Search results for: structural applications
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 10156

Search results for: structural applications

7696 Influence of Geometry on Performance of Type-4 Filament Wound Composite Cylinder for Compressed Gas Storage

Authors: Pranjali Sharma, Swati Neogi

Abstract:

Composite pressure vessels are low weight structures mainly used in a variety of applications such as automobiles, aeronautics and chemical engineering. Fiber reinforced polymer (FRP) composite materials offer the simplicity of design and use, high fuel storage capacity, rapid refueling capability, excellent shelf life, minimal infrastructure impact, high safety due to the inherent strength of the pressure vessel, and little to no development risk. Apart from these preliminary merits, the subsidized weight of composite vessels over metallic cylinders act as the biggest asset to the automotive industry, increasing the fuel efficiency. The result is a lightweight, flexible, non-explosive, and non-fragmenting pressure vessel that can be tailor-made to attune with specific applications. The winding pattern of the composite over-wrap is a primary focus while designing a pressure vessel. The critical stresses in the system depend on the thickness, angle and sequence of the composite layers. The composite over-wrap is wound over a plastic liner, whose geometry can be varied for the ease of winding. In the present study, we aim to optimize the FRP vessel geometry that provides an ease in winding and also aids in weight reduction for enhancing the vessel performance. Finite element analysis is used to study the effect of dome geometry, yielding a design with maximum value of burst pressure and least value of vessel weight. The stress and strain analysis of different dome ends along with the cylindrical portion is carried out in ANSYS 19.2. The failure is predicted using different failure theories like Tsai-Wu theory, Tsai-Hill theory and Maximum stress theory. Corresponding to a given winding sequence, the optimum dome geometry is determined for a fixed internal pressure to identify the theoretical value of burst pressure. Finally, this geometry is used to decrease the number of layers to reach the set value of safety in accordance with the available safety standards. This results in decrease in the weight of the composite over-wrap and manufacturing cost of the pressure vessel. An improvement in the overall weight performance of the pressure vessel gives higher fuel efficiency for its use in automobile applications.

Keywords: Compressed Gas Storage, Dome geometry, Theoretical Analysis, Type-4 Composite Pressure Vessel, Improvement in Vessel Weight Performance

Procedia PDF Downloads 147
7695 Modelling and Simulation of Aero-Elastic Vibrations Using System Dynamic Approach

Authors: Cosmas Pandit Pagwiwoko, Ammar Khaled Abdelaziz Abdelsamia

Abstract:

Flutter as a phenomenon of flow-induced and self-excited vibration has to be recognized considering its harmful effect on the structure especially in a stage of aircraft design. This phenomenon is also important for a wind energy harvester based on the fluttering surface due to its effective operational velocity range. This multi-physics occurrence can be presented by two governing equations in both fluid and structure simultaneously in respecting certain boundary conditions on the surface of the body. In this work, the equations are resolved separately by two distinct solvers, one-time step of each domain. The modelling and simulation of this flow-structure interaction in ANSYS show the effectiveness of this loosely coupled method in representing flutter phenomenon however the process is time-consuming for design purposes. Therefore, another technique using the same weak coupled aero-structure is proposed by using system dynamics approach. In this technique, the aerodynamic forces were calculated using singularity function for a range of frequencies and certain natural mode shapes are transformed into time domain by employing an approximation model of fraction rational function in Laplace variable. The representation of structure in a multi-degree-of-freedom coupled with a transfer function of aerodynamic forces can then be simulated in time domain on a block-diagram platform such as Simulink MATLAB. The dynamic response of flutter at certain velocity can be evaluated with another established flutter calculation in frequency domain k-method. In this method, a parameter of artificial structural damping is inserted in the equation of motion to assure the energy balance of flow and vibrating structure. The simulation in time domain is particularly interested as it enables to apply the structural non-linear factors accurately. Experimental tests on a fluttering airfoil in the wind tunnel are also conducted to validate the method.

Keywords: flutter, flow-induced vibration, flow-structure interaction, non-linear structure

Procedia PDF Downloads 315
7694 Turmeric Mediated Synthesis and Characterization of Cerium Oxide Nanoparticles

Authors: Nithin Krisshna Gunasekaran, Prathima Prabhu Tumkur, Nicole Nazario Bayon, Krishnan Prabhakaran, Joseph C. Hall, Govindarajan T. Ramesh

Abstract:

Cerium oxide and turmeric have antioxidant properties, which have gained interest among researchers to study their applications in the field of biomedicine, such asanti-inflammatory, anticancer, and antimicrobial applications. In this study, the turmeric extract was prepared and mixed with cerium nitrate hexahydrate, stirred continuously to obtain a homogeneous solution and then heated on a hot plate to get the supernatant evaporated, then calcinated at 600°C to obtain the cerium oxide nanoparticles. Characterization of synthesized cerium oxide nanoparticles through Scanning Electron Microscopy determined the particle size to be in the range of 70 nm to 250 nm. Energy Dispersive X-Ray Spectroscopy determined the elemental composition of cerium and oxygen. Individual particles were identified through the characterization of cerium oxide nanoparticles using Field Emission Scanning Electron Microscopy, in which the particles were determined to be spherical and in the size of around 70 nm. The presence of cerium oxide was assured by analyzing the spectrum obtained through the characterization of cerium oxide nanoparticles by Fourier Transform Infrared Spectroscopy. The crystal structure of cerium oxide nanoparticles was determined to be face-centered cubic by analyzing the peaks obtained through theX-Ray Diffraction method. The crystal size of cerium oxide nanoparticles was determined to be around 13 nm by using the Debye Scherer equation. This study confirmed the synthesis of cerium oxide nanoparticles using turmeric extract.

Keywords: antioxidant, characterization, cerium oxide, synthesis, turmeric

Procedia PDF Downloads 167
7693 Finite Element Modelling of a 3D Woven Composite for Automotive Applications

Authors: Ahmad R. Zamani, Luigi Sanguigno, Angelo R. Maligno

Abstract:

A 3D woven composite, designed for automotive applications, is studied using Abaqus Finite Element (FE) software suite. Python scripts were developed to build FE models of the woven composite in Complete Abaqus Environment (CAE). They can read TexGen or WiseTex files and automatically generate consistent meshes of the fabric and the matrix. A user menu is provided to help define parameters for the FE models, such as type and size of the elements in fabric and matrix as well as the type of matrix-fabric interaction. Node-to-node constraints were imposed to guarantee periodicity of the deformed shapes at the boundaries of the representative volume element of the composite. Tensile loads in three axes and biaxial loads in x-y directions have been applied at different Fibre Volume Fractions (FVFs). A simple damage model was implemented via an Abaqus user material (UMAT) subroutine. Existing tools for homogenization were also used, including voxel mesh generation from TexGen as well as Abaqus Micromechanics plugin. Linear relations between homogenised elastic properties and the FVFs are given. The FE models of composite exhibited balanced behaviour with respect to warp and weft directions in terms of both stiffness and strength.

