Search results for: bone tissue density of jaws
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 5472

Search results for: bone tissue density of jaws

3912 Analyzing Boson Star as a Candidate for Dark Galaxy Using ADM Formulation of General Relativity

Authors: Aria Ratmandanu

Abstract:

Boson stars can be viewed as zero temperature ground state, Bose-Einstein condensates, characterized by enormous occupation numbers. Time-dependent spherically symmetric spacetime can be a model of Boson Star. We use (3+1) split of Einstein equation (ADM formulation of general relativity) to solve Einstein field equation coupled to a complex scalar field (Einstein-Klein-Gordon Equation) on time-dependent spherically symmetric spacetime, We get the result that Boson stars are pulsating stars with the frequency of oscillation equal to its density. We search for interior solution of Boson stars and get the T.O.V. (Tollman-Oppenheimer-Volkoff) equation for Boson stars. Using T.O.V. equation, we get the equation of state and the relation between pressure and density, its total mass and along with its gravitational Mass. We found that the hypothetical particle Axion could form a Boson star with the size of a milky way galaxy and make it a candidate for a dark galaxy, (a galaxy that consists almost entirely of dark matter).

Keywords: axion, boson star, dark galaxy, time-dependent spherically symmetric spacetime

Procedia PDF Downloads 244
3911 Preliminary Assessment for Protective Effect of Rhodiola rosea in Chemically Induced Ulcerative Colitis

Authors: Santram Lodhi, Alok Pal Jain, Awesh K. Yadav, Gopal Rai

Abstract:

Rhodiola rosea L. (Crassulaceae) is commonly known as golden root or rose root. It is a perennial herbaceous plant and most investigated species of the genus Rhodiola. Rhodiola rosea contains flavonoids, terpenoids, phenylpropanoid glycosides and phenylethanol derivatives in the roots of the plant. The objective of present study was to investigate the protective effect of hydroalcoholic extract from Rhodiola rosea roots in DSS induced colitis in mice. The ulcerative colitis was induced by DSS (3%, w/v) in mice and estimated weight loss and stool consistency. Various parameters including Colon length, spleen weights and ulcer index were also measured. The histological observations were observed by H&E staining. Effect of hydroalcoholic extract on various antioxidant parameter of rat colon such as tissue myeloperoxidase (MPO), reduced GSH, SOD concentrations and lipid peroxidation were determined. Pro-inflammatory mediators, such as tumour necrosis factor-α (TNF-α) and nitric oxide (NO) were determined by ELISA. In DSS induced group, mice body weight decreased gradually as compared to the control group. Redness and edema were observed in the colons intensely and scores representing inflammation in this group. The extract treated showed with tissue levels of TNF-α, IL-6 and MPO activity were significantly (p<0.05) increased. The mice treated with higher doses of hydroalcoholic extract (300 mg/kg) significantly reduced the activity compared with standard drug sulfasalazine (100 mg/kg. B.wt). Conclusion: Results of this study were suggested that the efficacy of hydroalcoholic extract, especially at the higher dose, was similar to that of standard drug, which concerned its potential application as a natural medicine for the treatment of ulcerative colitis.

Keywords: phenylpropanoid, Rhodiola rosea, sulfasalazin, ulcerative colitis

Procedia PDF Downloads 244
3910 Determination of Thermal Conductivity of Plaster Tow Material and Kapok Plaster by Numerical Method: Influence of the Heat Exchange Coefficient in Transitional Regime

Authors: Traore Papa Touty

Abstract:

This article presents a numerical method for determining the thermal conductivity of local materials, kapok plaster and tow plaster. It consists of heating the front face of a wall made from these two materials and at the same time insulating its rear face. We simultaneously study the curves of the evolution of the heat flux density as a function of time on the rear face and the evolution of the temperature gradient as a function of time between the heated face and the insulated face. Thermal conductivity is obtained when reaching a steady state when the evolution of the heat flux density and the temperature gradient no longer depend on time. The results showed that the theoretical value of thermal conductivity is obtained when the material has reached its equilibrium state. And the values obtained for different values of the convective exchange coefficients are appreciably equal to the experimental value.

Keywords: thermal conductivity, numerical method, heat exchange coefficient, transitional regime

Procedia PDF Downloads 219
3909 Cholesterol Modulating Properties of a Proprietary Extract from Phyllanthus spp on Hypercholesteraemic Mice Models

Authors: Anne R. Fernandez, Mohammad Akmal Adnan, Tanes Prasat, Indu Bala Jaganath, Brian Kirby, Kamalan Jeevaratnam

Abstract:

Introduction: Plants from the Phyllantus genus have been used indigenously for the treatment of a variety of ailments for generations. A cocktail of phytonutrients prepared from a plant of the genus Phyllanthus has demonstrated the potential to alleviate ailments which include cardiovascular disorders. In this study, we investigated the cholesterol modulating properties of a highly purified proprietary extract of a Phyllanthus species in hypercholesteraemic mice. Methods: Hypercholesteraemia was induced in ICR mice by ad-libitum feeding of high fat diet daily for six weeks. The mice were then divided into 3 groups and force fed with 10mg/kg of atorvastatin, 200mg/kg of the proprietary Phyllanthus extract and water respectively. Blood samples were taken at the end of fourth week of treatment by a tail prick. At the end of the eighth week of treatment, mice were sacrificed and serum levels of total cholesterol, high-density lipoprotein (HDL), low-density lipoprotein (LDL) and triglycerides were measured. Results: The mean cholesterol levels in the mice fed with high fat diet were 44% (p < 0.05) higher than the mice on normal diet thus validating the model developed. The plasma HDL was significantly elevated in mice treated with the formulation (p ˂ 0.05) in comparison to the statin-treated and control mice. The total cholesterol levels in the mice treated with the proprietary extract were reduced significantly (p < 0.05) at the end of 4 weeks of treatment in comparison to the mice treated with atorvastatin. By the end of 8 weeks of treatment, there was no significant difference in the cholesterol levels of the mice in all groups. Conclusion: These results demonstrate that this proprietary extract from Phyllanthus species has the beneficial effect of reducing total cholesterol level more rapidly than atorvastatin and increasing HDL levels. Since an increase in the HDL cholesterol can reduce the risk of heart disease, this proprietary extract is a useful and safe therapeutic option compared to atorvastatin.

Keywords: high-density lipoprotein, hypercholesteraemic mice model, ICR mice, Phyllanthus spp.

