies, acts of terrorism and other extreme events can vary significantly in nature and ferocity, and can cause a wide variety of damage to building structures. It is not possible or, even realistic, to provide search and rescue personnel with definitive guidelines and procedures to assess damaged and collapsed building structures as there are too many variables to consider. However, understanding what implications damage may have upon the structural stability of a building structure will enable search and rescue personnel to judge better and quantify the risk from a life-safety standpoint. It is intended that this will allow search and rescue personnel to make informed decisions and ensure every effort is made to mitigate risk so that they do not become victims.

Keywords: damaged and collapsed building structures, life safety, quantifying risk, search and rescue personnel, structural assessments in the field

Procedia PDF Downloads 393

Authors: Amir Shariffar, Haider Salman, Tanveer Siddique, Omar Manasreh

Abstract:

According to the recent studies on metal-oxide memristors, researchers tend to improve the stability, endurance, and uniformity of resistive switching (RS) behavior in memristors. Specifically, the main challenge is to prevent abrupt ruptures in the memristor’s filament during the RS process. To address this problem, we are proposing a low-cost hybrid structure of metal oxide quantum dots (QDs) and thin films to control the formation of filaments in memristors. We aim to use metal oxide quantum dots because of their unique electronic properties and quantum confinement, which may improve the resistive switching behavior. QDs have discrete energy spectra due to electron confinement in three-dimensional space. Because of Coulomb repulsion between electrons, only a few free electrons are contained in a quantum dot. This fact might guide the growth direction for the conducting filaments in the metal oxide memristor. As a result, it is expected that QDs can improve the endurance and uniformity of RS behavior in memristors. Moreover, we use a hybrid structure of intrinsic n-type quantum dots and p-type thin films to introduce a potential barrier at the junction that can smooth the transition between high and low resistance states. A bottom-up approach is used for fabricating the proposed memristor using different types of metal-oxide QDs and thin films. We synthesize QDs including, zinc oxide, molybdenum trioxide, and nickel oxide combined with spin-coated thin films of titanium dioxide, copper oxide, and hafnium dioxide. We employ fluorine-doped tin oxide (FTO) coated glass as the substrate for deposition and bottom electrode. Then, the active layer composed of one type of quantum dots, and the opposite type of thin films is spin-coated onto the FTO. Lastly, circular gold electrodes are deposited with a shadow mask by using electron-beam (e-beam) evaporation at room temperature. The fabricated devices are characterized using a probe station with a semiconductor parameter analyzer. The current-voltage (I-V) characterization is analyzed for each device to determine the conduction mechanism. We evaluate the memristor’s performance in terms of stability, endurance, and retention time to identify the optimal memristive structure. Finally, we assess the proposed hypothesis before we proceed to the optimization process for fabricating the memristor.

Keywords: memristor, quantum dot, resistive switching, thin film

Procedia PDF Downloads 122

Authors: Amit S. Chauhan, S. Mandal

Abstract:

The structural response of shear walls subjected to various types of loads is difficult to predict precisely. They are incorporated in buildings to resist lateral forces and support the gravity loads. The steel plate shear walls (SPSWs) are used as lateral load resisting systems for buildings and acts as an alternative to reinforced concrete shear walls (RCSWs). This paper compares the behavior of SPSW with the RCSW incorporated in a building frame having G+6 storey, located in Zone III, using the technique of Equivalent Static Method (ESM) as per Indian Standard Criteria For Earthquake Resistant Design of Structures IS 1893:2002. This paper intends to evaluate several parameters such as lateral displacement at tip, inter-storey drift, weight of steel and volume of concrete with the alteration of the shear wall with respect to different types viz., SPSW and RCSW. The strip model employed in this study is a widely accepted analytical tool for SPSW analysis. SPSW can be modelled as truss members by using a series of diagonal tension strips positioned at 45-degree angles. In this paper, by replacing the SPSWs with the tension strips, the G+6 building has been analyzed using STAAD.Pro V8i. Based on the present study, it can be concluded that structure with SPSWs is much better then structure with RCSWs.

Keywords: equivalent static method, inter-storey drift, lateral displacement, Steel plate shear wall, strip model

Procedia PDF Downloads 246

Authors: Mohamed A. Almoghalis, Osman M. Hegazy, Ibrahim F. Imam, Ali H. Elbastawessy

Abstract:

This paper presents a new hyperspectral image segmentation scheme with respect to both spatial and spectral contexts. The scheme uses the 8-pixels spatial pattern to build a weight structure that holds the number of outlier bands for each pixel among its neighborhood windows in different directions. The number of outlier bands for a pixel is obtained using bands quartile box plots profile among spatial 8-pixels pattern windows. The quartile box plot weight structure represents the spatial-spectral context in the image. Instead of starting segmentation process by single pixels, the proposed methodology starts by pixels groups that proved to share the same spectral features with respect to their spatial context. As a result, the segmentation scheme starts with Jigsaw pieces that build a mosaic image. The following step builds a model for each Jigsaw piece in the mosaic image. Each Jigsaw piece will be merged with another Jigsaw piece using KNN applied to their bands' quartile box plots profiles. The scheme iterates till required number of segments reached. Experiments use two data sets obtained from Earth Observer 1 (EO-1) sensor for Egypt and France. Initial results qualitative analysis showed encouraging results compared with ground truth. Quantitative analysis for the results will be included in the final paper.