Keywords: 3D woven composite (3DWC), meso-scale finite element model, homogenisation of elastic material properties, Abaqus Python scripting

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7692 Readiness of Estonian Working and Non-working Older Adults to Benefit from eHealth

Authors: Marianne Paimre

Abstract:

Estonia is heralded as the most successful digital country in the world with the highly acclaimed eHealth system. Yet 40% of the 65–74-year-olds do not use the Internet at all, and digital divide between young and elderly people's use of ICT is larger than in many advanced countries. Poor access to ICT resource and insufficient digital skills can lead to detachment from digital health resources, delayed diagnoses, and increased rates of hospitalization. To reveal digital divide within the elderly population itself, the presentation focuses on the health information behavior of Estonian seniors who either continue or have stopped working after retirement to use digital health applications. The author's main interest is on access, trust, and skills to use the Internet for medical purposes. Fifteen in-depth interviews with 65+ working persons, as well as 15 interviews with full-time retirees, were conducted. Also, six think-aloud protocols were conducted. The results indicate that older adults, who due to the nature of their work, have regular access to computers, often search for health-related information online. They exposed high source criticism and were successful in solving the given tasks. Conversely, most of the fully retired older adults claimed not using computers or other digital devices and cited lack of skills as the main reason for their inactivity. Thus, when developing health applications, it should be borne in mind that the ability and willingness of older adults to use e-solutions are very different.

Keywords: digital divide, digital healthcare, health information behavior, older adults

Procedia PDF Downloads 153
7691 Gene Expression and Staining Agents: Exploring the Factors That Influence the Electrophoretic Properties of Fluorescent Proteins

Authors: Elif Tugce Aksun Tumerkan, Chris Lowe, Hannah Krupa

Abstract:

Fluorescent proteins are self-sufficient in forming chromophores with a visible wavelength from 3 amino acids sequence within their own polypeptide structure. This chromophore – a molecule that absorbs a photon of light and exhibits an energy transition equal to the energy of the absorbed photon. Fluorescent proteins (FPs) consisted of a chain of 238 amino acid residues and composed of 11 beta strands shaped in a cylinder surrounding an alpha helix structure. A better understanding of the system of the chromospheres and the increasing advance in protein engineering in recent years, the properties of FPs offers the potential for new applications. They have used sensors and probes in molecular biology and cell-based research that giving a chance to observe these FPs tagged cell localization, structural variation and movement. For clarifying functional uses of fluorescent proteins, electrophoretic properties of these proteins are one of the most important parameters. Sodium dodecyl sulphate polyacrylamide gel electrophoresis (SDS-PAGE) analysis is used for determining electrophoretic properties commonly. While there are many techniques are used for determining the functionality of protein-based research, SDS-PAGE analysis can only provide a molecular level assessment of the proteolytic fragments. Before SDS-PAGE analysis, fluorescent proteins need to successfully purified. Due to directly purification of the target, FPs is difficult from the animal, gene expression is commonly used which must be done by transformation with the plasmid. Furthermore, used gel within electrophoresis and staining agents properties have a key role. In this review, the different factors that have the impact on the electrophoretic properties of fluorescent proteins explored. Fluorescent protein separation and purification are the essential steps before electrophoresis that should be done very carefully. For protein purification, gene expression process and following steps have a significant function. For successful gene expression, the properties of selected bacteria for expression, used plasmid are essential. Each bacteria has own characteristics which are very sensitive to gene expression, also used procedure is the important factor for fluorescent protein expression. Another important factors are gel formula and used staining agents. Gel formula has an effect on the specific proteins mobilization and staining with correct agents is a key step for visualization of electrophoretic bands of protein. Visuality of proteins can be changed depending on staining reagents. Apparently, this review has emphasized that gene expression and purification have a stronger effect than electrophoresis protocol and staining agents.

Keywords: cell biology, gene expression, staining agents, SDS-page

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7690 Additive Carbon Dots Nanocrystals for Enhancement of the Efficiency of Dye-Sensitized Solar Cell in Energy Applications Technology

Authors: Getachew Kuma Watiro

Abstract:

The need for solar energy is constantly increasing and it is widely available on the earth’s surface. Photovoltaic technology is one of the most capable of all viable energy technology and is seen as a promising approach to the control era as it is readily available and has zero carbon emissions. Inexpensive and versatile solar cells have achieved the conversion efficiency and long life of dye-sensitized solar cells, improving the conversion efficiency from the sun to electricity. DSSCs have received a lot of attention for Various potential commercial uses, such as mobile devices and portable electronic devices, as well as integrated solar cell modules. The systematic reviews were used to show the critical impact of additive C-dots in the Dye-Sensitized solar cell for energy application technology. This research focuses on the following methods to synthesize nanoparticles such as facile, polyol, calcination, and hydrothermal technique. In addition to these, there are additives C-dots by the Hydrothermal method. This study deals with the progressive development of DSSC in photovoltaic technology. The applications of single and heterojunction structure technology devices were used (ZnO, NiO, SnO2, and NiO/ZnO/N719) and applied some additives C-dots (ZnO/C-dots /N719, NiO/C-dots /N719, SnO2 /C-dots /N719 and NiO/ZnO/C-dots/N719) and the effects of C-dots were reviewed. More than all, the technology of DSSC with C-dots enhances efficiency. Finally, recommendations have been made for future research on the application of DSSC with the use of these additives.