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3908 A Multiple Freezing/Thawing Cycles Influence Internal Structure and Mechanical Properties of Achilles Tendon

Authors: Martyna Ekiert, Natalia Grzechnik, Joanna Karbowniczek, Urszula Stachewicz, Andrzej Mlyniec

Abstract:

Tendon grafting is a common procedure performed to treat tendon rupture. Before the surgical procedure, tissues intended for grafts (i.e., Achilles tendon) are stored in ultra-low temperatures for a long time and also may be subjected to unfavorable conditions, such as repetitive freezing (F) and thawing (T). Such storage protocols may highly influence the graft mechanical properties, decrease its functionality and thus increase the risk of complications during the transplant procedure. The literature reports on the influence of multiple F/T cycles on internal structure and mechanical properties of tendons stay inconclusive, confirming and denying the negative influence of multiple F/T at the same time. An inconsistent research methodology and lack of clear limit of F/T cycles, which disqualifies tissue for surgical graft purposes, encouraged us to investigate the issue of multiple F/T cycles by the mean of biomechanical tensile tests supported with Scanning Electron Microscope (SEM) imaging. The study was conducted on male bovine Achilles tendon-derived from the local abattoir. Fresh tendons were cleaned of excessive membranes and then sectioned to obtained fascicle bundles. Collected samples were randomly assigned to 6 groups subjected to 1, 2, 4, 6, 8 and 12 cycles of freezing-thawing (F/T), respectively. Each F/T cycle included deep freezing at -80°C temperature, followed by thawing at room temperature. After final thawing, thin slices of the side part of samples subjected to 1, 4, 8 and 12 F/T cycles were collected for SEM imaging. Then, the width and thickness of all samples were measured to calculate the cross-sectional area. Biomechanical tests were performed using the universal testing machine (model Instron 8872, INSTRON®, Norwood, Massachusetts, USA) using a load cell with a maximum capacity of 250 kN and standard atmospheric conditions. Both ends of each fascicle bundle were manually clamped in grasping clamps using abrasive paper and wet cellulose wadding swabs to prevent tissue slipping while clamping and testing. Samples were subjected to the testing procedure including pre-loading, pre-cycling, loading, holding and unloading steps to obtain stress-strain curves for representing tendon stretching and relaxation. The stiffness of AT fascicles bundle samples was evaluated in terms of modulus of elasticity (Young’s modulus), calculated from the slope of the linear region of stress-strain curves. SEM imaging was preceded by chemical sample preparation including 24hr fixation in 3% glutaraldehyde buffered with 0.1 M phosphate buffer, washing with 0.1 M phosphate buffer solution and dehydration in a graded ethanol solution. SEM images (Merlin Gemini II microscope, ZEISS®) were taken using 30 000x mag, which allowed measuring a diameter of collagen fibrils. The results confirm a decrease in fascicle bundles Young’s modulus as well as a decrease in the diameter of collagen fibrils. These results confirm the negative influence of multiple F/T cycles on the mechanical properties of tendon tissue.

Keywords: biomechanics, collagen, fascicle bundles, soft tissue

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3907 Properties of Compressed Earth Blocks Enhanced with Clay Pozzolana

Authors: Humphrey Danso, Seth Adu

Abstract:

The high cost of cement and its greenhouse effect on the environment have led to the use of alternative building materials in the production of block and bricks. This study seeks to investigate the properties of compressed earth blocks (CEBs) enhanced with clay pozzolana. CEBs of size 290 × 140 × 100 mm were prepared with 10, 20 and 30 % weight of clay pozzolana. The CEBs were compressed at a constant pressure of 5 MPa and cured for 28 days. The blocks, after 7, 14, 21 and 28 days of curing were tested for density, water absorption, compressive strength and erosion. It was found that amount of pozzolana content did not have much influence on blocks’ density. There was a decline in water absorption of the stabilised blocks ranged between 32.8% and 252.2% over the unstabilised blocks. The highest compressive strength (3.75MPa) of the stabilized blocks was achieved at 28th day of curing with 30% clay pozzolana content, which showed an improvement of 116.8% strength over the unstabilised blocks. Furthermore, there was a statistically significant difference in the erosion resistance between the stabilized blocks and the unstabilised blocks. The study concludes that the inclusion of the clay pozzolana increased the properties of the CEBs, and therefore recommended for use in the building of houses.

Keywords: clay pozzolana, compressed earth blocks (CEBs), compressive strength, erosion test

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3906 Instability of H2-O2-CO2 Premixed Flames on Flat Burner

Authors: Kaewpradap Amornrat, Endo Takahiro, Kadowaki Satoshi

Abstract:

The combustion of hydrogen-oxygen (H2-O2) mixtures was investigated to consider the reduction of carbon dioxide (CO2) and nitrogen oxide (NOx) as the greenhouse emission. Normally, the flame speed of combustion H2-O2 mixtures are very fast thus it is necessary to control the limit of mixtures with CO2 addition as H2-O2-CO2 combustion. The limit of hydrogen was set and replaced by CO2 with O2:CO2 ratio as 1:3.76, 1:4 and 1:5 for this study. In this study, the combustion of H2-O2 -CO2 on flat burner at equivalence ratio =0.5 was investigated for 10, 15 and 20 L/min of flow rate mixtures. When the ratio of CO2 increases, the power spectral density is lower, the size of attractor and cellular flame become larger because the decrease of hydrogen replaced by CO2 affects the diffusive-thermal instability. Moreover, the flow rate mixtures increases, the power spectral density increases, the size of reconstructed attractor and cell size become smaller due to decreasing of instability. The results show that the variation of CO2 and mixture flow rate affects the instability of cellular premixed flames on flat burner.