Keywords: hyperspectral image segmentation, image processing, remote sensing, box plot

Procedia PDF Downloads 605

Authors: Hela Ayeb Mrabtini, Ghazi Bellakhal, Jamel Chahed

Abstract:

The presence of the dispersed phase in gas-liquid bubbly flow considerably alters the liquid turbulence. The bubbles induce turbulent fluctuations that enhance the global liquid turbulence level and alter the mechanisms of turbulence. RANS modeling of uniformly sheared flows on an isolated sphere centered in a control volume is performed using first and second order turbulence closures. The sphere is placed in the production-dissipation equilibrium zone where the liquid velocity is set equal to the relative velocity of the bubbles. The void fraction is determined by the ratio between the sphere volume and the control volume. The analysis of the turbulence statistics on the control volume provides numerical results that are interpreted with regard to the effect of the bubbles wakes on the turbulence structure in uniformly sheared bubbly flow. We assumed for this purpose that at low void fraction where there is no hydrodynamic interaction between the bubbles, the single-phase flow simulation on an isolated sphere is representative on statistical average of a sphere network. The numerical simulations were firstly validated against the experimental data of bubbly homogeneous turbulence with constant shear and then extended to produce numerical results for a wide range of shear rates from 0 to 10 s^-1. These results are compared with our turbulence closure proposed for gas-liquid bubbly flows. In this closure, the turbulent stress tensor in the liquid is split into a turbulent dissipative part produced by the gradient of the mean velocity which also contains the turbulence generated in the bubble wakes and a pseudo-turbulent non-dissipative part induced by the bubbles displacements. Each part is determined by a specific transport equation. The simulations of uniformly sheared flows on an isolated sphere reproduce the mechanisms related to the turbulent part, and the numerical results are in perfect accordance with the modeling of the transport equation of the turbulent part. The reduction of second order turbulence closure provides a description of the modification of turbulence structure by the bubbles presence using a dimensionless number expressed in terms of two-time scales characterizing the turbulence induced by the shear and that induced by bubbles displacements. The numerical simulations carried out in the framework of a comprehensive analysis reproduce particularly the attenuation of the turbulent friction showed in the experimental results of bubbly homogeneous turbulence subjected to a constant shear.

Keywords: gas-liquid bubbly flows, homogeneous turbulence, turbulence closure, uniform shear

Procedia PDF Downloads 460

Authors: Halima Djaaboube, Redha Aouati, Ibtissem Loucif, Yassine Bouachiba, Mouad Chettab, Adel Taabouche, Sihem Abed, Salima Ouendadji, Abderrahmane Bouabellou

Abstract:

Thin films of pure and barium-doped zinc oxide (ZnO) were prepared using spray pyrolysis process. The films were deposited on glass substrates at 450°C. The different samples are characterized by X-ray diffraction (XRD) and UV-Vis spectroscopy. X-ray diffraction patterns reveal the formation of a single ZnO Wurtzite structure and the good crystallinity of the films. The substitution of Ba ions influences the texture of the layers and makes the (002) plane a preferential growth plane. At concentrations below 6% Ba, the hexagonal structure of ZnO undergoes compressive stresses due to barium ions which have a radius twice of the Zn ions. This result leads to the decrees of a and c parameters and therefore the volume of the unit cell. This result is confirmed by the decrease in the number of crystallites and the increase in the size of the crystallites. At concentrations above 6%, barium substitutes the zinc atom and modifies the structural parameters of the thin layers. The bandgap of ZnO films decreased with increasing doping, this decrease is probably due to the 4d orbitals of the Ba atom due to the sp-d spin-exchange interactions between the band electrons and the localized d-electrons of the substituted Ba ion. Although, the Urbache energy undergoes an increase which implies the creation of energy levels below the conduction band and decreases the band gap width. The photocatalytic activity of ZnO doped 9% Ba was evaluated by the photodegradation of methylene blue under UV irradiation.

Keywords: barium, doping, photodegradation, spray pyrolysis, ZnO.

Procedia PDF Downloads 120

Authors: Shivaji M. Sonawane, N. B. Chaure

Abstract:

ZnTe is direct band gap, the P-type semiconductor with the high absorption coefficient of the order of 104cm-1 is suitable for solar cell development. It can be used as a low resistive ohmic contact to CdS/CdTe or tandem solar cell application. ZnTe and Cu-ZnTe thin film have been electrochemically synthesized on to fluorine-doped tin oxide coated glass substrates using three electrode systems containing Ag/AgCl, graphite and FTO as reference, counter and working electrode respectively were used to deposit the thin films. The aqueous electrolytic solution consist of 0.5M TeO2, 0.2M ZnSO4, and 0.1M Na3C6H5O7:2H2O, 0.1MC6H8O7:H2O and 0.1mMCuSO4 with PH 2.5 at room temperature was used. The reaction mechanism is studied in the cyclic voltammetry to identify the deposition potentials of ZnTe and Cu-ZnTe.The potential was optimized in the range -0,9 to -1,1 V. Vs Ag/AgCl reference electrode. The effect of deposition potential on the structural properties was studied by using X-ray diffraction. The X-ray diffraction result reveled cubic crystal structure of ZnTe with preferential (111) orientation with cubic structure. The surface morphology and film composition were analyzed by means of Scanning electron microscopy (SEM) and Energy Dispersive Analysis of X- Rays (EDAX). The optical absorption measurement has been analyzed for the band gap determination of deposited layers about 2.26 eV by UV-Visible spectroscopy. The drastic change in resistivity has been observed due to incorporation of copper probably due to the diffusion of Cu into grain boundaries.

Keywords: ohmic back contact, zinc telluride, electrodeposition, photovoltaic devices

Procedia PDF Downloads 228

Authors: A. Nicknam, N. Eftekhari, A. Mazarei, M. Ganjvar

Abstract:

This article presents an alternative collapse capacity intensity measure in the three elements form which is influenced by the spectral ordinates at periods longer than that of the first mode period at near and far source sites. A parameter, denoted by β, is defined by which the spectral ordinate effects, up to the effective period (2T_1), on the intensity measure are taken into account. The methodology permits to meet the hazard-levelled target extreme event in the probabilistic and deterministic forms. A MATLAB code is developed involving OpenSees to calculate the collapse capacities of the 8 archetype RC structures having 2 to 20 stories for regression process. The incremental dynamic analysis (IDA) method is used to calculate the structure’s collapse values accounting for the element stiffness and strength deterioration. The general near field set presented by FEMA is used in a series of performing nonlinear analyses. 8 linear relationships are developed for the 8structutres leading to the correlation coefficient up to 0.93. A collapse capacity near field prediction equation is developed taking into account the results of regression processes obtained from the 8 structures. The proposed prediction equation is validated against a set of actual near field records leading to a good agreement. Implementation of the proposed equation to the four archetype RC structures demonstrated different collapse capacities at near field site compared to those of FEMA. The reasons of differences are believed to be due to accounting for the spectral shape effects.