Keywords: dye-sensitized solar cells, heterojunction’s structure, carbon dot, conversion efficiency

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7689 Sensor Network Structural Integration for Shape Reconstruction of Morphing Trailing Edge

Authors: M. Ciminello, I. Dimino, S. Ameduri, A. Concilio

Abstract:

Improving aircraft's efficiency is one of the key elements of Aeronautics. Modern aircraft possess many advanced functions, such as good transportation capability, high Mach number, high flight altitude, and increasing rate of climb. However, no aircraft has a possibility to reach all of this optimized performance in a single airframe configuration. The aircraft aerodynamic efficiency varies considerably depending on the specific mission and on environmental conditions within which the aircraft must operate. Structures that morph their shape in response to their surroundings may at first seem like the stuff of science fiction, but take a look at nature and lots of examples of plants and animals that adapt to their environment would arise. In order to ensure both the controllable and the static robustness of such complex structural systems, a monitoring network is aimed at verifying the effectiveness of the given control commands together with the elastic response. In order to achieve this kind of information, the use of FBG sensors network is, in this project, proposed. The sensor network is able to measure morphing structures shape which may show large, global displacements due to non-standard architectures and materials adopted. Chord -wise variations may allow setting and chasing the best layout as a function of the particular and transforming reference state, always targeting best aerodynamic performance. The reason why an optical sensor solution has been selected is that while keeping a few of the contraindication of the classical systems (like cabling, continuous deployment, and so on), fibre optic sensors may lead to a dramatic reduction of the wires mass and weight thanks to an extreme multiplexing capability. Furthermore, the use of the ‘light’ as ‘information carrier’, permits dealing with nimbler, non-shielded wires, and avoids any kind of interference with the on-board instrumentation. The FBG-based transducers, herein presented, aim at monitoring the actual shape of adaptive trailing edge. Compared to conventional systems, these transducers allow more fail-safe measurements, by taking advantage of a supporting structure, hosting FBG, whose properties may be tailored depending on the architectural requirements and structural constraints, acting as strain modulator. The direct strain may, in fact, be difficult because of the large deformations occurring in morphing elements. A modulation transducer is then necessary to keep the measured strain inside the allowed range. In this application, chord-wise transducer device is a cantilevered beam sliding trough the spars and copying the camber line of the ATE ribs. FBG sensors array position are dimensioned and integrated along the path. A theoretical model describing the system behavior is implemented. To validate the design, experiments are then carried out with the purpose of estimating the functions between rib rotation and measured strain.

Keywords: fiber optic sensor, morphing structures, strain sensor, shape reconstruction

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7688 Experimental Setup of Corona Discharge on Dye Degradation for Science Education

Authors: Shivam Dubey, Vinit Srivastava, Abhay Singh Thakur, Rahul Vaish

Abstract:

The presence of organic dyes in water is a critical issue that poses a significant threat to the environment and human health. We have investigated the use of corona discharge as a potential method for degrading organic dyes in water. Methylene Blue dye was exposed to corona discharge, and its photo-absorbance was measured over time to determine the extent of degradation. The results depicted a decreased absorbance for the dye and the loss of the characteristic colour of methylene blue. The effects of various parameters, including current, voltage, gas phase, salinity, and electrode spacing, on the reaction rates, were investigated. The highest reaction rates were observed at the highest current and voltage (up to 10kV), lowest salinity, smallest electrode spacing, and an environment containing enhanced levels of oxygen. These findings have possible applications for science education curriculum. By investigating the use of corona discharge for destroying organic dyes, we can provide students with a practical application of scientific principles that they can apply to real-world problems. This research can demonstrate the importance of understanding the chemical and physical properties of organic dyes and the effects of corona discharge on their degradation and provide a holistic understanding of the applications of scientific research. Moreover, our study also emphasizes the importance of considering the various parameters that can affect reaction rates. By investigating the effects of current, voltage, matter phase, salinity, and electrode spacing, we can provide students with an opportunity to learn about the importance of experimental design and how to evade constraints that can limit meaningful results. In conclusion, this study has the potential to provide valuable insights into the use of corona discharge for destroying organic dyes in water and has significant implications for science education. By highlighting the practical applications of scientific principles, experimental design, and the importance of considering various parameters, this research can help students develop critical thinking skills and prepare them for future careers in science and engineering.

Keywords: dye degradation, corona discharge, science education, hands-on learning, chemical education

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7687 3D Steady and Transient Centrifugal Pump Flow within Ansys CFX and OpenFOAM

Authors: Clement Leroy, Guillaume Boitel

Abstract:

This paper presents a comparative benchmarking review of a steady and transient three-dimensional (3D) flow computations in centrifugal pump using commercial (AnsysCFX) and open source (OpenFOAM) computational fluid dynamics (CFD) software. In centrifugal rotor-dynamic pump, the fluid enters in the impeller along to the rotating axis to be accelerated in order to increase the pressure, flowing radially outward into another stage, vaned diffuser or volute casing, from where it finally exits into a downstream pipe. Simulations are carried out at the best efficiency point (BEP) and part load, for single-phase flow with several turbulence models. The results are compared with overall performance report from experimental data. The use of CFD technology in industry is still limited by the high computational costs, and even more by the high cost of commercial CFD software and high-performance computing (HPC) licenses. The main objectives of the present study are to define OpenFOAM methodology for high-quality 3D steady and transient turbomachinery CFD simulation to conduct a thorough time-accurate performance analysis. On the other hand a detailed comparisons between computational methods, features on latest Ansys release 18 and OpenFOAM is investigated to assess the accuracy and industrial applications of those solvers. Finally an automated connected workflow (IoT) for turbine blade applications is presented.

Keywords: benchmarking, CFX, internet of things, openFOAM, time-accurate, turbomachinery

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7686 Swastika Shape Multiband Patch Antenna for Wireless Applications on Low Cost Substrate

Authors: Md. Samsuzzaman, M. T. Islam, J. S. Mandeep, N. Misran

Abstract:

In this article, a compact simple structure modified Swastika shape patch multiband antenna on a substrate of available low cost polymer resin composite material is designed for Wi-Fi and WiMAX applications. The substrate material consists of an epoxy matrix reinforced by woven glass. The designed micro-strip line fed compact antenna comprises of a planar wide square slot ground with four slits and Swastika shape radiation patch with a rectangular slot. The effect of the different substrate materials on the reflection coefficients of the proposed antennas was also analyzed. It can be clearly seen that the proposed antenna provides a wider bandwidth and acceptable return loss value compared to other reported materials. The simulation results exhibits that the antenna has an impedance bandwidth with -10 dB return loss at 3.01-3.89 GHz and 4.88-6.10 GHz which can cover both the WLAN, WiMAX and public safety WLAN bands. The proposed swastika shape antenna was designed and analyzed by using a finite element method based simulator HFSS and designed on a low cost FR4 (polymer resin composite material) printed circuit board. The electrical performances and superior frequency characteristics make the proposed material antenna desirable for wireless communications.