Keywords: instability, H2-O2-CO2 combustion, flat burner, diffusive-thermal instability

Procedia PDF Downloads 362
3905 In vivo Mechanical Characterization of Facial Skin Combining Digital Image Correlation and Finite Element

Authors: Huixin Wei, Shibin Wang, Linan Li, Lei Zhou, Xinhao Tu

Abstract:

Facial skin is a biomedical material with complex mechanical properties of anisotropy, viscoelasticity, and hyperelasticity. The mechanical properties of facial skin are crucial for a number of applications including facial plastic surgery, animation, dermatology, cosmetic industry, and impact biomechanics. Skin is a complex multi-layered material which can be broadly divided into three main layers, the epidermis, the dermis, and the hypodermis. Collagen fibers account for 75% of the dry weight of dermal tissue, and it is these fibers which are responsible for the mechanical properties of skin. Many research on the anisotropic mechanical properties are mainly concentrated on in vitro, but there is a great difference between in vivo and in vitro for mechanical properties of the skin. In this study, we presented a method to measure the mechanical properties of facial skin in vivo. Digital image correlation (DIC) and indentation tests were used to obtain the experiment data, including the deformation of facial surface and indentation force-displacement curve. Then, the experiment was simulated using a finite element (FE) model. Application of Computed Tomography (CT) and reconstruction techniques obtained the real tissue geometry. A three-dimensional FE model of facial skin, including a bi-layer system, was obtained. As the epidermis is relatively thin, the epidermis and dermis were regarded as one layer and below it was hypodermis in this study. The upper layer was modeled as a Gasser-Ogden-Holzapfel (GOH) model to describe hyperelastic and anisotropic behaviors of the dermis. The under layer was modeled as a linear elastic model. In conclusion, the material properties of two-layer were determined by minimizing the error between the FE data and experimental data.

Keywords: facial skin, indentation test, finite element, digital image correlation, computed tomography

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3904 Home Range and Spatial Interaction Modelling of Black Bears

Authors: Fekadu L. Bayisa, Elvan Ceyhan, Todd D. Steury

Abstract:

Interaction between individuals within the same species is an important component of population dynamics. An interaction can be either static (based on spatial overlap) or dynamic (based on movement interactions). Using GPS collar data, we can quantify both static and dynamic interactions between black bears. The goal of this work is to determine the level of black bear interactions using the 95% and 50% home ranges, as well as to model black bear spatial interactions, which could be attraction, avoidance/repulsion, or a lack of interaction at all, to gain new insights and improve our understanding of ecological processes. Recent methodological developments in home range estimation, inhomogeneous multitype/cross-type summary statistics, and envelope testing methods are explored to study the nature of black bear interactions. Our findings, in general, indicate that the black bears of one type in our data set tend to cluster around another type.

Keywords: autocorrelated kernel density estimator, cross-type summary function, inhomogeneous multitype Poisson process, kernel density estimator, minimum convex polygon, pointwise and global envelope tests

Procedia PDF Downloads 83
3903 The Influence of Mineraliser Granulometry on Dense Silica Brick Microstructure

Authors: L. Nevrivova, K. Lang, M. Kotoucek, D. Vsiansky

Abstract:

This entry concerned with dense silica microstructure was produced as a part of a project within the Technology Agency of the Czech Republic which is being implemented in cooperation of the biggest producer of refractories the P-D Refractories CZ company with the research organisation Brno University of Technology. The paper is focused on the influence of mixture homogenisation and the influence of grain size of the mineraliser on the resulting utility properties of the material as well as its microstructure. It has a decisive influence on the durability of the material in a building structure. This paper is a continuation of a previously published study dealing with the suitability of various types of mineralising agents in terms of density, strength and mineral composition of silica. The entry describes the influence of the method of mixture homogenisation and the influence of granulometry of the applied Fe-mineralising agent on the resulting silica microstructure. Porosity, density, phase composition and microstructure of the experimentally prepared silica samples were examined and the results were discussed in context with the technology of homogenisation and firing temperature used. The properties of silica brick samples were compared to the sample without any Fe-mineraliser.

Keywords: silica bricks, Fe-mineraliser, mineralogical composition, new developed silica material

Procedia PDF Downloads 336
3902 Material Response Characterisation of a PolyJet 3D Printed Human Infant Skull

Authors: G. A. Khalid, R. Prabhu, W. Whittington, M. D. Jones

Abstract:

To establish a causal relationship of infant head injury consequences, this present study addresses the necessary challenges of cranial geometry and the physical response complexities of the paediatric head tissues. Herein, we describe a new approach to characterising and understanding infant head impact mechanics by developing printed head models, using high resolution clinical postmortem imaging, to provide the most complete anatomical representation currently available, and biological material response data-matched polypropylene polymers, to replicate the relative mechanical response properties of immature cranial bone, sutures and fontanelles. Additive manufacturing technology was applied to creating a physical polymeric model of a newborn infant skull, using PolyJet printed materials. Infant skull materials responses, were matched by a response characterisation study, utilising uniaxial tensile testing (1 mm min-1 loading rate), to determine: the stiffness, ultimate tensile strength and maximum strain of rigid and rubber additively manufactured acrylates. The results from the mechanical experiments confirm that the polymeric materials RGD835 Vero White Plus (White), representing the frontal and parietal bones; RGD8510- DM Rigid Light Grey25 (Grey), representing the occipital bone; and FLX9870-DM (Black) representing the suture and fontanelles, were found to show a close stiffness -correlation (E) at ambient temperatures. A 3D physical model of infant head was subsequently printed from the matched materials and subsequently validated against results obtained from a series of Post Mortem Human Surrogate (PMHS) tests. A close correlation was demonstrated between the model impact tests and the PMHS. This study, therefore, represents a key step towards applying printed physical models to understanding head injury biomechanics and is useful in the efforts to predict and mitigate head injury consequences in infants, whether accidental or by abuse.

Keywords: infant head trauma, infant skull, material response, post mortem human subjects, polyJet printing

Procedia PDF Downloads 141
3901 Comparison of Different Electrical Machines with Permanent Magnets in the Stator for Use as an Industrial Drive

Authors: Marcel Lehr, Andreas Binder

Abstract:

This paper compares three different permanent magnet synchronous machines (Doubly-Salient-Permanent-Magnet-Machine (DSPM), Flux-Reversal-Permanent-Magnet-Machine (FRPM), Flux-Switching-Permanent-Magnet-Machine (FSPM)) with the permanent magnets in the stator of the machine for use as an industrial drive for 400 V Y, 45 kW and 1000 ... 3000 min-1. The machines are compared based on the magnetic co-energy and Finite-Element-Method-Simulations regarding the torque density. The results show that the FSPM provides the highest torque density of the three machines. Therefore, an FSPM prototype was built, tested on a test bench and finally compared with an already built conventional permanent magnet synchronous machine (PMSM) of the same size (stator outer diameter dso = 314 mm, axial length lFe = 180 mm) and rating with surface-mounted rotor magnets. These measurements show that the conventional PMSM and the FSPM machine are roughly equivalent in their electrical behavior.