Keywords: collapse capacity, fragility analysis, spectral shape effects, IDA method

Procedia PDF Downloads 239

Authors: Domenico Chizzoniti, Monica Moscatelli, Letizia Cattani, Luca Preis

Abstract:

A primary healthcare facility in developing countries should be a multifunctional space able to respond to different requirements: Flexibility, modularity, aggregation and reversibility. These basic features could be better satisfied if applied to an architectural artifact that complies with the typological, figurative and constructive aspects of the context in which it is located. Therefore, the purpose of this paper is to identify a procedure that can define the figurative aspects of the architectural structure of the health prototype for the marginal areas of developing countries through a critical approach. The application context is the rural areas of the Northeast of Bahia in Brazil. The prototype should be located in the rural district of Quingoma, in the municipality of Lauro de Freitas, a particular place where there is still a cultural fusion of black and indigenous populations. Based on the historical analysis of settlement strategies and architectural structures in spaces of public interest or collective use, this paper aims to provide a procedure able to identify the categories and rules underlying typological and figurative aspects, in order to detect significant and generalizable elements, as well as materials and constructive techniques typically adopted in the rural areas of Brazil. The object of this work is therefore not only the recovery of certain constructive approaches but also the development of a procedure that integrates the requirements of the primary healthcare prototype with its surrounding economic, social, cultural, settlement and figurative conditions.

Keywords: architectural typology, developing countries, local construction techniques, primary health care.

Procedia PDF Downloads 323

Authors: Amir Moslemi, Amir movafeghi, Shahab Moradi

Abstract:

One of the most important challenging factors in medical images is nominated as noise.Image denoising refers to the improvement of a digital medical image that has been infected by Additive White Gaussian Noise (AWGN). The digital medical image or video can be affected by different types of noises. They are impulse noise, Poisson noise and AWGN. Computed tomography (CT) images are subjected to low quality due to the noise. The quality of CT images is dependent on the absorbed dose to patients directly in such a way that increase in absorbed radiation, consequently absorbed dose to patients (ADP), enhances the CT images quality. In this manner, noise reduction techniques on the purpose of images quality enhancement exposing no excess radiation to patients is one the challenging problems for CT images processing. In this work, noise reduction in CT images was performed using two different directional 2 dimensional (2D) transformations; i.e., Curvelet and Contourlet and Discrete wavelet transform(DWT) thresholding methods of BayesShrink and AdaptShrink, compared to each other and we proposed a new threshold in wavelet domain for not only noise reduction but also edge retaining, consequently the proposed method retains the modified coefficients significantly that result in good visual quality. Data evaluations were accomplished by using two criterions; namely, peak signal to noise ratio (PSNR) and Structure similarity (Ssim).

Keywords: computed tomography (CT), noise reduction, curve-let, contour-let, signal to noise peak-peak ratio (PSNR), structure similarity (Ssim), absorbed dose to patient (ADP)

Procedia PDF Downloads 441

Authors: Zi-Ang Li, Mu-Xuan Tao

Abstract:

During the process of the industrialization of steel structure housing, a composite structural system with separated gravity and lateral resistant systems has been applied in engineering practices, which consists of composite frame with hinged beam-column joints, steel brace and RC shear wall. As an attempt in steel structural system area, seismic performance evaluation of the separated composite structure is important for further application in steel housing. This paper focuses on the seismic performance comparison of the separated composite structural system and traditional steel frame-shear wall system under the same inter-story drift ratio (IDR) provision limit. The same architectural layout of a high-rise building is designed as two different structural systems at the same IDR level, and finite element analysis using pushover method is carried out. Static pushover analysis implies that the separated structural system exhibits different lateral deformation mode and failure mechanism with traditional steel frame-shear wall system. Different indexes are adopted and discussed in seismic performance evaluation, including IDR, safe factor (SF), shear wall damage, etc. The performance under maximum considered earthquake (MCE) demand spectrum shows that the shear wall damage of two structural systems are similar; the separated composite structural system exhibits less plastic hinges; and the SF index value of the separated composite structural system is higher than the steel frame shear wall structural system.

Keywords: finite element analysis, new composite structural system, seismic performance evaluation, static pushover analysis

Procedia PDF Downloads 136

Authors: Busra Nur Ozguler Aktel

Abstract:

This research aims to understand the factors that affect the ways in which tribes perceive and respond to violent conflicts in fragile states, given that tribes are essential stakeholders in many conflict-ridden fragile states, whether Afghanistan, Iraq, Syria, Libya, Somalia, Nigeria, or Yemen. It explores the primary questions of why some tribes align with extremist groups while others align with states during civil wars and why some tribes switch alignments. It argues that tribes form and switch alignments based on their perception of threats to their traditional tribal structure (internal dynamics) and clientelist relationships (external dynamics). Put differently; threat perceptions lead them to choose either the state or extremist groups that will more likely secure their traditional structure and patronage networks. This study focuses on Iraqi tribes as a case study. It builds a theory of tribal alignment formation based on ethnographic fieldwork in the Middle East, with a particular focus on Iraqi Sunni tribes living in the Kurdish region of Iraq and Jordan. As a result of the interviews with tribal leaders and members, local journalists, researchers, and politicians, it concludes that complex (re)alignments of tribes can determine the course and outcome of the conflicts, either mitigating or escalating violence. This study contributes to the larger body of conflict management and peacebuilding literature by introducing tribes as non-state actors and exploring their interactions with other actors in civil wars.