Keywords: epoxy resin polymer, multiband, swastika shaped, wide slot, WLAN/WiMAX

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7685 Manufacturing and Characterization of Bioresorbable Self-Reinforced PLA Composites for Bone Applications

Authors: Carolina Pereira Lobato Costa, Cristina Pascual-González, Monica Echeverry, Javier LLorca, Carlos Gonzáléz, Juan Pedro Fernández-Bláquez

Abstract:

Although the potential of PLA self-reinforced composites for bone applications, not much literature addresses optimal manufacturing conditions. In this regard, this paper describes the woven self-reinforced PLA composites manufacturing processes: the commingling of yarns, weaving, and hot pressing and characterizes the manufactured laminates. Different structures and properties can be achieved by varying the hot compaction process parameters (pressure, holding time, and temperature). The specimens manufactured were characterized in terms of thermal properties (DSC), microstructure (C-scan optical microscope and SEM), strength (tensile test), and biocompatibility (MTT assays). Considering the final device, 155 ℃ for 10 min at 2 MPa act as the more appropriate hot pressing parameters. The laminate produced with these conditions has few voids/porosity, a tensile strength of 30.39 ± 1.21 MPa, and a modulus of 4.09 ± 0.24 GPa. Subsequently to the tensile testing was possible to observe fiber pullout from the fracture surfaces, confirming that this material behaves as a composite. From the results, no single laminate can fulfill all the requirements, being necessary to compromise in function of the priority property. Further investigation is required to improve materials' mechanical performance. Subsequently, process parameters and materials configuration can be adjusted depending on the place and type of implant to suit its function.

Keywords: woven fabric, self-reinforced polymer composite, poly(lactic acid), biodegradable

Procedia PDF Downloads 195
7684 Development of Ecofriendly Ionic Liquid Modified Reverse Phase Liquid Chromatography Method for Simultaneous Determination of Anti-Hyperlipidemic Drugs

Authors: Hassan M. Albishri, Fatimah Al-Shehri, Deia Abd El-Hady

Abstract:

Among the analytical techniques, reverse phase liquid chromatography (RPLC) is currently used in pharmaceutical industry. Ecofriendly analytical chemistry offers the advantages of decreasing the environmental impact with the advantage of increasing operator safety which constituted a topic of industrial interest. Recently, ionic liquids have been successfully used to reduce or eliminate the conventional organic toxic solvents. In the current work, a simple and ecofriendly ionic liquid modified RPLC (IL-RPLC) method has been firstly developed and compared with RPLC under acidic and neutral mobile phase conditions for simultaneous determination of atorvastatin-calcium, rosuvastatin and simvastatin. Several chromatographic effective parameters have been changed in a systematic way. Adequate results have been achieved by mixing ILs with ethanol as a mobile phase under neutral conditions at 1 mL/min flow rate on C18 column. The developed IL-RPLC method has been validated for the quantitative determination of drugs in pharmaceutical formulations. The method showed excellent linearity for analytes in a wide range of concentrations with acceptable precise and accurate data. The current IL-RPLC technique could have vast applications particularly under neutral conditions for simple and greener (bio)analytical applications of pharmaceuticals.

Keywords: ionic liquid, RPLC, anti-hyperlipidemic drugs, ecofriendly

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7683 Fluorescence Quenching as an Efficient Tool for Sensing Application: Study on the Fluorescence Quenching of Naphthalimide Dye by Graphene Oxide

Authors: Sanaz Seraj, Shohre Rouhani

Abstract:

Recently, graphene has gained much attention because of its unique optical, mechanical, electrical, and thermal properties. Graphene has been used as a key material in the technological applications in various areas such as sensors, drug delivery, super capacitors, transparent conductor, and solar cell. It has a superior quenching efficiency for various fluorophores. Based on these unique properties, the optical sensors with graphene materials as the energy acceptors have demonstrated great success in recent years. During quenching, the emission of a fluorophore is perturbed by a quencher which can be a substrate or biomolecule, and due to this phenomenon, fluorophore-quencher has been used for selective detection of target molecules. Among fluorescence dyes, 1,8-naphthalimide is well known for its typical intramolecular charge transfer (ICT) and photo-induced charge transfer (PET) fluorophore, strong absorption and emission in the visible region, high photo stability, and large Stokes shift. Derivatives of 1,8-naphthalimides have found applications in some areas, especially fluorescence sensors. Herein, the fluorescence quenching of graphene oxide has been carried out on a naphthalimide dye as a fluorescent probe model. The quenching ability of graphene oxide on naphthalimide dye was studied by UV-VIS and fluorescence spectroscopy. This study showed that graphene is an efficient quencher for fluorescent dyes. Therefore, it can be used as a suitable candidate sensing platform. To the best of our knowledge, studies on the quenching and absorption of naphthalimide dyes by graphene oxide are rare.

Keywords: fluorescence, graphene oxide, naphthalimide dye, quenching

Procedia PDF Downloads 591
7682 A Damage-Plasticity Concrete Model for Damage Modeling of Reinforced Concrete Structures

Authors: Thanh N. Do

Abstract:

This paper addresses the modeling of two critical behaviors of concrete material in reinforced concrete components: (1) the increase in strength and ductility due to confining stresses from surrounding transverse steel reinforcements, and (2) the progressive deterioration in strength and stiffness due to high strain and/or cyclic loading. To improve the state-of-the-art, the author presents a new 3D constitutive model of concrete material based on plasticity and continuum damage mechanics theory to simulate both the confinement effect and the strength deterioration in reinforced concrete components. The model defines a yield function of the stress invariants and a compressive damage threshold based on the level of confining stresses to automatically capture the increase in strength and ductility when subjected to high compressive stresses. The model introduces two damage variables to describe the strength and stiffness deterioration under tensile and compressive stress states. The damage formulation characterizes well the degrading behavior of concrete material, including the nonsymmetric strength softening in tension and compression, as well as the progressive strength and stiffness degradation under primary and follower load cycles. The proposed damage model is implemented in a general purpose finite element analysis program allowing an extensive set of numerical simulations to assess its ability to capture the confinement effect and the degradation of the load-carrying capacity and stiffness of structural elements. It is validated against a collection of experimental data of the hysteretic behavior of reinforced concrete columns and shear walls under different load histories. These correlation studies demonstrate the ability of the model to describe vastly different hysteretic behaviors with a relatively consistent set of parameters. The model shows excellent consistency in response determination with very good accuracy. Its numerical robustness and computational efficiency are also very good and will be further assessed with large-scale simulations of structural systems.

Keywords: concrete, damage-plasticity, shear wall, confinement

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7681 Mediating Role of Experiential Value Added by the Sales Force

Authors: Said Echchakoui

Abstract:

This paper aims to investigate how experiential value added by the salesperson mediates the relationship between perceived salesperson source characteristics and his performance. Structural equation modelling was employed to assess the proposed research model empirically. The empirical results revealed that the three dimensions of experiential value economic benefit, service productivity and enjoyable interaction, mediated the relationship between perceived salesperson source characteristics and his performance. Managerial implications are addressed.

