Search results for: structural induction
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 5030

Search results for: structural induction

3710 Investigation of Magnetic and Magneto-Optical Properties of Copper Cobalt Ferrite Nanoparticles

Authors: Mohammad Moradi

Abstract:

In this study, copper cobalt ferrite nanoparticles were synthesized by the chemical formula Co1- xCuxFe2O4 and (x = 0, 0.2, 0.4, 0.6, 0.8, 1) by co-precipitation method. The X-ray diffraction pattern of the samples confirmed the single-phase spinel structure of the fabricated nanoparticles, and the average size of the crystals was calculated from the entire width of the diffraction peak with the highest intensity and Scherrer’s equation. Using transmission electron microscope images, the nanoparticle size was about 10 nm. The magnetic properties of copper cobalt ferrite nanoparticles were measured by Alternative Gradient Force Magnetometer (AGFM), and it was seen that with increasing substitution of copper Cations instead of cobalt Cations in the samples, the amount of induction decreased and the saturation magnetization first increased and then decreased. In order to investigate Faraday’s effect on copper-cobalt ferrite nanoparticles, the transmittance values were measured using a laboratory experiment and their graphs were plotted in terms of the applied magnetic field, all of which were in agreement with the theory. In addition, transmittance was investigated for two angular positions of the analyzer at -45˚ and +45˚ in different fields.

Keywords: magnetic nanoparticles, Ferrite co-precipitation, Faraday rotation, magneto- optical property

Procedia PDF Downloads 6
3709 Observation on the Performance of Heritage Structures in Kathmandu Valley, Nepal during the 2015 Gorkha Earthquake

Authors: K. C. Apil, Keshab Sharma, Bigul Pokharel

Abstract:

Kathmandu Valley, capital city of Nepal houses numerous historical monuments as well as religious structures which are as old as from the 4th century A.D. The city alone is home to seven UNESCO’s world heritage sites including various public squares and religious sanctums which are often regarded as living heritages by various historians and archeological explorers. Recently on April 25, 2015, the capital city including other nearby locations was struck with Gorkha earthquake of moment magnitude (Mw) 7.8, followed by the strongest aftershock of moment magnitude (Mw) 7.3 on May 12. This study reports structural failures and collapse of heritage structures in Kathmandu Valley during the earthquake and presents preliminary findings as to the causes of failures and collapses. Field reconnaissance was carried immediately after the main shock and the aftershock, in major heritage sites: UNESCO world heritage sites, a number of temples and historic buildings in Kathmandu Durbar Square, Patan Durbar Square, and Bhaktapur Durbar Square. Despite such catastrophe, a significant number of heritage structures stood high, performing very well during the earthquake. Preliminary reports from archeological department suggest that 721 of such structures were severely affected, whereas numbers within the valley only were 444 including 76 structures which were completely collapsed. This study presents recorded accelerograms and geology of Kathmandu Valley. Structural typology and architecture of the heritage structures in Kathmandu Valley are briefly described. Case histories of damaged heritage structures, the patterns, and the failure mechanisms are also discussed in this paper. It was observed that performance of heritage structures was influenced by the multiple factors such as structural and architecture typology, configuration, and structural deficiency, local ground site effects and ground motion characteristics, age and maintenance level, material quality etc. Most of such heritage structures are of masonry type using bricks and earth-mortar as a bonding agent. The walls' resistance is mainly compressive, thus capable of withstanding vertical static gravitational load but not horizontal dynamic seismic load. There was no definitive pattern of damage to heritage structures as most of them behaved as a composite structure. Some structures were extensively damaged in some locations, while structures with similar configuration at nearby location had little or no damage. Out of major heritage structures, Dome, Pagoda (2, 3 or 5 tiered temples) and Shikhara structures were studied with similar variables. Studying varying degrees of damages in such structures, it was found that Shikhara structures were most vulnerable one where Dome structures were found to be the most stable one, followed by Pagoda structures. The seismic performance of the masonry-timber and stone masonry structures were slightly better than that of the masonry structures. Regular maintenance and periodic seismic retrofitting seems to have played pivotal role in strengthening seismic performance of the structure. The study also recommends some key functions to strengthen the seismic performance of such structures through study based on structural analysis, building material behavior and retrofitting details. The result also recognises the importance of documentation of traditional knowledge and its revised transformation in modern technology.