Keywords: doubly-salient-permanent-magnet-machine, flux-reversal-permanent-magnet-machine, flux-switching-permanent-magnet-machine, industrial drive

Procedia PDF Downloads 371
3900 Magnetic End Leakage Flux in a Spoke Type Rotor Permanent Magnet Synchronous Generator

Authors: Petter Eklund, Jonathan Sjölund, Sandra Eriksson, Mats Leijon

Abstract:

The spoke type rotor can be used to obtain magnetic flux concentration in permanent magnet machines. This allows the air gap magnetic flux density to exceed the remanent flux density of the permanent magnets but gives problems with leakage fluxes in the magnetic circuit. The end leakage flux of one spoke type permanent magnet rotor design is studied through measurements and finite element simulations. The measurements are performed in the end regions of a 12 kW prototype generator for a vertical axis wind turbine. The simulations are made using three dimensional finite elements to calculate the magnetic field distribution in the end regions of the machine. Also two dimensional finite element simulations are performed and the impact of the two dimensional approximation is studied. It is found that the magnetic leakage flux in the end regions of the machine is equal to about 20% of the flux in the permanent magnets. The overestimation of the performance by the two dimensional approximation is quantified and a curve-fitted expression for its behavior is suggested.

Keywords: end effects, end leakage flux, permanent magnet machine, spoke type rotor

Procedia PDF Downloads 336
3899 Mango (Mangifera indica L.) Lyophilization Using Vacuum-Induced Freezing

Authors: Natalia A. Salazar, Erika K. Méndez, Catalina Álvarez, Carlos E. Orrego

Abstract:

Lyophilization, also called freeze-drying, is an important dehydration technique mainly used for pharmaceuticals. Food industry also uses lyophilization when it is important to retain most of the nutritional quality, taste, shape and size of dried products and to extend their shelf life. Vacuum-Induced during freezing cycle (VI) has been used in order to control ice nucleation and, consequently, to reduce the time of primary drying cycle of pharmaceuticals preserving quality properties of the final product. This procedure has not been applied in freeze drying of foods. The present work aims to investigate the effect of VI on the lyophilization drying time, final moisture content, density and reconstitutional properties of mango (Mangifera indica L.) slices (MS) and mango pulp-maltodextrin dispersions (MPM) (30% concentration of total solids). Control samples were run at each freezing rate without using induced vacuum. The lyophilization endpoint was the same for all treatments (constant difference between capacitance and Pirani vacuum gauges). From the experimental results it can be concluded that at the high freezing rate (0.4°C/min) reduced the overall process time up to 30% comparing process time required for the control and VI of the lower freeze rate (0.1°C/min) without affecting the quality characteristics of the dried product, which yields a reduction in costs and energy consumption for MS and MPM freeze drying. Controls and samples treated with VI at freezing rate of 0.4°C/min in MS showed similar results in moisture and density parameters. Furthermore, results from MPM dispersion showed favorable values when VI was applied because dried product with low moisture content and low density was obtained at shorter process time compared with the control. There were not found significant differences between reconstitutional properties (rehydration for MS and solubility for MPM) of freeze dried mango resulting from controls, and VI treatments.

Keywords: drying time, lyophilization, mango, vacuum induced freezing

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3898 Structural and Phase Transformations of Pure and Silica Treated Nanofibrous Al₂O₃

Authors: T. H. N. Nguyen, A. Khodan, M. Amamra, J-V. Vignes, A. Kanaev

Abstract:

The ultraporous nanofibrous alumina (NOA, Al2O3·nH2O) was synthesized by oxidation of laminated aluminium plates through a liquid mercury-silver layer in a humid atmosphere ~80% at 25°C. The material has an extremely high purity (99%), porosity (90%) and specific area (300 m2/g). The subsequent annealing of raw NOA permits obtaining pure transition phase (γ and θ) nanostructured materials. In this combination, we report on chemical, structural and phase transformations of pure and modified NOA by an impregnation of trimethylethoxysilane (TMES) and tetraethoxysilane (TEOS) during thermal annealing in the temperature range between 20 and 1650°C. The mass density, specific area, average diameter and specific area are analysed. The 3D model of pure NOA monoliths and silica modified NOA is proposed, which successfully describes the evolution of specific area, mass density and phase transformations. Activation energies of the mass transport in two regimes of surface diffusion and bulk sintering were obtained based on this model. We conclude about a common origin of modifications of the NOA morphology, chemical composition and phase transition.

Keywords: nanostructured materials, alumina (Al₂O₃), morphology, phase transitions

Procedia PDF Downloads 378
3897 The Importance of Science and Technology Education in Skill Acquisition for Self Dependence

Authors: Olaje Monday Olaje

Abstract:

Science and technology has been prove to be the back bone for economic development of any country, and for Nigeria, it has more critical role to play. This paper examines the importance of science and technology education for national development and self dependence for Nigerian citizens. A historical overview of the interconnectivity of science and technology and self dependence is heighted. The current situation and challenges facing science and technology education are also highlighted to bring out the theoretical importance of science and technology education for self dependence which actually has not been practically achieved. Recommendations are also made at the of the study so as to skill acquisition through science and technology for self dependence.

Keywords: acquisition, education, self-dependence, science, technology

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3896 Mapping the Relationship between Elements of Urban Morphology Density of Crime

Authors: Fabio Salvador Aparecido Santos, Spencer Chainey, Richard Wortley

Abstract:

Urban morphology can be understood as the study of the physical form of cities through its elements. Crime, at this turn, can be oversimplified as an action that breaks the rules established in a certain society. This study involves these two subjects through the relationship between elements of urban morphology and density of crime occurrences. We consider that there is a research gap about the influence of urban features on crime occurrences using statistic methods and mapping techniques on Geographic Information Systems. The investigation will comprehend three main phases. The first phase involves examining how theoretical principles associated with urban morphology can be viewed in terms of their influence on crime patterns. The second phase involves the development of tools to be used to model elements of urban morphology, and measure the relationship between these urban morphological elements and patterns of crime. The third phase involves determining the extent to which elements of the urban environment can contribute to crime reduction. Understanding the relationship between urban morphology and crime patterns in a Latin American context will help highlight the influence urban planning has on the crime problems that emerge in these settings, and how effectively urban planning can contribute to reducing crime.