Keywords: sales force, experiential added value, customer perceived value, performance

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7680 Free-Standing Pd-Based Metallic Glass Membranes for MEMS Applications

Authors: Wei-Shan Wang, Klaus Vogel, Felix Gabler, Maik Wiemer, Thomas Gessner

Abstract:

Metallic glasses, which are free of grain boundaries, have superior properties including large elastic limits, high strength, and excellent wear and corrosion resistance. Therefore, bulk metallic glasses (BMG) and thin film metallic glasses (TFMG) have been widely developed and investigated. Among various kinds of metallic glasses, Pd-Cu-Si TFMG, which has lower elastic modulus and better resistance of oxidation and corrosions compared to Zr- and Fe-based TFMGs, can be a promising candidate for MEMS applications. However, the study of Pd-TFMG membrane is still limited. This paper presents free-standing Pd-based metallic glass membranes with large area fabricated on wafer level for the first time. Properties of Pd-Cu-Si thin film metallic glass (TFMG) with various deposition parameters are investigated first. When deposited at 25°C, compressive stress occurs in the Pd76Cu6Si18 thin film regardless of Ar pressure. When substrate temperature is increased to 275°C, the stress state changes from compressive to tensile. Thin film stresses are slightly decreased when Ar pressure is higher. To show the influence of temperature on Pd-TFMGs, thin films without and with post annealing below (275°C) and within (370°C) supercooled liquid region are investigated. Results of XRD and TEM analysis indicate that Pd-TFMGs remain amorphous structure with well-controlled parameters. After verification of amorphous structure of the Pd-TFMGs, free-standing Pd-Cu-Si membranes were fabricated by depositing Pd-Cu-Si thin films directly on 200nm-thick silicon nitride membranes, followed by post annealing and dry etching of silicon nitride layer. Post annealing before SiNx removal is used to further release internal stress of Pd-TFMGs. The edge length of the square membrane ranges from 5 to 8mm. The effect of post annealing on Pd-Cu-Si membranes are discussed as well. With annealing at 370°C for 5 min, Pd-MG membranes are fully distortion-free after removal of SiNx layer. Results show that, by introducing annealing process, the stress-relief, distortion-free Pd-TFMG membranes with large area can be a promising candidate for sensing applications such as pressure and gas sensors.

Keywords: amorphous alloy, annealing, metallic glasses, TFMG membrane

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7679 Safe and Efficient Deep Reinforcement Learning Control Model: A Hydroponics Case Study

Authors: Almutasim Billa A. Alanazi, Hal S. Tharp

Abstract:

Safe performance and efficient energy consumption are essential factors for designing a control system. This paper presents a reinforcement learning (RL) model that can be applied to control applications to improve safety and reduce energy consumption. As hardware constraints and environmental disturbances are imprecise and unpredictable, conventional control methods may not always be effective in optimizing control designs. However, RL has demonstrated its value in several artificial intelligence (AI) applications, especially in the field of control systems. The proposed model intelligently monitors a system's success by observing the rewards from the environment, with positive rewards counting as a success when the controlled reference is within the desired operating zone. Thus, the model can determine whether the system is safe to continue operating based on the designer/user specifications, which can be adjusted as needed. Additionally, the controller keeps track of energy consumption to improve energy efficiency by enabling the idle mode when the controlled reference is within the desired operating zone, thus reducing the system energy consumption during the controlling operation. Water temperature control for a hydroponic system is taken as a case study for the RL model, adjusting the variance of disturbances to show the model’s robustness and efficiency. On average, the model showed safety improvement by up to 15% and energy efficiency improvements by 35%- 40% compared to a traditional RL model.

Keywords: control system, hydroponics, machine learning, reinforcement learning

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7678 Giant Achievements in Food Processing

Authors: Farnaz Amidi Fazli

Abstract:

After long period of human experience about food processing from raw eating to canning of food in the last century now it is time to use novel technologies which are sometimes completely different from common technologies. It is possible to decontaminate food without using heat or the foods are stored without using cold chain. Pulsed electric field (PEF) processing is a non-thermal method of food preservation that uses short bursts of electricity, PEF can be used for processing liquid and semi-liquid food products. PEF processing offers high quality fresh-like liquid foods with excellent flavor, nutritional value, and shelf-life. High pressure processing (HPP) technology has the potential to fulfill both consumer and scientific requirements. The use of HPP for over 50 years has found applications in non-food industries. For food applications, ‘high pressure’ can be generally considered to be up to 600 MPa for most food products. After years, freezing has its high potential to food preservation due to new and quick freezing methods. Foods which are prepared by this technology have more acceptability and high quality comparing with old fashion slow freezing. Thus, quick freezing has further been adopted as a widespread commercial method for long-term preservation of perishable foods which improved both the health and convenience of everyone in the industrialised countries. Above parameters are achieved by Fluidised-bed freezing systems, freezing by immersion and Hydrofluidisation on the other hand new thawing methods like high-pressure, microwave, ohmic, and acoustic thawing have a key role in quality and adaptability of final product.

Keywords: quick freezing, thawing, high pressure, pulse electric, hydrofluidisation

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7677 Artificial Intelligence in Vietnamese Higher Education: Benefits, Challenges and Ethics

Authors: Duong Van Thanh

Abstract:

Artificial Intelligence (AI) has been recently a new trend in Higher Education systems globally as well as in the Vietnamese Higher Education. This study explores the benefits and challenges in applications of AI in 02 selected universities, ie. Vietnam National Universities in Hanoi Capital and the University of Economics in Ho Chi Minh City. Particularly, this paper focuses on how the ethics of Artificial Intelligence have been addressed among faculty members at these two universities. The AI ethical issues include the access and inclusion, privacy and security, transparency and accountability. AI-powered educational technology has the potential to improve access and inclusion for students with disabilities or other learning needs. However, there is a risk that AI-based systems may not be accessible to all students and may even exacerbate existing inequalities. AI applications can be opaque and difficult to understand, making it challenging to hold them accountable for their decisions and actions. It is important to consider the benefits that adopting AI-systems bring to the institutions, teaching, and learning. And it is equally important to recognize the drawbacks of using AI in education and to take the necessary steps to mitigate any negative impact. The results of this study present a critical concern in higher education in Vietnam, where AI systems may be used to make important decisions about students’ learning and academic progress. The authors of this study attempt to make some recommendation that the AI-system in higher education system is frequently checked by a human in charge to verify that everything is working as it should or if the system needs some retraining or adjustments.