Keywords: Gorkha earthquake, field observation, heritage structure, seismic performance, masonry building

Procedia PDF Downloads 154
3708 Using Structural Equation Modeling to Analyze the Impact of Remote Work on Job Satisfaction

Authors: Florian Pfeffel, Valentin Nickolai, Christian Louis Kühner

Abstract:

Digitalization has disrupted the traditional workplace environment by allowing many employees to work from anywhere at any time. This trend of working from home was further accelerated due to the COVID-19 crisis, which forced companies to rethink their workplace models. While in many companies, this shift happened out of pure necessity; many employees were left more satisfied with their job due to the opportunity to work from home. This study focuses on employees’ job satisfaction in the service sector in dependence on the different work models, which are defined as a “work from home” model, the traditional “work in office” model, and a hybrid model. Using structural equation modeling (SEM), these three work models have been analyzed based on 13 influencing factors on job satisfaction that have been further summarized in the three groups “classic influencing factors”, “influencing factors changed by remote working”, and “new remote working influencing factors”. Based on the influencing factors on job satisfaction, a survey has been conducted with n = 684 employees in the service sector. Cronbach’s alpha of the individual constructs was shown to be suitable. Furthermore, the construct validity of the constructs was confirmed by face validity, content validity, convergent validity (AVE > 0.5: CR > 0.7), and discriminant validity. Additionally, confirmatory factor analysis (CFA) confirmed the model fit for the investigated sample (CMIN/DF: 2.567; CFI: 0.927; RMSEA: 0.048). The SEM-analysis has shown that the most significant influencing factor on job satisfaction is “identification with the work” with β = 0.540, followed by “Appreciation” (β = 0.151), “Compensation” (β = 0.124), “Work-Life-Balance” (β = 0.116), and “Communication and Exchange of Information” (β = 0.105). While the significance of each factor can vary depending on the work model, the SEM-analysis shows that the identification with the work is the most significant factor in all three work models and, in the case of the traditional office work model, it is the only significant influencing factor. The study shows that employees who work entirely remotely or have a hybrid work model are significantly more satisfied with their job, with a job satisfaction score of 5.0 respectively on a scale from 1 (very dissatisfied) to 7 (very satisfied), than employees do not have the option to work from home with a score of 4.6. This comes as a result of the lower identification with the work in the model without any remote working. Furthermore, the responses indicate that it is important to consider the individual preferences of each employee when it comes to the work model to achieve overall higher job satisfaction. Thus, it can be argued that companies can profit off of more motivation and higher productivity by considering the individual work model preferences, therefore, increasing the identification with the respective work.

Keywords: home-office, identification with work, job satisfaction, new work, remote work, structural equation modeling

Procedia PDF Downloads 85
3707 Analytical and Experimental Evaluation of Effects of Nonstructural Brick Walls on Earthquake Response of Reinforced Concrete Structures

Authors: Hasan Husnu Korkmaz, Serra Zerrin Korkmaz

Abstract:

The reinforced concrete (RC) framed structures composed of beams, columns, shear walls and the slabs. The other members are assumed to be nonstructural. Especially the brick infill walls which are used to separate the rooms or spaces are just handled as dead loads. On the other hand, if these infills are constructed within the frame bays, they also have higher shear and compression capacities. It is a well-known fact that, brick infills increase the lateral rigidity of the structure and thought to be a reserve capacity in the design. But, brick infills can create unfavorable failure or damage modes in the earthquake action such as soft story or short columns. The increase in the lateral rigidity also causes an over estimation of natural period of the structure and the corresponding earthquake loads in the design are less than the actual ones. In order to obtain accurate and realistic design results, the infills must be modelled in the structural design and their capacities must be included. Unfortunately, in Turkish Earthquake Code, there is no design methodology for the engineers. In this paper, finite element modelling of infilled reinforced concrete structures are studied. The proposed or used method is compared with the experimental results of a previous study. The effect of infills on the structural response is expressed within the paper.