Keywords: Agent-based Modelling, Environmental Criminology, Geographic Information System, Urban Morphology

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3895 Stimulation of Nerve Tissue Differentiation and Development Using Scaffold-Based Cell Culture in Bioreactors

Authors: Simon Grossemy, Peggy P. Y. Chan, Pauline M. Doran

Abstract:

Nerve tissue engineering is the main field of research aimed at finding an alternative to autografts as a treatment for nerve injuries. Scaffolds are used as a support to enhance nerve regeneration. In order to successfully design novel scaffolds and in vitro cell culture systems, a deep understanding of the factors affecting nerve regeneration processes is needed. Physical and biological parameters associated with the culture environment have been identified as potentially influential in nerve cell differentiation, including electrical stimulation, exposure to extracellular-matrix (ECM) proteins, dynamic medium conditions and co-culture with glial cells. The mechanisms involved in driving the cell to differentiation in the presence of these factors are poorly understood; the complexity of each of them raises the possibility that they may strongly influence each other. Some questions that arise in investigating nerve regeneration include: What are the best protein coatings to promote neural cell attachment? Is the scaffold design suitable for providing all the required factors combined? What is the influence of dynamic stimulation on cell viability and differentiation? In order to study these effects, scaffolds adaptable to bioreactor culture conditions were designed to allow electrical stimulation of cells exposed to ECM proteins, all within a dynamic medium environment. Gold coatings were used to make the surface of viscose rayon microfiber scaffolds (VRMS) conductive, and poly-L-lysine (PLL) and laminin (LN) surface coatings were used to mimic the ECM environment and allow the attachment of rat PC12 neural cells. The robustness of the coatings was analyzed by surface resistivity measurements, scanning electron microscope (SEM) observation and immunocytochemistry. Cell attachment to protein coatings of PLL, LN and PLL+LN was studied using DNA quantification with Hoechst. The double coating of PLL+LN was selected based on high levels of PC12 cell attachment and the reported advantages of laminin for neural differentiation. The underlying gold coatings were shown to be biocompatible using cell proliferation and live/dead staining assays. Coatings exhibiting stable properties over time under dynamic fluid conditions were developed; indeed, cell attachment and the conductive power of the scaffolds were maintained over 2 weeks of bioreactor operation. These scaffolds are promising research tools for understanding complex neural cell behavior. They have been used to investigate major factors in the physical culture environment that affect nerve cell viability and differentiation, including electrical stimulation, bioreactor hydrodynamic conditions, and combinations of these parameters. The cell and tissue differentiation response was evaluated using DNA quantification, immunocytochemistry, RT-qPCR and functional analyses.

Keywords: bioreactor, electrical stimulation, nerve differentiation, PC12 cells, scaffold

Procedia PDF Downloads 248
3894 Immunolabeling of TGF-β during Muscle Regeneration

Authors: K. Nikovics, D. Riccobono, M. Oger, H. Morin, L. Barbier, T. Poyot, X. Holy, A. Bendahmane, M. Drouet, A. L. Favier

Abstract:

Muscle regeneration after injury (as irradiation) is of great importance. However, the molecular and cellular mechanisms are still unclear. Cytokines are believed to play fundamental role in the different stages of muscle regeneration. They are secreted by many cell populations, but the predominant producers are macrophages and helper T cells. On the other hand, it has been shown that adipose tissue derived stromal/stem cell (ASC) injection could improve muscle regeneration. Stem cells probably induce the coordinated modulations of gene expression in different macrophage cells. Therefore, we investigated the patterns and timing of changes in gene expression of different cytokines occurring upon stem cells loading. Muscle regeneration was studied in an irradiated muscle of minipig animal model in presence or absence of ASC treatment (irradiated and treated with ASCs, IRR+ASC; irradiated not-treated with ASCs, IRR; and non-irradiated no-IRR). We characterized macrophage populations by immunolabeling in the different conditions. In our study, we found mostly M2 and a few M1 macrophages in the IRR+ASC samples. However, only few M2b macrophages were noticed in the IRR muscles. In addition, we found intensive fibrosis in the IRR samples. With in situ hybridization and immunolabeling, we analyzed the cytokine expression of the different macrophages and we showed that M2d macrophage are the most abundant in the IRR+ASC samples. By in situ hybridization, strong expression of the transforming growth factor β (TGF-β) was observed in the IRR+ASC but very week in the IRR samples. But when we analyzed TGF-β level with immunolabeling the expression was very different: many M2 macrophages showed week expression in IRR+ASC and few cells expressing stronger level in IRR muscles. Therefore, we investigated the MMP expressions in the different muscles. Our data showed that the M2 macrophages of the IRR+ASC muscle expressed MMP2 proteins. Our working hypothesis is that MMP2 expression of the M2 macrophages can decrease fibrosis in the IRR+ASC muscle by capturing TGF-β.

Keywords: adipose tissue derived stromal/stem cell, cytokine, macrophage, muscle regeneration

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3893 Probing Mechanical Mechanism of Three-Hinge Formation on a Growing Brain: A Numerical and Experimental Study

Authors: Mir Jalil Razavi, Tianming Liu, Xianqiao Wang

Abstract:

Cortical folding, characterized by convex gyri and concave sulci, has an intrinsic relationship to the brain’s functional organization. Understanding the mechanism of the brain’s convoluted patterns can provide useful clues into normal and pathological brain function. During the development, the cerebral cortex experiences a noticeable expansion in volume and surface area accompanied by tremendous tissue folding which may be attributed to many possible factors. Despite decades of endeavors, the fundamental mechanism and key regulators of this crucial process remain incompletely understood. Therefore, to taking even a small role in unraveling of brain folding mystery, we present a mechanical model to find mechanism of 3-hinges formation in a growing brain that it has not been addressed before. A 3-hinge is defined as a gyral region where three gyral crests (hinge-lines) join. The reasons that how and why brain prefers to develop 3-hinges have not been answered very well. Therefore, we offer a theoretical and computational explanation to mechanism of 3-hinges formation in a growing brain and validate it by experimental observations. In theoretical approach, the dynamic behavior of brain tissue is examined and described with the aid of a large strain and nonlinear constitutive model. Derived constitute model is used in the computational model to define material behavior. Since the theoretical approach cannot predict the evolution of cortical complex convolution after instability, non-linear finite element models are employed to study the 3-hinges formation and secondary morphological folds of the developing brain. Three-dimensional (3D) finite element analyses on a multi-layer soft tissue model which mimics a small piece of the brain are performed to investigate the fundamental mechanism of consistent hinge formation in the cortical folding. Results show that after certain amount growth of cortex, mechanical model starts to be unstable and then by formation of creases enters to a new configuration with lower strain energy. By further growth of the model, formed shallow creases start to form convoluted patterns and then develop 3-hinge patterns. Simulation results related to 3-hinges in models show good agreement with experimental observations from macaque, chimpanzee and human brain images. These results have great potential to reveal fundamental principles of brain architecture and to produce a unified theoretical framework that convincingly explains the intrinsic relationship between cortical folding and 3-hinges formation. This achieved fundamental understanding of the intrinsic relationship between cortical folding and 3-hinges formation would potentially shed new insights into the diagnosis of many brain disorders such as schizophrenia, autism, lissencephaly and polymicrogyria.