Keywords: artificial intelligence, ethics, challenges, vietnam

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7676 ANOVA-Based Feature Selection and Machine Learning System for IoT Anomaly Detection

Authors: Muhammad Ali

Abstract:

Cyber-attacks and anomaly detection on the Internet of Things (IoT) infrastructure is emerging concern in the domain of data-driven intrusion. Rapidly increasing IoT risk is now making headlines around the world. denial of service, malicious control, data type probing, malicious operation, DDos, scan, spying, and wrong setup are attacks and anomalies that can affect an IoT system failure. Everyone talks about cyber security, connectivity, smart devices, and real-time data extraction. IoT devices expose a wide variety of new cyber security attack vectors in network traffic. For further than IoT development, and mainly for smart and IoT applications, there is a necessity for intelligent processing and analysis of data. So, our approach is too secure. We train several machine learning models that have been compared to accurately predicting attacks and anomalies on IoT systems, considering IoT applications, with ANOVA-based feature selection with fewer prediction models to evaluate network traffic to help prevent IoT devices. The machine learning (ML) algorithms that have been used here are KNN, SVM, NB, D.T., and R.F., with the most satisfactory test accuracy with fast detection. The evaluation of ML metrics includes precision, recall, F1 score, FPR, NPV, G.M., MCC, and AUC & ROC. The Random Forest algorithm achieved the best results with less prediction time, with an accuracy of 99.98%.

Keywords: machine learning, analysis of variance, Internet of Thing, network security, intrusion detection

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7675 Enhancement of Dielectric Properties of Co-Precipitated Spinel Ferrites NiFe₂O₄/Carbon Nano Fibers Nanohybrid

Authors: Iftikhar Hussain Gul, Syeda Aatika

Abstract:

Nickel ferrite was prepared via wet chemical co-precipitation route. Carbon Nano Fibers (CNFs) were used to prepare NiFe₂O₄/CNFs nanohybrids. Polar solvent (ortho-xylene) was used for the dispersion of CNFs in ferrite matrix. X-ray diffraction patterns confirmed the formation of NiFe₂O₄/CNFs nanohybrids without any impurity peak. FTIR patterns showed two consistent characteristic absorption bands for tetrahedral and octahedral sites, confirming the formation of spinel structure of NiFe₂O₄. Scanning Electron Microscopy (SEM) images confirmed the coating of nickel ferrite nanoparticles on CNFs, which confirms the efficiency of deployed method. The dielectric properties were measured as a function of frequency at room temperature. Pure NiFe₂O₄ showed dielectric constant of 1.79 ×10³ at 100 Hz, which increased massively to 2.92 ×10⁶ at 100 Hz with the addition of 20% by weight of CNFs, proving it to be potential candidate for applications in supercapacitors. The impedance analysis showed a considerable decrease of resistance, reactance and cole-cole plot which confirms the decline of impedance on addition of CNFs. The pure NiFe₂O₄ has highest impedance values of 5.89 ×10⁷ Ohm at 100 Hz while the NiFe₂O₄/CNFs nanohybrid with CNFs (20% by weight) has the lowest impedance values of 4.25×10³ Ohm at 100 Hz, which proves this nanohybrid is useful for high-frequency applications.

Keywords: AC impedance, co-precipitation, nanohybrid, Fourier transform infrared spectroscopy, x-ray diffraction

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7674 Numerical Investigation of Nanofluid Based Thermosyphon System

Authors: Kiran Kumar K., Ramesh Babu Bejjam, Atul Najan

Abstract:

A thermosyphon system is a heat transfer loop which operates on the basis of gravity and buoyancy forces. It guarantees a good reliability and low maintenance cost as it does not involve any mechanical pump. Therefore it can be used in many industrial applications such as refrigeration and air conditioning, electronic cooling, nuclear reactors, geothermal heat extraction, etc. But flow instabilities and loop configuration are the major problems in this system. Several previous researchers studied that stabilities can be suppressed by using nanofluids as loop fluid. In the present study a rectangular thermosyphon loop with end heat exchangers are considered for the study. This configuration is more appropriate for many practical applications such as solar water heater, geothermal heat extraction, etc. In the present work, steady-state analysis is carried out on thermosyphon loop with parallel flow coaxial heat exchangers at heat source and heat sink. In this loop nano fluid is considered as the loop fluid and water is considered as the external fluid in both hot and cold heat exchangers. For this analysis one-dimensional homogeneous model is developed. In this model, conservation equations like conservation of mass, momentum, energy are discretized using finite difference method. A computer code is written in MATLAB to simulate the flow in thermosyphon loop. A comparison in terms of heat transfer is made between water and nano fluid as working fluids in the loop.

Keywords: heat exchanger, heat transfer, nanofluid, thermosyphon loop

Procedia PDF Downloads 477
7673 Fabrication and Characterization of Dissolvable Microneedle Patches Using Different Compositions and Ratios of Hyaluronic Acid and Zinc Oxide Nanoparticles

Authors: Dada Kolawole Segun

Abstract:

Transdermal drug delivery has gained popularity as a non-invasive method for controlled drug release compared to traditional delivery routes. Dissolvable transdermal patches have emerged as a promising platform for delivering a variety of drugs due to their ease of use. The objective of this research was to create and characterize dissolvable transdermal patches using various compositions and ratios of hyaluronic acid and zinc oxide nanoparticles. A micromolding technique was utilized to fabricate the patches, which were subsequently characterized using scanning electron microscopy, atomic force microscopy, and tensile strength testing. In vitro drug release studies were conducted to evaluate the drug release kinetics of the patches. The study found that the mechanical strength and dissolution properties of the patches were influenced by the hyaluronic acid and zinc oxide nanoparticle ratios used in the fabrication process. Moreover, the patches demonstrated controlled delivery of model drugs through the skin, highlighting their potential for transdermal drug delivery applications. The results suggest that dissolvable transdermal patches can be tailored to meet specific requirements for drug delivery applications using different compositions and ratios of hyaluronic acid and zinc oxide nanoparticles. This development has the potential to improve treatment outcomes and patient compliance in various therapeutic areas.