Keywords: civil wars, tribes, alignment formation, side-switching, Iraq

Procedia PDF Downloads 87

Authors: S. Chaudhuri, P. A. Bhobe

Abstract:

Fe₂TiSn is a non-magnetic full Heusler alloy with a small gap (~ 0.07 eV) at the Fermi level. The electronic structure is highly symmetric in both the spin bands and a small percentage of substitution of holes or electrons can push the system towards spin polarization. A stable 100% spin polarization or half-metallicity is very desirable in the field of spintronics, making Fe₂TiSn a highly attractive material. However, this composition suffers from an inherent anti-site disorder between Fe and Ti sites. This paper reports on the method adopted to control the anti-site disorder and the realization of the half-metallic ground state in Fe₂TiSn, achieved by chemical substitution. Here, Sb was substituted at Sn site to obtain Fe₂TiSn₁₋ₓSbₓ compositions with x = 0, 0.1, 0.25, 0.5 and 0.6. All prepared compositions with x ≤ 0.6 exhibit long-range L2₁ ordering and a decrease in Fe – Ti anti-site disorder. The transport and magnetic properties of Fe₂TiSn₁₋ₓSbₓ compositions were investigated as a function of temperature in the range, 5 K to 400 K. Electrical resistivity, magnetization, and Hall voltage measurements were carried out. All the experimental results indicate the presence of the half-metallic ground state in x ≥ 0.25 compositions. However, the value of saturation magnetization is small, indicating the presence of compensated magnetic moments. The observed magnetic moments' values are in close agreement with the Slater–Pauling rule in half-metallic systems. Magnetic interactions in Fe₂TiSn₁₋ₓSbₓ are understood from the local crystal structural perspective using extended X-ray absorption fine structure (EXAFS) spectroscopy. The changes in bond distances extracted from EXAFS analysis can be correlated with the hybridization between constituent atoms and hence the RKKY type magnetic interactions that govern the magnetic ground state of these alloys. To complement the experimental findings, first principle electronic structure calculations were also undertaken. The spin-polarized DOS complies with the experimental results for Fe₂TiSn₁₋ₓSbₓ. Substitution of Sb (an electron excess element) at Sn–site shifts the majority spin band to the lower energy side of Fermi level, thus making the system 100% spin polarized and inducing long-range magnetic order in an otherwise non-magnetic Fe₂TiSn. The present study concludes that a stable half-metallic system can be realized in Fe₂TiSn with ≥ 50% Sb – substitution at Sn – site.

Keywords: antisite disorder, EXAFS, Full Heusler alloy, half metallic ferrimagnetism, RKKY interactions

Procedia PDF Downloads 139

Authors: V. Manush Nandan, K. Lokdeep, R. Vimal, K. Hari Hara Subramanyan, C. Aswin, V. Logeswaran

Abstract:

Natural fibers have attained the potential market in the composite industry because of the huge environmental impact caused by synthetic fibers. Among the natural fibers, jute fibers are the most abundant plant fibers which are manufactured mainly in countries like India. Even though there is a good motive to utilize the natural supplement, the strength of the natural fiber composites is still a topic of discussion. In recent days, many researchers are showing interest in the chemical modification of the natural fibers to increase various mechanical and thermal properties. In the present study, jute fibers have been modified chemically using glutaric anhydride at different concentrations of 5%, 10%, 20%, and 30%. The glutaric anhydride solution is prepared by dissolving the different quantity of glutaric anhydride in benzene and dimethyl-sulfoxide using sodium formate catalyst. The jute fiber mats have been treated by the method of retting at various time intervals of 3, 6, 12, 24, and 36 hours. The modification structure of the treated fibers has been confirmed with infrared spectroscopy. The degree of modification increases with an increase in retention time, but higher retention time has damaged the fiber structure. The unmodified fibers and glutarylated fibers at different retention times are reinforced with epoxy matrix under room temperature. The tensile strength and flexural strength of the composites are analyzed in detail. Among these, the composite made with glutarylated fiber has shown good mechanical properties when compared to those made of unmodified fiber.

Keywords: flexural properties, glutarylation, glutaric anhydride, tensile properties

Procedia PDF Downloads 192

Authors: Mohammad Fereidoonnezhad, Seán Leen, Stephen Nash, Patrick McGarry

Abstract:

From the perspective of research innovation, the tidal energy industry is still in its early stages. While a very small number of turbines have progressed to utility-scale deployment, blade breakage is commonly reported due to the enormous hydrodynamic loading applied to devices. The aim of this study is the development of computer simulation technologies for the design of next-generation fibre-reinforced composite tidal turbines. This will require significant technical advances in the areas of tidal turbine testing and multi-scale computational modelling. The complex turbine blade profiles are designed to incorporate non-linear distributions of airfoil sections to optimize power output and self-starting capability while reducing power fluctuations. A number of candidate blade geometries are investigated, ranging from spiral geometries to parabolic geometries, with blades arranged in both cylindrical and spherical configurations on a vertical axis turbine. A combined blade element theory (BET-start-up model) is developed in MATLAB to perform computationally efficient parametric design optimisation for a range of turbine blade geometries. Finite element models are developed to identify optimal fibre-reinforced composite designs to increase blade strength and fatigue life. Advanced fluid-structure-interaction models are also carried out to compute blade deflections following design optimisation.

Keywords: tidal turbine, composite materials, fluid-structure-interaction, start-up capability

Procedia PDF Downloads 122

Authors: G. Gokceli, O. Eksik, E. Ozkan Zayim, N. Karatepe

Abstract:

Alternative electrode materials for optoelectronic devices have been widely investigated in recent years. Since indium tin oxide (ITO) is the most preferred transparent conductive electrode, producing ITO films by simple and cost-effective solution-based techniques with enhanced optical and electrical properties has great importance. In this study, single- and multi-walled carbon nanotubes (SWCNT and MWCNT) incorporated into the ITO structure to increase electrical conductivity, mechanical strength, and chemical stability. Carbon nanotubes (CNTs) were firstly functionalized by acid treatment (HNO₃:H₂SO₄), and the thermal resistance of CNTs after functionalization was determined by thermogravimetric analysis (TGA). Thin films were then prepared by spin coating technique and characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), four-point probe measurement system and UV-Vis spectrophotometer. The effects of process parameters were compared for ITO, MWCNT-ITO, and SWCNT-ITO films. Two factors including CNT concentration and annealing temperature were considered. The UV-Vis measurements demonstrated that the transmittance of ITO films was 83.58% at 550 nm, which was decreased depending on the concentration of CNT dopant. On the other hand, both CNT dopants provided an enhancement in the crystalline structure and electrical conductivity. Due to compatible diameter and better dispersibility of SWCNTs in the ITO solution, the best result in terms of electrical conductivity was obtained by SWCNT-ITO films with the 0.1 g/L SWCNT dopant concentration and heat-treatment at 550 °C for 1 hour.