Keywords: brain, cortical folding, finite element, three hinge

Procedia PDF Downloads 237
3892 Analysis of Sickle Cell Disease and Maternal Mortality in United Kingdom

Authors: Basma Hassabo, Sarah Ahmed, Aisha Hameed

Abstract:

Aims and Objectives: To determine the incidence of maternal mortality amongst pregnant women with sickle cell disease (SCD) in the United Kingdom and to determine exact cause of death in these women. Background: SCD is caused by the ‘sickle’ gene and is characterized by episodes of severe bone pain and other complications like acute chest syndrome, chronic pulmonary hypertension, stroke, retinopathy, chronic renal failure, hepato-splenic crises, avascular bone necrosis, sepsis and leg ulcers. SCD is a continual cause of maternal mortality and fetal complications, and it comprises 1.5% of all Direct and Indirect deaths in the UK. Sepsis following premature rupture of membranes with ascending infection, post-partum infection and pre-labour overwhelming septic shock is one of its leading causes of death. Over the last fifty years of maternal mortality reports in UK, between 1 to 4 pregnant women died in each triennium. Material and Method: This is a retrospective study that involves pregnant women who died from SCD complications in the UK between 1952-2012. Data were collected from the UK Confidential Enquiries into Maternal Death and its causes between 1952–2012. Prior to 1985, exact cause of death in this cohort was not recorded. Results: 33 deaths reported between 1964 and 1984. 17 deaths were reported due to sickle cell disease between 1985 and 2012. Five women in this group died of sickle cell crisis, one woman had liver sequestration crisis, two women died of venous thromboembolism, two had myocardial fibrosis and three died of sepsis. Remaining women died of amniotic fluid embolism, SUDEP, myocardial ischemia and intracranial haemorrhage. Conclusion: The leading causes of death in sickle cell sick pregnant women are sickle cell crises, sepsis, venous thrombosis and thromboembolism. Prenatal care for women with SCD should be managed by a multidisciplinary team that includes an obstetrician, nutritionist, primary care physician, and haematologist. In every sick Sickle Cell woman Sickle Cell crises should be on the top of the list of differential diagnosis. Aggressive treatment of complications with low threshold to commence broad-spectrum antibiotics and LMWH contribute to better outcomes.

Keywords: incidence, maternal mortality, sickle cell disease (SCD), uk

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3891 Graphene-Intercalated P4Se3@CNF Hybrid Electrode for Sustainable Energy Storage Solution: Enabling High Energy Density and Ultra-long Cyclic Stability

Authors: Daya Rani

Abstract:

Non-metal-based compounds have emerged as promising electrodes in recent years to replace scarce and expensive transition-metals for energy storage applications. Herein, a simple electro-spinning technique followed by carbonization is used to create tetraphosphorus triselenide(P4Se3)nano-flakes encapsulated in carbon nanofiber (P4Se3@CNF) to obtain a binder-free, metal-free and flexible hybrid electrode with high electrical conductivity and cyclic stability. A remarkable capacitive performance (5.5-folds@P4Se3) of 810Fg-1/[email protected] has been obtained using P4Se3@CNF electrode with an excellent rate capability compared to pristine(P4Se3) which is further supported by theoretical calculations via intercalating graphene within bare P4Se3 flakes inducing partial charge redistribution in hetero-structure. A flexible pouch-type hybrid-supercapacitor followed by coin-cell has been manufactured offering exceptional energy-density without sacrificing power density and ultra-long durability over 35000 and 100000-cycles with capacitance-retention of 99.77% and 100%, respectively. It has been demonstrated that as-fabricated device has practical usefulness towards renewable energy harvesting and storage via integrating commercial solar cell module with supercapattery array that can enlighten the blue LED approximately for 31minutes, rotate the homemade windmill device, power Arduino and glow “INST” against 2minutes of charging. This work demonstrates a facile route towards the development of metal-free electrochemical renewable energy storage/transfer devices offering an inevitable adoption in industrial platforms.

Keywords: metal free, carbon nano-fiber, pouch-type hybrid super-capacitor, nano-flakes

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3890 A Novel All-Solid-State Microsupercapacitor Based on Carbon Nanotube Sheets

Authors: Behnoush Dousti, Ye Choi, Gil S. Lee

Abstract:

Supercapacitors which are also known as ultra supercapacitors play a significant role in development of energy storage devices owing to their high power density and rate capability. Nobel research has been conducted on micro scale energy storage systems currently to address the demand for smaller wearable technology and portable devices. Improving the performance of these microsupercapacitors have been always a challenge. Here, we demonstrate a facile fabrication of a microsupercapacitor (MSC) with interdigitated electrodes using novel structure of carbon nanotube sheets which are spun directly from as-grown carbon nanotube forests. Stability and performance of the device was tested using an aqueous PVA-H3PO4 gel electrolyte that also offers desirable electrochemical capacitive properties. High Coulombic efficiency around 100%, great rate capability and excellent capacitance retention over 15,000 cycles were obtained. Capacitive performance greatly improved with surface modification with acid and nitrogen doping of the CNT sheets. The high power density and stable cycling performance make this microsupercapacitor a suitable candidate for verity of energy storage application.