Keywords: transdermal drug delivery, characterization, skin permeation, biodegradable materials

Procedia PDF Downloads 90
7672 Fire Resistance of High Alumina Cement and Slag Based Ultra High Performance Fibre-Reinforced Cementitious Composites

Authors: A. Q. Sobia, M. S. Hamidah, I. Azmi, S. F. A. Rafeeqi

Abstract:

Fibre-reinforced polymer (FRP) strengthened reinforced concrete (RC) structures are susceptible to intense deterioration when exposed to elevated temperatures, particularly in the incident of fire. FRP has the tendency to lose bond with the substrate due to the low glass transition temperature of epoxy; the key component of FRP matrix.  In the past few decades, various types of high performance cementitious composites (HPCC) were explored for the protection of RC structural members against elevated temperature. However, there is an inadequate information on the influence of elevated temperature on the ultra high performance fibre-reinforced cementitious composites (UHPFRCC) containing ground granulated blast furnace slag (GGBS) as a replacement of high alumina cement (HAC) in conjunction with hybrid fibres (basalt and polypropylene fibres), which could be a prospective fire resisting material for the structural components. The influence of elevated temperatures on the compressive as well as flexural strength of UHPFRCC, made of HAC-GGBS and hybrid fibres, were examined in this study. Besides control sample (without fibres), three other samples, containing 0.5%, 1% and 1.5% of basalt fibres by total weight of mix and 1 kg/m3 of polypropylene fibres, were prepared and tested. Another mix was also prepared with only 1 kg/m3 of polypropylene fibres. Each of the samples were retained at ambient temperature as well as exposed to 400, 700 and 1000 °C followed by testing after 28 and 56 days of conventional curing. Investigation of results disclosed that the use of hybrid fibres significantly helped to improve the ambient temperature compressive and flexural strength of UHPFRCC, which was found to be 80 and 14.3 MPa respectively. However, the optimum residual compressive strength was marked by UHPFRCC-CP (with polypropylene fibres only), equally after both curing days (28 and 56 days), i.e. 41%. In addition, the utmost residual flexural strength, after 28 and 56 days of curing, was marked by UHPFRCC– CP and UHPFRCC– CB2 (1 kg/m3 of PP fibres + 1% of basalt fibres) i.e. 39% and 48.5% respectively.

Keywords: fibre reinforced polymer materials (FRP), ground granulated blast furnace slag (GGBS), high-alumina cement, hybrid, fibres

Procedia PDF Downloads 287
7671 Digital Transformation and Digitalization of Public Administration

Authors: Govind Kumar

Abstract:

The concept of ‘e-governance’ that was brought about by the new wave of reforms, namely ‘LPG’ in the early 1990s, has been enabling governments across the globe to digitally transform themselves. Digital transformation is leading the governments with qualitative decisions, optimization in rational use of resources, facilitation of cost-benefit analyses, and elimination of redundancy and corruption with the help of ICT-based applications interface. ICT-based applications/technologies have enormous potential for impacting positive change in the social lives of the global citizenry. Supercomputers test and analyze millions of drug molecules for developing candidate vaccines to combat the global pandemic. Further, e-commerce portals help distribute and supply household items and medicines, while videoconferencing tools provide a visual interface between the clients and hosts. Besides, crop yields are being maximized with the help of drones and machine learning, whereas satellite data, artificial intelligence, and cloud computing help governments with the detection of illegal mining, tackling deforestation, and managing freshwater resources. Such e-applications have the potential to take governance an extra mile by achieving 5 Es (effective, efficient, easy, empower, and equity) of e-governance and six Rs (reduce, reuse, recycle, recover, redesign and remanufacture) of sustainable development. If such digital transformation gains traction within the government framework, it will replace the traditional administration with the digitalization of public administration. On the other hand, it has brought in a new set of challenges, like the digital divide, e-illiteracy, technological divide, etc., and problems like handling e-waste, technological obsolescence, cyber terrorism, e-fraud, hacking, phishing, etc. before the governments. Therefore, it would be essential to bring in a rightful mixture of technological and humanistic interventions for addressing the above issues. This is on account of the reason that technology lacks an emotional quotient, and the administration does not work like technology. Both are self-effacing unless a blend of technology and a humane face are brought in into the administration. The paper will empirically analyze the significance of the technological framework of digital transformation within the government set up for the digitalization of public administration on the basis of the synthesis of two case studies undertaken from two diverse fields of administration and present a future framework of the study.

Keywords: digital transformation, electronic governance, public administration, knowledge framework

Procedia PDF Downloads 99
7670 Overcoming Usability Challenges of Educational Math Apps: Designing and Testing a Mobile Graphing Calculator

Authors: M. Tomaschko

Abstract:

The integration of technology in educational settings has gained a lot of interest. Especially the use of mobile devices and accompanying mobile applications can offer great potentials to complement traditional education with new technologies and enrich students’ learning in various ways. Nevertheless, the usability of the deployed mathematics application is an indicative factor to exploit the full potential of technology enhanced learning because directing cognitive load toward using an application will likely inhibit effective learning. For this reason, the purpose of this research study is the identification of possible usability issues of the mobile GeoGebra Graphing Calculator application. Therefore, eye tracking in combination with task scenarios, think aloud method, and a SUS questionnaire were used. Based on the revealed usability issues, the mobile application was iteratively redesigned and assessed in order to verify the success of the usability improvements. In this paper, the identified usability issues are presented, and recommendations on how to overcome these concerns are provided. The main findings relate to the conception of a mathematics keyboard and the interaction design in relation to an equation editor, as well as the representation of geometrical construction tools. In total, 12 recommendations were formed to improve the usability of a mobile graphing calculator application. The benefit to be gained from this research study is not only the improvement of the usability of the existing GeoGebra Graphing Calculator application but also to provide helpful hints that could be considered from designers and developers of mobile math applications.

Keywords: GeoGebra, graphing calculator, math education, smartphone, usability

Procedia PDF Downloads 134
7669 Optimal-Based Structural Vibration Attenuation Using Nonlinear Tuned Vibration Absorbers

Authors: Pawel Martynowicz

Abstract:

Vibrations are a crucial problem for slender structures such as towers, masts, chimneys, wind turbines, bridges, high buildings, etc., that is why most of them are equipped with vibration attenuation or fatigue reduction solutions. In this work, a slender structure (i.e., wind turbine tower-nacelle model) equipped with nonlinear, semiactive tuned vibration absorber(s) is analyzed. For this study purposes, magnetorheological (MR) dampers are used as semiactive actuators. Several optimal-based approaches to structural vibration attenuation are investigated against the standard ‘ground-hook’ law and passive tuned vibration absorber(s) implementations. The common approach to optimal control of nonlinear systems is offline computation of the optimal solution, however, so determined open loop control suffers from lack of robustness to uncertainties (e.g., unmodelled dynamics, perturbations of external forces or initial conditions), and thus perturbation control techniques are often used. However, proper linearization may be an issue for highly nonlinear systems with implicit relations between state, co-state, and control. The main contribution of the author is the development as well as numerical and experimental verification of the Pontriagin maximum-principle-based vibration control concepts that produce directly actuator control input (not the demanded force), thus force tracking algorithm that results in control inaccuracy is entirely omitted. These concepts, including one-step optimal control, quasi-optimal control, and optimal-based modified ‘ground-hook’ law, can be directly implemented in online and real-time feedback control for periodic (or semi-periodic) disturbances with invariant or time-varying parameters, as well as for non-periodic, transient or random disturbances, what is a limitation for some other known solutions. No offline calculation, excitations/disturbances assumption or vibration frequency determination is necessary, moreover, all of the nonlinear actuator (MR damper) force constraints, i.e., no active forces, lower and upper saturation limits, hysteresis-type dynamics, etc., are embedded in the control technique, thus the solution is optimal or suboptimal for the assumed actuator, respecting its limitations. Depending on the selected method variant, a moderate or decisive reduction in the computational load is possible compared to other methods of nonlinear optimal control, while assuring the quality and robustness of the vibration reduction system, as well as considering multi-pronged operational aspects, such as possible minimization of the amplitude of the deflection and acceleration of the vibrating structure, its potential and/or kinetic energy, required actuator force, control input (e.g. electric current in the MR damper coil) and/or stroke amplitude. The developed solutions are characterized by high vibration reduction efficiency – the obtained maximum values of the dynamic amplification factor are close to 2.0, while for the best of the passive systems, these values exceed 3.5.

Keywords: magnetorheological damper, nonlinear tuned vibration absorber, optimal control, real-time structural vibration attenuation, wind turbines

Procedia PDF Downloads 124
7668 Can We Meet the New Challenges of NonIsocyanates Polyurethanes (NIPU) towards NIPU Foams?

Authors: Adrien Cornille, Marine Blain, Bernard Boutevin, Sylvain Caillol

Abstract:

Generally, linear polyurethanes (PUs) are obtained by the reaction between an oligomeric diol, a short diol as chain extender and a diisocyanate. However the use of diisocyanate should be avoided since they are generally very harmful for human health. Therefore the synthesis of NIPUs (non isocyanate PUs) from step growth polymerization of dicyclocarbonates and diamines should be favoured. This method is particularly interesting since no hazardous isocyanates are used. Thus, this reaction, extensively studied by Endo et al. is currently gaining a lot of attention as a substitution route for the synthesis of NIPUs, both from industrial and academic community. However, the reactivity of reaction between amine and cyclic carbonate is a major scientific issue, since cyclic carbonates are poorly reactive. Thus, our team developed several synthetic ways for the synthesis of various di-cyclic carbonates based on C5-, C6- and dithio- cyclic carbonates, from different biobased raw materials (glycerin isosorbide, vegetable oils…). These monomers were used to synthesize NIPUs with various mechanical and thermal properties for various applications. We studied the reactivity of reaction with various catalysts and find optimized conditions for room temperature reaction. We also studied the radical copolymerization of cyclic carbonate monomers in styrene-acrylate copolymers for coating applications. We also succeeded in the elaboration of biobased NIPU flexible foams. To the best of our knowledge, there is no report in literature on the preparation of non-isocyanate polyurethane foams.

Keywords: foam, nonisocyanate polyurethane, cyclic carbonate, blowing agent, scanning electron microscopy

Procedia PDF Downloads 232
7667 Biomimetic Dinitrosyl Iron Complexes: A Synthetic, Structural, and Spectroscopic Study

Authors: Lijuan Li

Abstract:

Nitric oxide (NO) has become a fascinating entity in biological chemistry over the past few years. It is a gaseous lipophilic radical molecule that plays important roles in several physiological and pathophysiological processes in mammals, including activating the immune response, serving as a neurotransmitter, regulating the cardiovascular system, and acting as an endothelium-derived relaxing factor. NO functions in eukaryotes both as a signal molecule at nanomolar concentrations and as a cytotoxic agent at micromolar concentrations. The latter arises from the ability of NO to react readily with a variety of cellular targets leading to thiol S-nitrosation, amino acid N-nitrosation, and nitrosative DNA damage. Nitric oxide can readily bind to metals to give metal-nitrosyl (M-NO) complexes. Some of these species are known to play roles in biological NO storage and transport. These complexes have different biological, photochemical, or spectroscopic properties due to distinctive structural features. These recent discoveries have spawned a great interest in the development of transition metal complexes containing NO, particularly its iron complexes that are central to the role of nitric oxide in the body. Spectroscopic evidence would appear to implicate species of “Fe(NO)2+” type in a variety of processes ranging from polymerization, carcinogenesis, to nitric oxide stores. Our research focuses on isolation and structural studies of non-heme iron nitrosyls that mimic biologically active compounds and can potentially be used for anticancer drug therapy. We have shown that reactions between Fe(NO)2(CO)2 and a series of imidazoles generated new non-heme iron nitrosyls of the form Fe(NO)2(L)2 [L = imidazole, 1-methylimidazole, 4-methylimidazole, benzimidazole, 5,6-dimethylbenzimidazole, and L-histidine] and a tetrameric cluster of [Fe(NO)2(L)]4 (L=Im, 4-MeIm, BzIm, and Me2BzIm), resulted from the interactions of Fe(NO)2 with a series of substituted imidazoles was prepared. Recently, a series of sulfur bridged iron di nitrosyl complexes with the general formula of [Fe(µ-RS)(NO)2]2 (R = n-Pr, t-Bu, 6-methyl-2-pyridyl, and 4,6-dimethyl-2-pyrimidyl), were synthesized by the reaction of Fe(NO)2(CO)2 with thiols or thiolates. Their structures and properties were studied by IR, UV-vis, 1H-NMR, EPR, electrochemistry, X-ray diffraction analysis and DFT calculations. IR spectra of these complexes display one weak and two strong NO stretching frequencies (νNO) in solution, but only two strong νNO in solid. DFT calculations suggest that two spatial isomers of these complexes bear 3 Kcal energy difference in solution. The paramagnetic complexes [Fe2(µ-RS)2(NO)4]-, have also been investigated by EPR spectroscopy. Interestingly, the EPR spectra of complexes exhibit an isotropic signal of g = 1.998 - 2.004 without hyperfine splitting. The observations are consistent with the results of calculations, which reveal that the unpaired electron dominantly delocalize over the two sulfur and two iron atoms. The difference of the g values between the reduced form of iron-sulfur clusters and the typical monomeric di nitrosyl iron complexes is explained, for the first time, by of the difference in unpaired electron distributions between the two types of complexes, which provides the theoretical basis for the use of g value as a spectroscopic tool to differentiate these biologically active complexes.

Keywords: di nitrosyl iron complex, metal nitrosyl, non-heme iron, nitric oxide

Procedia PDF Downloads 304