Keywords: CNT incorporation, ITO electrode, spin coating, thin film

Procedia PDF Downloads 115

Authors: Ali Obeydavi, Majid Rahimi

Abstract:

This study explores the synthesis and characterization of Fe-Cr-Mo-Co-C-B-Si thin film metallic glasses fabricated using the pulsed laser deposition (PLD) technique on silicon wafer and 304 stainless steel substrates. it systematically varied the laser pulse numbers (20,000; 30,000; 40,000) and energies (130, 165, 190 mJ) to investigate their effects on the microstructural, mechanical, and corrosion properties of the deposited films. Comprehensive characterization techniques, including grazing incidence X-ray diffraction, field emission scanning electron microscopy, atomic force microscopy, and transmission electron microscopy with selected area electron diffraction, were utilized to assess the amorphous structure and surface morphology. Results indicated that increased pulse numbers and laser energies led to enhanced deposition rates and film thicknesses. Nanoindentation tests demonstrated that the hardness and elastic modulus of the amorphous thin films significantly surpassed those of the 304 stainless steel substrate. Additionally, electrochemical polarization and impedance spectroscopy revealed that the Fe-based metallic glass coatings exhibited superior corrosion resistance compared to the stainless steel substrate. The observed improvements in mechanical and corrosion properties are attributed to the unique amorphous structure achieved through the PLD process, highlighting the potential of these materials for protective coatings in aggressive environments.

Keywords: thin film metallic glasses, pulsed laser deposition, mechanical properties, corrosion resistance

Procedia PDF Downloads 22

Authors: Angel G. De Leon Hernandez

Abstract:

A structure is defined as a physical system or, in certain cases, an arrangement of connected elements, capable of bearing certain loads. The structures are presented in every part of the daily life, e.g., in the designing of buildings, vehicles and mechanisms. The main goal of a structure designer is to develop a secure, aesthetic and maintainable system, considering the constraint imposed to every case. With the advances in the technology during the last decades, the capabilities of solving engineering problems have increased enormously. Nowadays the computers, play a critical roll in the structural analysis, pitifully, for university students the vast majority of these software are inaccessible due to the high complexity and cost they represent, even when the software manufacturers offer student versions. This is exactly the reason why the idea of developing a more reachable and easy-to-use computing tool. This program is designed as a tool for the university students enrolled in courser related to the structures analysis and designs, as a complementary instrument to achieve a better understanding of this area and to avoid all the tedious calculations. Also, the program can be useful for graduated engineers in the field of structural design and analysis. A graphical user interphase is included in the program to make it even simpler to operate it and understand the information requested and the obtained results. In the present document are included the theoretical basics in which the program is based to solve the structural analysis, the logical path followed in order to develop the program, the theoretical results, a discussion about the results and the validation of those results.

Keywords: stiffness matrix method, structural analysis, Matlab® applications, programming

Procedia PDF Downloads 122

Authors: Lubica Muckova, Petr Jost, Jaroslav Pejchal, Daniel Jun

Abstract:

The development of acetylcholinesterase reactivators, i.e. antidotes against organophosphorus poisoning, is an important goal of defence research. The aim of this study was to compare cytotoxicity and chemical structure of 5 currently available (pralidoxime, trimedoxime, obidoxime, methoxime, and asoxime) and 4 newly developed compounds (K027, K074, K075, and K203). In oximes, there could be at least four important structural factors affecting their toxicity, including the number of oxime groups in the molecule, the position of oxime group(s) on pyridinium ring, the length of carbon linker, and the substitution by oxygen or insertion of the double bond into the connection chain. The cytotoxicity of tested substances was measured using colorimetric 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl-tetrazolium bromide assay (MTT assay) in SH-SY5Y cell line. Toxicity was expressed as toxicological index IC₅₀. The tested compounds showed different cytotoxicity ranging from 1.5 to 27 mM. K027 was the least, and methoxime was the most toxic reactivator. The lowest toxicity was found in a monopyridinium reactivator and bispyridinium reactivators with simple 3C carbon linker. Shortening of connection chain length to 1C, incorporation of oxygen moiety into 3C compounds, elongation of carbon linker to 4C and insertion of a double bond into 4C substances increase AChE reactivators' cytotoxicity. Acknowledgements: This work was supported by a long-term organization development plan Medical Aspects of Weapons of Mass Destruction of the Faculty of Military Health Sciences, University of Defence.

Keywords: acetylcholinesterase, cytotoxicity, organophosphorus poisoning, reactivators of acetylcholinesterase

Procedia PDF Downloads 307

Authors: Seyed Hossein Hosseini, Seyed Majid Hashemzadeh

Abstract:

Solar energy is one of the remarkable renewable energy sources that have particular characteristics such as unlimited, no environmental pollution, and free access. Generally, solar energy can be used in thermal and photovoltaic (PV) types. The cost of installation of the PV system is very high. Additionally, due to dependence on environmental situations such as solar radiation and ambient temperature, electrical power generation of this system is unpredictable and without power electronics devices, there is no guarantee to maximum power delivery at the output of this system. Maximum power point tracking (MPPT) should be used to achieve the maximum power of a PV string. MPPT is one of the essential parts of the PV system which without this section, it would be impossible to reach the maximum amount of the PV string power and high losses are caused in the PV system. One of the noticeable challenges in the problem of MPPT is the partial shading conditions (PSC). In PSC, the output photocurrent of the PV module under the shadow is less than the PV string current. The difference between the mentioned currents passes from the module's internal parallel resistance and creates a large negative voltage across shaded modules. This significant negative voltage damages the PV module under the shadow. This condition is called hot-spot phenomenon. An anti-paralleled diode is inserted across the PV module to prevent the happening of this phenomenon. This diode is known as the bypass diode. Due to the performance of the bypass diode under PSC, the P-V curve of the PV string has several peaks. One of the P-V curve peaks that makes the maximum available power is the global peak. Model-based Global MPPT (GMPPT) methods can estimate the optimal point with higher speed than other GMPPT approaches. Centralized, modular, and interleaved DC-DC converter topologies are the significant structures that can be used for GMPPT at a PV string. there are some problems in the centralized structure such as current mismatch losses at PV sting, loss of power of the shaded modules because of bypassing by bypass diodes under PSC, needing to series connection of many PV modules to reach the desired voltage level. In the modular structure, each PV module is connected to a DC-DC converter. In this structure, by increasing the amount of demanded power from the PV string, the number of DC-DC converters that are used at the PV system will increase. As a result, the cost of the modular structure is very high. We can implement the model-based GMPPT through the multi-input interleaved boost DC-DC converter to increase the power extraction from the PV string and reduce hot-spot and current mismatch error in a PV string under different environmental condition and variable load circumstances. The interleaved boost DC-DC converter has many privileges than other mentioned structures, such as high reliability and efficiency, better regulation of DC voltage at DC link, overcome the notable errors such as module's current mismatch and hot spot phenomenon, and power switches voltage stress reduction.