Keywords: seismic loading, brick infills, finite element analysis, reinforced concrete, earthquake code

Procedia PDF Downloads 314
3706 Distributional and Dynamic impact of Energy Subsidy Reform

Authors: Ali Hojati Najafabadi, Mohamad Hosein Rahmati, Seyed Ali Madanizadeh

Abstract:

Governments execute energy subsidy reforms by either increasing energy prices or reducing energy price dispersion. These policies make less use of energy per plant (intensive margin), vary the total number of firms (extensive margin), promote technological progress (technology channel), and make additional resources to redistribute (resource channel). We estimate a structural dynamic firm model with endogenous technology adaptation using data from the manufacturing firms in Iran and a country ranked the second-largest energy subsidy plan by the IMF. The findings show significant dynamics and distributional effects due to an energy reform plan. The price elasticity of energy consumption in the industrial sector is about -2.34, while it is -3.98 for large firms. The dispersion elasticity, defined as the amounts of changes in energy consumption by a one-percent reduction in the standard error of energy price distribution, is about 1.43, suggesting significant room for a distributional policy. We show that the intensive margin is the main driver of energy price elasticity, whereas the other channels mostly offset it. In contrast, the labor response is mainly through the extensive margin. Total factor productivity slightly improves in light of the reduction in energy consumption if, at the same time, the redistribution policy boosts the aggregate demands.

Keywords: energy reform, firm dynamics, structural estimation, subsidy policy

Procedia PDF Downloads 97
3705 Growth Model and Properties of a 3D Carbon Aerogel

Authors: J. Marx, D. Smazna, R. Adelung, B. Fiedler

Abstract:

Aerographite is a 3D interconnected carbon foam. Its tetrapodal morphology is based on the zinc oxide (ZnO) template structure, which is replicated in the chemical vapour deposition (CVD) into a hollow carbon structure. This replication process is analyzed in ex-situ studies via interrupted synthesis and the observation of the reaction progress by using scanning electron (SEM), transmission electron microscopy (TEM) and Raman spectroscopy techniques. Based on the epitaxial growth process, with a layer-by-layer growth behaviour of the wall thickness or number of layers and the catalytical graphitization of the deposited amorphous carbon into graphitic carbon by zinc, a growth model is created. The properties of aerographite, such as the electrical conductivity is dependent on the graphitization and number of layer (wall thickness). Wall thicknesses between 3 nm and 22 nm are achieved by a controlled stepwise reduction of the synthesis time on the basis of the developed growth model, and by a further thermal treatment at 1800 °C the graphitization of the presented carbon foam is modified. The variation of the wall thickness leads to an optimum defect density (ID/IG ratio) and the graphitization to an improvement in the electrical conductivity. Furthermore, a metallic conducting behaviour of untreated and 1800 °C treated aerographite can be observed. Due to these structural and defective modifications, a fundamental structural-property equation for the description of their influences on the electrical conductivity is developed.

Keywords: electrical conductivity, electron microscopy (SEM/TEM), graphitization, wall thickness

Procedia PDF Downloads 158
3704 Defective Autophagy Disturbs Neural Migration and Network Activity in hiPSC-Derived Cockayne Syndrome B Disease Models

Authors: Julia Kapr, Andrea Rossi, Haribaskar Ramachandran, Marius Pollet, Ilka Egger, Selina Dangeleit, Katharina Koch, Jean Krutmann, Ellen Fritsche

Abstract:

It is widely acknowledged that animal models do not always represent human disease. Especially human brain development is difficult to model in animals due to a variety of structural and functional species-specificities. This causes significant discrepancies between predicted and apparent drug efficacies in clinical trials and their subsequent failure. Emerging alternatives based on 3D in vitro approaches, such as human brain spheres or organoids, may in the future reduce and ultimately replace animal models. Here, we present a human induced pluripotent stem cell (hiPSC)-based 3D neural in a vitro disease model for the Cockayne Syndrome B (CSB). CSB is a rare hereditary disease and is accompanied by severe neurologic defects, such as microcephaly, ataxia and intellectual disability, with currently no treatment options. Therefore, the aim of this study is to investigate the molecular and cellular defects found in neural hiPSC-derived CSB models. Understanding the underlying pathology of CSB enables the development of treatment options. The two CSB models used in this study comprise a patient-derived hiPSC line and its isogenic control as well as a CSB-deficient cell line based on a healthy hiPSC line (IMR90-4) background thereby excluding genetic background-related effects. Neurally induced and differentiated brain sphere cultures were characterized via RNA Sequencing, western blot (WB), immunocytochemistry (ICC) and multielectrode arrays (MEAs). CSB-deficiency leads to an altered gene expression of markers for autophagy, focal adhesion and neural network formation. Cell migration was significantly reduced and electrical activity was significantly increased in the disease cell lines. These data hint that the cellular pathologies is possibly underlying CSB. By induction of autophagy, the migration phenotype could be partially rescued, suggesting a crucial role of disturbed autophagy in defective neural migration of the disease lines. Altered autophagy may also lead to inefficient mitophagy. Accordingly, disease cell lines were shown to have a lower mitochondrial base activity and a higher susceptibility to mitochondrial stress induced by rotenone. Since mitochondria play an important role in neurotransmitter cycling, we suggest that defective mitochondria may lead to altered electrical activity in the disease cell lines. Failure to clear the defective mitochondria by mitophagy and thus missing initiation cues for new mitochondrial production could potentiate this problem. With our data, we aim at establishing a disease adverse outcome pathway (AOP), thereby adding to the in-depth understanding of this multi-faced disorder and subsequently contributing to alternative drug development.

Keywords: autophagy, disease modeling, in vitro, pluripotent stem cells

Procedia PDF Downloads 121
3703 Genistein Treatment Confers Protection Against Gliopathy & Vasculopathy of the Diabetic Retina in Rats

Authors: Sanaa AM Elgayar, Sohair A Eltony, Maha Mahmoud Abd El Rouf

Abstract:

Background: Retinopathy remains an important complication of diabetes. Aim of work: This work was carried out to evaluate the protective effects of genistein from diabetic retinopathy in rat. Material and Methods: Fifteen adult male albino rats were divided into two groups; Group I: control (n=5) and Group II: streptozotocin induced diabetic group (n=10), which is equally divided into two subgroups; IIa (diabetic vehicle control) and IIb (diabetic genistein-treated). Specimens were taken from the retina 12 weeks post induction, processed and examined using light, immunohistochemical, ultrastructural techniques. Blood samples were assayed for the levels of glucose. Results: In comparison with the diabetic non-treated group, the histological changes in macro and microglial glial cells reactivity and retinal blood capillaries were improved in genistein-treated groups. In addition, GFAP and iNOS expressions in the retina and the blood glucose level were reduced. Conclusion: Genistein ameliorates the histological changes of diabetic retinopathy reaching healing features, which resemble that of a normal retina.

Keywords: diabetic retinopathy, genistein, glia, capillaries.

Procedia PDF Downloads 316
3702 Correlation of Residential Community Layout and Neighborhood Relationship: A Morphological Analysis of Tainan Using Space Syntax

Authors: Ping-Hung Chen, Han-Liang Lin

Abstract:

Taiwan has formed diverse settlement patterns in different time and space backgrounds. Various socio-network links are created between individuals, families, communities, and societies, and different living cultures are also derived. But rapid urbanization and social structural change have caused the creation of densely-packed assembly housing complexes and made neighborhood community upward developed. This, among others, seemed to have affected neighborhood relationship and also created social problems. To understand the complex relations and socio-spatial structure of the community, it is important to use mixed methods. This research employs the theory of space syntax to analyze the layout and structural indicators of the selected communities in Tainan city. On the other hand, this research does the survey about residents' interactions and the sense of community by questionnaire of the selected communities. Then the mean values of the syntax measures from each community were correlated with the results of the questionnaire using a Pearson correlation to examine how elements in physical design affect the sense of community and neighborhood relationship. In Taiwan, most urban morphology research methods are qualitative study. This paper tries to use space syntax to find out the correlation between the community layout and the neighborhood relationship. The result of this study could be used in future studies or improve the quality of residential communities in Taiwan.