Keywords: carbon nanotube sheet, energy storage, solid state electrolyte, supercapacitor

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3889 Numerical Simulation of Convective and Transport Processes in the Nocturnal Atmospheric Surface Layer

Authors: K. R. Sreenivas, Shaurya Kaushal

Abstract:

After sunset, under calm & clear-sky nocturnal conditions, the air layer near the surface containing aerosols cools through radiative processes to the upper atmosphere. Due to this cooling, surface air-layer temperature can fall 2-6 degrees C lower than the ground-surface temperature. This unstable convection layer, on the top, is capped by a stable inversion-boundary layer. Radiative divergence, along with the convection within the surface layer, governs the vertical transport of heat and moisture. Micro-physics in this layer have implications for the occurrence and growth of the fog layer. This particular configuration, featuring a convective mixed layer beneath a stably stratified inversion layer, exemplifies a classic case of penetrative convection. In this study, we conduct numerical simulations of the penetrative convection phenomenon within the nocturnal atmospheric surface layer and elucidate its relevance to the dynamics of fog layers. We employ field and laboratory measurements of aerosol number density to model the strength of the radiative cooling. Our analysis encompasses horizontally averaged, vertical profiles of temperature, density, and heat flux. The energetic incursion of the air from the mixed layer into the stable inversion layer across the interface results in entrainment and the growth of the mixed layer, modeling of which is the key focus of our investigation. In our research, we ascertain the appropriate length scale to employ in the Richardson number correlation, which allows us to estimate the entrainment rate and model the growth of the mixed layer. Our analysis of the mixed layer and the entrainment zone reveals a close alignment with previously reported laboratory experiments on penetrative convection. Additionally, we demonstrate how aerosol number density influences the growth or decay of the mixed layer. Furthermore, our study suggests that the presence of fog near the ground surface can induce extensive vertical mixing, a phenomenon observed in field experiments.

Keywords: inversion layer, penetrative convection, radiative cooling, fog occurrence

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3888 Comparative Analysis of Mechanical Properties of Paddy Rice for Different Variety-Moisture Content Interactions

Authors: Johnson Opoku-Asante, Emmanuel Bobobee, Joseph Akowuah, Eric Amoah Asante

Abstract:

In recent years, the issue of postharvest losses has become a serious concern in Sub-Saharan Africa. Postharvest technology development and adaptation need urgent attention, particularly for small and medium-scale rice farmers in Africa. However, to better develop any postharvest technology, knowledge of the mechanical properties of different varieties of paddy rice is vital. There is also the issue of the development of new rice cultivars. The objectives of this research are to (1) determine the mechanical properties of the selected paddy rice varieties at varying moisture content. (2) conduct a comparative analysis of the mechanical properties of selected rice paddy for different variety-moisture content interactions. (3) determine the significant statistical differences between the mean values of the various variety-moisture content interactions The mechanical properties of AGRA rice, CRI-Amankwatia, CRI-Enapa and CRI-Dartey, four local varieties developed by Crop Research Institute of Ghana are compared at 11.5%, 13.0% and 16.5% dry basis moisture content. The mechanical properties measured are Sphericity, Aspect ratio, Grain mass, 1000 Grain mass, Bulk Density, True Density, Porosity and Angle of Repose. Samples were collected from the Kwadaso Agric College of the CRI in Kumasi. The samples were threshed manually and winnowed before conducting the experiment. The moisture content was determined on a dry basis using the Moistex Screw-Type Digital Grain Moisture Meter. Other equipment used for data collection were venire calipers and Citizen electronic scale. A 4×3 factorial arrangement was used in a completely randomized design in three replications. Tukey's HSD comparisons test was conducted during data analysis to compare all possible pairwise combinations of the various varieties’ moisture content interaction. From the results, it was concluded that Sphericity recorded 0.391 mm³ to 0.377 mm³ for CRI-Dartey at 16.5% and CRI-Enapa at 13.5%, respectively, whereas Aspect Ratio recorded 0.298 mm³ to 0.269 mm³ for CRI-Dartey at 16.5% and CRI-Enapa at 13.5% respectively. For grain mass, AGRA rice at 13.0% also recorded 0.0312 g as the highest score and CRI-Enapa at 13.0% obtained 0.0237 as the lowest score. For the GM1000, it was observed that it ranges from 29.33 g for CRI-Amankwatia at 16.5% moisture content to 22.54 g for CRI-Enapa at 16.5% interactions. Bulk Density ranged from 654.0 kg/m³ to 422.9 kg/m³ for CRI-Amankwatia at 16.5% and CRI-Enapa at 11.5% as the highest and lowest recordings, respectively. It was also observed that the true Density ranges from 1685.8 kg/m3 for AGRA rice at 13.0% moisture content to 1352.5 kg/m³ for CRI-Enapa at 16.5% interactions. In the case of porosity, CRI-Enapa at 11.5% received the highest score of 70.83% and CRI-Amankwatia at 16.5 received the lowest score of 55.88%. Finally, in the case of Angle of Repose, CRI-Amankwatia at 16.5% recorded the highest score of 47.3o and CRI-Enapa at 11.5% recorded the least score of 34.27o. In all cases, the difference in mean value was less than the LSD. This indicates that there were no significant statistical differences between their mean values, indicating that technologies developed and adapted for one variety can equally be used for all the other varieties.

Keywords: angle of repose, aspect ratio, bulk density, porosity, sphericity, mechanical properties

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3887 Biomechanical Prediction of Veins and Soft Tissues beneath Compression Stockings Using Fluid-Solid Interaction Model

Authors: Chongyang Ye, Rong Liu

Abstract:

Elastic compression stockings (ECSs) have been widely applied in prophylaxis and treatment of chronic venous insufficiency of lower extremities. The medical function of ECS is to improve venous return and increase muscular pumping action to facilitate blood circulation, which is largely determined by the complex interaction between the ECS and lower limb tissues. Understanding the mechanical transmission of ECS along the skin surface, deeper tissues, and vascular system is essential to assess the effectiveness of the ECSs. In this study, a three-dimensional (3D) finite element (FE) model of the leg-ECS system integrated with a 3D fluid-solid interaction (FSI) model of the leg-vein system was constructed to analyze the biomechanical properties of veins and soft tissues under different ECS compression. The Magnetic Resonance Imaging (MRI) of the human leg was divided into three regions, including soft tissues, bones (tibia and fibula) and veins (peroneal vein, great saphenous vein, and small saphenous vein). The ECSs with pressure ranges from 15 to 26 mmHg (Classes I and II) were adopted in the developed FE-FSI model. The soft tissue was assumed as a Neo-Hookean hyperelastic model with the fixed bones, and the ECSs were regarded as an orthotropic elastic shell. The interfacial pressure and stress transmission were simulated by the FE model, and venous hemodynamics properties were simulated by the FSI model. The experimental validation indicated that the simulated interfacial pressure distributions were in accordance with the pressure measurement results. The developed model can be used to predict interfacial pressure, stress transmission, and venous hemodynamics exerted by ECSs and optimize the structure and materials properties of ECSs design, thus improving the efficiency of compression therapy.