Keywords: solar energy, photovoltaic systems, interleaved boost converter, maximum power point tracking, model-based method, partial shading conditions

Procedia PDF Downloads 130

Authors: Tingwei Shu, Dong Zhou, Chengjun Guo

Abstract:

Semantic communication is an emerging form of communication that realize intelligent communication by extracting semantic information of data at the source and transmitting it, and recovering the data at the receiving end. It can effectively solve the problem of data transmission under the situation of large data volume, low SNR and restricted bandwidth. With the development of Deep Learning, semantic communication further matures and is gradually applied in the fields of the Internet of Things, Uumanned Air Vehicle cluster communication, remote sensing scenarios, etc. We propose an improved semantic communication system for the situation where the data volume is huge and the spectrum resources are limited during the transmission of remote sensing images. At the transmitting, we need to extract the semantic information of remote sensing images, but there are some problems. The traditional semantic communication system based on Convolutional Neural Network cannot take into account the global semantic information and local semantic information of the image, which results in less-than-ideal image recovery at the receiving end. Therefore, we adopt the improved vision-Transformer-based structure as the semantic encoder instead of the mainstream one using CNN to extract the image semantic features. In this paper, we first perform pre-processing operations on remote sensing images to improve the resolution of the images in order to obtain images with more semantic information. We use wavelet transform to decompose the image into high-frequency and low-frequency components, perform bilinear interpolation on the high-frequency components and bicubic interpolation on the low-frequency components, and finally perform wavelet inverse transform to obtain the preprocessed image. We adopt the improved Vision-Transformer structure as the semantic coder to extract and transmit the semantic information of remote sensing images. The Vision-Transformer structure can better train the huge data volume and extract better image semantic features, and adopt the multi-layer self-attention mechanism to better capture the correlation between semantic features and reduce redundant features. Secondly, to improve the coding efficiency, we reduce the quadratic complexity of the self-attentive mechanism itself to linear so as to improve the image data processing speed of the model. We conducted experimental simulations on the RSOD dataset and compared the designed system with a semantic communication system based on CNN and image coding methods such as BGP and JPEG to verify that the method can effectively alleviate the problem of excessive data volume and improve the performance of image data communication.

Keywords: semantic communication, transformer, wavelet transform, data processing

Procedia PDF Downloads 78

Authors: Jyoti Ranjan Sahoo

Abstract:

Communication is a social phenomenon which mediates to our everyday life and it creates, maintains, builds, circulates, and propagates for a common identity the society. The symbolic forms of communication such as aural, sounds, oral expressions, signs, and language as means of communication are being used in everyday life in helping to identify as construction of social reality. These symbolic forms of communication are treated as the social process in everyday life. Therefore, there is an intrinsic relationship between communication and culture to understand media life for village communities. Similarly, the interface of communication with social life is reflected upon it’s formulation of the notions of social structure and culture. It has been observed that there is an overlapping and new phenomenonal change of media life among marginalized communities in general and village communities in particular. Therefore, this paper is an outcome of decadal stock of literature and an empirical investigation on understanding of communication in a tribal village in India. It has examined the idea of American scientist Edward T. Hall “the culture is communication, and the communication is culture” in village society on understanding media life. Thus, the Harold Innis’s theoretical idea of “communication” has been critically examined in these contexts since author tries to explore and understand the inter-disciplinarity on understanding media life through communication and culture which is embedded in socio-cultural life bearing on epistemological and ontological implications. The paper tries to explore and understand the inter-disciplinary and historical trajectories of communication embedded with other social science disciplines; and also tries to map these studies relevant for the future directions and engagement which would have bearing on epistemological and ontological implications in the field of media and communication.

Keywords: culture, communication, history, media, oral, tradition

Procedia PDF Downloads 361

Authors: Balogun R. Ayodeji, Adefisan E. Adesanya, Adeyewa Z. Debo, E. C. Okogbue

Abstract:

Deep convective systems during active periods of the West African monsoon season have not been properly investigated over better temporal and spatial resolution in West Africa. Deep convective systems are investigated over seven climatic zones of the West African sub-region, which are; west-coast rainforest, dry rainforest, Nigeria-Cameroon rainforest, Nigeria savannah, Central African and South Sudan (CASS) Savannah, Sudano-Sahel, and Sahel, using data from Tropical Rainfall Measurement Mission (TRMM) Precipitation Feature (PF) database. The vertical structure of the convective systems indicated by the presence of at least one 40 dBZ and reaching (attaining) at least 1km in the atmosphere showed strong core (highest frequency (%)) of reflectivity values around 2 km which is below the freezing level (4-5km) for all the zones. Echoes are detected above the 15km altitude much more frequently in the rainforest and Savannah zones than the Sudano and Sahel zones during active periods in March-May (MAM), whereas during active periods in June-September (JJAS) the savannahs, Sudano and Sahel zones convections tend to reach higher altitude more frequently than the rainforest zones. The percentage frequencies of deep convection indicated that the occurrences of the systems are within the range of 2.3-2.8% during both March-May (MAM) and June-September (JJAS) active periods in the rainforest and savannah zones. On the contrary, the percentage frequencies were found to be less than 2% in the Sudano and Sahel zones, except during the active-JJAS period in the Sudano zone.

Keywords: active periods, convective system, frequency, reflectivity

Procedia PDF Downloads 152

Authors: Mohammad R. Jalali

Abstract:

Movement of liquid with a free surface in a container is known as slosh. For instance, slosh occurs when water in a closed tank is set in motion by a free surface displacement, or when liquid natural gas in a container is vibrated by an external driving force, such as an earthquake or movement induced by transport. Slosh is also derived from resonant switching of a natural basin. During sloshing, different types of motion are produced by energy exchange between the liquid and its container. In present study, a numerical model is developed to simulate the nonlinear even harmonic oscillations of free surface sloshing of an initial disturbance to the free surface of a liquid in a closed square basin. The response of the liquid free surface is affected by amplitude and motion frequencies of its container; therefore, sloshing involves complex fluid-structure interactions. In the present study, nonlinear interaction of free surface sloshing of an initial Gaussian hump with its uneven container is predicted numerically. For this purpose, Green-Naghdi (GN) equations are applied as governing equation of fluid field to produce nonlinear second-order and higher-order wave interactions. These equations reduce the dimensions from three to two, yielding equations that can be solved efficiently. The GN approach assumes a particular flow kinematic structure in the vertical direction for shallow and deep-water problems. The fluid velocity profile is finite sum of coefficients depending on space and time multiplied by a weighting function. It should be noted that in GN theory, the flow is rotational. In this study, GN numerical simulations of initial Gaussian hump are compared with Fourier series semi-analytical solutions of the linearized shallow water equations. The comparison reveals that satisfactory agreement exists between the numerical simulation and the analytical solution of the overall free surface sloshing patterns. The resonant free surface motions driven by an initial Gaussian disturbance are obtained by Fast Fourier Transform (FFT) of the free surface elevation time history components. Numerically predicted velocity vectors and magnitude contours for the free surface patterns indicate that interaction of Gaussian hump with its container has localized effect. The result of this sloshing is applicable to the design of stable liquefied oil containers in tankers and offshore platforms.

Keywords: fluid-structure interactions, free surface sloshing, Gaussian hump, Green-Naghdi equations, numerical predictions

Procedia PDF Downloads 398

Authors: Raana Babadi Fathipour

Abstract:

Hydrogels are three-dimensional structures formed by the interweaving of polymeric materials, possessing the remarkable ability to imbibe copious amounts of water. Numerous methodologies have been devised for examining and understanding the properties of these synthesized gels. Amongst them, spectroscopic techniques such as ultraviolet/visible (UV/Vis) and Fourier-transform infrared (FTIR) spectroscopy offer a glimpse into molecular and atomic aspects. Additionally, diffraction methods like X-ray diffraction (XRD) enable one to measure crystallinity within the gel's structure, while microscopy tools encompassing scanning electron microscopy (SEM) and transmission electron microscopy (TEM) provide insights into surface texture and morphology. Furthermore, rheology serves as an invaluable tool for unraveling the viscoelastic behavior inherent in hydrogels—a parameter crucial not only to numerous industries, including pharmaceuticals, cosmetics, food processing, agriculture and water treatment, but also pivotal to related fields of research. Likewise, the ultimate configuration of the product is contingent upon its characterization at a microscopic scale in order to comprehend the intricacies of the hydrogel network's structure and interaction dynamics in response to external forces. Within this present scrutiny, our attention has been devoted to unraveling the intricate rheological tendencies exhibited by materials founded on synthetic, natural, and semi-synthetic hydrogels. We also explore their practical utilization within various facets of everyday life from an industrial perspective.

Keywords: rheology, hydrogels characterization, viscoelastic behavior, application

Procedia PDF Downloads 50

Authors: Kohtaroh Miyamoto

Abstract:

As enterprise computing becomes more and more complex, the costs and technical challenges of IT system maintenance and support are increasing rapidly. One popular approach to managing IT system maintenance is to prepare and use an FAQ (Frequently Asked Questions) system to manage and reuse systems knowledge. Such an FAQ system can help reduce the resolution time for each service incident ticket. However, there is a major problem where over time the knowledge in such FAQs tends to become outdated. Much of the knowledge captured in the FAQ requires periodic updates in response to new insights or new trends in the problems addressed in order to maintain its usefulness for problem resolution. These updates require a systematic approach to define the exact portion of the FAQ and its content. Therefore, we are working on a novel method to hierarchically structure the FAQ and automate the updates of its structure and content. We use structured information and the unstructured text information with the timelines of the information in the service incident tickets. We cluster the tickets by structured category information, by keywords, and by keyword modifiers for the unstructured text information. We also calculate an urgency score based on trends, resolution times, and priorities. We carefully studied the tickets of one of our projects over a 2.5-year time period. After the first 6 months, we started to create FAQs and confirmed they improved the resolution times. We continued observing over the next 2 years to assess the ongoing effectiveness of our method for the automatic FAQ updates. We improved the ratio of tickets covered by the FAQ from 32.3% to 68.9% during this time. Also, the average time reduction of ticket resolution was between 31.6% and 43.9%. Subjective analysis showed more than 75% reported that the FAQ system was useful in reducing ticket resolution times.

Keywords: FAQ system, resolution time, service incident tickets, IT system maintenance

Procedia PDF Downloads 338

Authors: Sara Khamseh, Elahe Sharifi

Abstract:

321 alloy steel is austenitic stainless steel with high oxidation resistance and is commonly used to fabricate heat exchangers and steam generators. However, the low hardness and weak tribological performance can cause dangerous failures during industrial operations. The well-designed protective coatings on 321 alloy steel surfaces with high hardness and good tribological performance can guarantee their safe applications. The surface protection of metal substrates using protective coatings showed high efficiency in prevailing these problems. Carbon-based multicomponent coatings, such as metal-added amorphous carbon coatings, are crucially necessary because of their remarkable mechanical and tribological performances. In the current study, (Nb: Si: a-C) multicomponent coatings (a-C: amorphous carbon) were coated on 321 alloys using a balanced magnetron (BM) sputtering system at room temperature. The effects of the Si/Nb ratio on microstructure, mechanical and tribological characteristics of (Nb: Si: a-C) composite coatings were investigated. The XRD and Raman analysis results showed that the coatings formed a composite structure of cubic diamond (C-D), NbC, and graphite-like carbon (GLC). The NbC phase's abundance decreased when the C-D phase's affluence increased with an increasing Si/Nb ratio. The coatings' indentation hardness and plasticity index (H³/E² ratio) increased with an increasing Si/Nb ratio. The better mechanical properties of the coatings with higher Si content can be attributed to the higher cubic diamond (C-D) content. The cubic diamond (C-D) is a challenging phase and can positively affect the mechanical performance of the coatings. It is well documented that in hard protective coatings, Si encourages amorphization. In addition, THE studies showed that Nb and Mo can act as a catalyst for nucleation and growth of hard cubic (C-D) and hexagonal (H-D) diamond phases in a-C coatings. In the current study, it seems that fully arranged nanocomposite coatings contain hard C-D and NbC phases that embedded in the amorphous carbon (GLC) phase is formed. This unique structure decreased grain boundary density and defects and resulted in high hardness and H³/E² ratio. Moreover, the COF and wear rate of the coatings decreased with increasing Si/Nb ratio. This can be attributed to the good mechanical properties of the coatings and the formation of graphite-like carbon (GLC) structure with lamellae arrangement in the coatings. The complex and self-lubricant coatings are successfully formed on the surface of 321 alloys. The results of the present study clarified that Si addition to (Nb: a-C) coatings improve the mechanical and tribological performance of the coatings on 321 alloy.

Keywords: COF, mechanical properties, microstructure, (Nb: Si: a-C) coatings, Wear rate

Procedia PDF Downloads 90

Authors: Mohamed Malek Khenissi, Mohamed Montassar Ben Slama, Anis Belhaj Mohamed, Moncef Saidi

Abstract:

Northern Tunisia is well known by its different and complex structural and geological zones that have been the result of a geodynamic history that extends from the early Mesozoic era to the actual period. One of these zones is the salt province, where the Halokinesis process is manifested by a number of NE/SW salt structures such as Jebel Ech-Cheid which represents masses of materials characterized by a high plasticity and low density. The salt masses extrusions that have been developed due to an extension that started from the late Triassic to late Cretaceous. The evolution of salt bodies within sedimentary basins have not only contributed to modify the architecture of the basin, but it also has certain geochemical effects which touch mainly source rocks that surround it. It has been demonstrated that the presence of salt structures within sedimentary basins can influence its temperature distribution and thermal history. Moreover, it has been creating heat flux anomalies that may affect the maturity of organic matter and the timing of hydrocarbon generation. Field samples of the Bahloul source rock (Cenomanan-Tunonian) were collected from different sights from all around Ech Cheid salt structure and evaluated using Rock-eval pyrolysis and GC/MS techniques in order to assess the degree of maturity evolution and the heat flux anomalies in the different zones analyze. The Total organic Carbon (TOC) values range between 1 to 9% and the (Tmax) ranges between 424 and 445°C, also the distribution of the source rock biomarkers both saturated and aromatic changes in a regular fashions with increasing maturity and this are shown in the chromatography results such as Ts/(Ts+Tm) ratios, 22S/(22S+22R) values for C31 homohopanes, ββ/(ββ+αα)20R and 20S/(20S+20R) ratios for C29 steranes which gives a consistent maturity indications and assessment of the field samples. These analyses are carried to interpret the maturity evolution and the heat flux around Ech Cheid salt structure through the geological history. These analyses also aim to demonstrate that the salt structure can have a direct effect on the geothermal gradient of the basin and on the maturity of the Bahloul Formation source rock. The organic matter has reached different stages of thermal maturity, but delineate a general increasing maturity trend. Our study confirms that the J. Ech Cheid salt body have on the first hand: a huge influence on the local distribution of anoxic depocentre at least within Cenomanian-Turonian time. In the second hand, the thermal anomaly near the salt mass has affected the maturity of Bahloul Formation.

Keywords: Bahloul formation, depocentre, GC/MS, rock-eval

Procedia PDF Downloads 240

Authors: Sujata Sharma, Avinash Singh, Lovely Gautam, Pradeep Sharma, Mau Sinha, Asha Bhushan, Punit Kaur, Tej P. Singh

Abstract:

Peptidyl-tRNA hydrolase (Pth) Pth is an essential bacterial enzyme that catalyzes the release of free tRNA and peptide moeities from peptidyl tRNAs during stalling of protein synthesis. In order to design inhibitors of Pth from Pseudomonas aeruginosa (PaPth), we have determined the structures of PaPth in its native state and in the bound states with two compounds, amino acylate-tRNA analogue (AAtA) and 5-azacytidine (AZAC). The peptidyl-tRNA hydrolase gene from Pseudomonas aeruginosa was amplified by Phusion High-Fidelity DNA Polymerase using forward and reverse primers, respectively. The E. coliBL21 (λDE3) strain was used for expression of the recombinant peptidyl-tRNA hydrolase from Pseudomonas aeruginosa. The protein was purified using a Ni-NTA superflow column. The crystallization experiments were carried out using hanging drop vapour diffusion method. The crystals diffracted to 1.50 Å resolution. The data were processed using HKL-2000. The polypeptide chain of PaPth consists of 194 amino acid residues from Met1 to Ala194. The centrally located β-structure is surrounded by α-helices from all sides except the side that has entrance to the substrate binding site. The structures of the complexes of PaPth with AAtA and AZAC showed the ligands bound to PaPth in the substrate binding cleft and interacted with protein atoms extensively. The residues that formed intermolecular hydrogen bonds with the atoms of AAtA included Asn12, His22, Asn70, Gly113, Asn116, Ser148, and Glu161 of the symmetry related molecule. The amino acids that were involved in hydrogen bonded interactions in case of AZAC included, His22, Gly113, Asn116, and Ser148. As indicated by fittings of two ligands and the number of interactions made by them with protein atoms, AAtA appears to be a more compatible with the structure of the substrate binding cleft. However, there is a further scope to achieve a better stacking than that of O-tyrosyl moiety because it is not still ideally stacked. These observations about the interactions between the protein and ligands have provided the information about the mode of binding of ligands, nature and number of interactions. This information may be useful for the design of tight inhibitors of Pth enzymes.

Keywords: peptidyl tRNA hydrolase, Acinetobacter baumannii, Pth enzymes, O-tyrosyl

Procedia PDF Downloads 430