Keywords: elastic compression stockings, fluid-solid interaction, tissue and vein properties, prediction

Procedia PDF Downloads 113
3886 Biomechanical Assessment of Esophageal Elongation

Authors: Marta Kozuń, Krystian Toczewski, Sylwester Gerus, Justyna Wolicka, Kamila Boberek, Jarosław Filipiak, Dariusz Patkowski

Abstract:

Long gap esophageal atresia is a congenital defect and is a challenge for pediatric surgeons all over the world. There are different surgical techniques in use to treat atresia. One of them is esophageal elongation but the optimal suture placement technique to achieve maximum elongation with low-risk complications is still unknown. The aim of the study was to characterize the process of esophageal elongation from the biomechanical point of view. Esophagi of white Pekin Duck was used as a model based on the size of this animal which is similar to a newborn (2.5-4kg). The specimens were divided into two groups: the control group (CG) and the group with sutures (SG). The esophagi of the control group were mounted in the grips of the MTS Tytron 250 testing machine and tensile test until rupture was performed. The loading speed during the test was 10mm/min. Then the SG group was tested. Each esophagus was cut into two equal parts and that were fused together using surgical sutures. The distance between both esophagus parts was 20mm. Ten both ends were mounted on the same testing machine and the tensile test with the same parameters was conducted. For all specimens, force and elongation were recorded. The biomechanical properties, i.e., the maximal force and maximal elongation, were determined on the basis of force-elongation curves. The maximal elongation was determined at the point of maximal force. The force achieved with the suture group was 10.1N±1.9N and 50.3N±11.6N for the control group. The highest elongation was also obtained for the control group: 18mm±3mm vs. 13.5mm ±2.4mm for the suture group. The presented study expands the knowledge of elongation of esophagi. It is worth emphasizing that the duck esophagus differs from the esophagus of a newborn, i.e., its wall lacks striated muscle cells. This is why the parts of animal esophagi used in the research are may characterized by different biomechanical properties in comparison with newborn tissue.

Keywords: long gap atresia treatment, esophageal elongation, biomechanical properties, soft tissue

Procedia PDF Downloads 100
3885 An Investigation on Energy Absorption Capacity of a Composite Metal Foam Developed from Aluminum by Reinforcing with Cermet Hollow Spheres

Authors: Fisseha Zewdie, Naresh Bhatnagar

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Lightweight and strong aluminum foam is developed by reinforcing Al-Si-Cu alloy (LM24) with Cermet Hollow Spheres (CHS) as porous creating agents. The foam samples were prepared by mixing the CHS in molten LM24 at 750°C, using gravity and stir casting. The CHSs were fabricated using a blend of silicon carbide and stainless-steel powders using the powder metallurgy technique. It was found that CHS reinforcement greatly enhances the performance of the composite metal foam, making it suitable for high impact loading applications such as crash protection and shock absorption. This study examined the strength, density, energy absorption and possible applications of the new aluminum foam. The results revealed that the LM24 foam reinforced with the CHS has the highest energy absorption of about 88 MJ/m3 among all categories of foam samples tested. Its density was found to be 1.3 g/cm3, while the strength, densification strains and porosity were 420 MPa, 34% and 70%, respectively. Besides, the matrix and reinforcement's microstructure, chemical composition, X-ray diffraction, HRTEM and related micrographic analyses are performed for characterization and verifications.

Keywords: composite metal foam, hollow spheres, gravity casting, energy absorption

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3884 Rheological and Morphological Properties of Investment Casting Pattern Material Based on Paraffin Wax Fortified with Linear Low-Density Polyethylene and Filled with Poly Methyl Methacrylate

Authors: Robert Kimutai Tewo, Hilary Limo Rutto, Tumisang Seodigeng

Abstract:

The rheological and morphological properties of paraffin wax, linear low-density polyethylene (LLDPE), and poly (methyl methacrylate) (PMMA) microbeads formulations were prepared via an extrusion process. The blends were characterized by rheometry, scanning electron microscopy (SEM), and Fourier transform infrared (FTIR) spectroscopy. The results indicated that the viscosity of the blends increased as compared to that of neat wax. SEM confirmed that LLDPE alters the wax crystal habit at higher concentrations. The rheological experimental data fitted with predicted data using the modified Krieger and Dougherty expression. The SEM micrograph of wax/LLDPE/PMMA revealed a near-perfect spherical nature for the filler particles in the wax/EVA polymer matrix. The FT-IR spectra show the deformation vibrations stretch of a long-chain aliphatic hydrocarbon (C-H) and also the presence of carbonyls absorption group denoted by -C=O- stretch.

Keywords: investment casting pattern, paraffin wax, LLDPE, PMMA, rheological properties, modified Krieger and Dougherty expression

Procedia PDF Downloads 170
3883 Molecular Electrostatic Potential in Z-3N(2-Ethoxyphenyl), 2-N'(2-Ethoxyphenyl) Imino Thiazolidin-4-one Molecule by Ab Initio and DFT Methods

Authors: Manel Boulakoud, Abdelkader Chouaih, Fodil Hamzaoui

Abstract:

In the present work we are interested in the determination of the Molecular electrostatic potential (MEP) in Z-3N(2-Ethoxyphenyl), 2-N’(2-Ethoxyphenyl) imino thiazolidin-4-one molecule by ab initio and Density Functional Theory (DFT) in the ground state. The MEP is related to the electronic density and is a very useful descriptor in understanding sites for electrophilic attack and nucleophilic reactions as well as hydrogen bonding interactions. First, geometry optimization was carried out using Hartree–Fock (HF) and DFT methods with 6-311G(d,p) basis set. In order to get more information on the molecule, its stability has been analyzed by natural bond orbital (NBO) analysis. Mulliken population analyses have been calculated. Finally, the molecular electrostatic potential (MEP) and HOMO-LUMO energy levels have been performed. The calculated HOMO and LUMO energies show also the charge transfer within the molecule. The energy gap obtained is about 4 eV which explain the stability of the studied compound. The obtained molecular electrostatic potential from the two methods confirms the nature of the electron charge transfer at the molecular shell and locate the electropositive part and the electronegative part in molecular scale of the title compound.

Keywords: DFT, ab initio, HOMO-LUMO, organic compounds

Procedia PDF Downloads 537