Keywords: community layout, neighborhood relationship, space syntax, mixed-method

Procedia PDF Downloads 199
3701 Structural, Magnetic, Dielectric and Electrical Properties of Gd3+ Doped Cobalt Ferrite Nanoparticles

Authors: Raghvendra Singh Yadav, Ivo Kuřitka, Jarmila Vilcakova, Jaromir Havlica, Lukas Kalina, Pavel Urbánek, Michal Machovsky, Milan Masař, Martin Holek

Abstract:

In this work, CoFe₂₋ₓGdₓO₄ (x=0.00, 0.05, 0.10, 0.15, 0.20) spinel ferrite nanoparticles are synthesized by sonochemical method. The structural properties and cation distribution are investigated using X-ray Diffraction (XRD), Raman Spectroscopy, Fourier Transform Infrared Spectroscopy and X-ray photoelectron spectroscopy. The morphology and elemental analysis are screened using field emission scanning electron microscopy (FE-SEM) and energy dispersive X-ray spectroscopy, respectively. The particle size measured by FE-SEM and XRD analysis confirm the formation of nanoparticles in the range of 7-10 nm. The electrical properties show that the Gd³⁺ doped cobalt ferrite (CoFe₂₋ₓGdₓO₄; x= 0.20) exhibit enhanced dielectric constant (277 at 100 Hz) and ac conductivity (20.17 x 10⁻⁹ S/cm at 100 Hz). The complex impedance measurement study reveals that as Gd³⁺ doping concentration increases, the impedance Z’ and Z’ ’ decreases. The influence of Gd³⁺ doping in cobalt ferrite nanoparticles on the magnetic property is examined by using vibrating sample magnetometer. Magnetic property measurement reveal that the coercivity decreases with Gd³⁺ substitution from 234.32 Oe (x=0.00) to 12.60 Oe (x=0.05) and further increases from 12.60 Oe (x=0.05) to 68.62 Oe (x=0.20). The saturation magnetization decreases with Gd³⁺ substitution from 40.19 emu/g (x=0.00) to 21.58 emu/g (x=0.20). This decrease follows the three-sublattice model suggested by Yafet-Kittel (Y-K). The Y-K angle increases with the increase of Gd³⁺ doping in cobalt ferrite nanoparticles.

Keywords: sonochemical method, nanoparticles, magnetic property, dielectric property, electrical property

Procedia PDF Downloads 358
3700 Imidocloprid as a Systemic-Acquired Resistant (SAR) Inducer in Nicotiana tabacum Var. Samsun NN Infected with Tobacco Mild Green Mosaic Virus

Authors: Mohammad Reza Hossein Zadeh

Abstract:

Plants have different layers of defense responses against biotic and abiotic stresses. One of the well-defined defense mechanism in plants is systemic acquired resistance (SAR) against a broad-range of pathogens. Salicylic acid (SA) plays a crucial role in regulation of the SAR pathway. It has been proved that Chemically SA-like compounds can mimic the SA signaling role. Imidocloprid is an insecticide being used to control whiteflies on crop plants. In order to study the possible role of Imidocloprid as an elicitor of SAR in plants, experiments were conducted in a completely randomized design frame with three treatments and duplicates on the detached leaves and whole Nicotiana tabacum var. Samsun NN. plants inoculated with Tobacco mild green mosaic virus (TMGMV). Compared with the effect of other SAR-inducers such as SA, Imidoclorid conferred a robust SAR induction in the infected plants. The results suggested that Imidocloprid even more powerful than SA can be considered as strong SAR inducer in the infected plants with viruses, which develop the local lesion symptoms.

Keywords: imidocloprid, Nicotiana tabacum var. Samsun NN, SAR, tobacco mild green, mosaic virus

Procedia PDF Downloads 589
3699 Magnetic Survey for the Delineation of Concrete Pillars in Geotechnical Investigation for Site Characterization

Authors: Nuraddeen Usman, Khiruddin Abdullah, Mohd Nawawi, Amin Khalil Ismail

Abstract:

A magnetic survey is carried out in order to locate the remains of construction items, specifically concrete pillars. The conventional Euler deconvolution technique can perform the task but it requires the use of fixed structural index (SI) and the construction items are made of materials with different shapes which require different SI (unknown). A Euler deconvolution technique that estimate background, horizontal coordinate (xo and yo), depth and structural index (SI) simultaneously is prepared and used for this task. The synthetic model study carried indicated the new methodology can give a good estimate of location and does not depend on magnetic latitude. For field data, both the total magnetic field and gradiometer reading had been collected simultaneously. The computed vertical derivatives and gradiometer readings are compared and they have shown good correlation signifying the effectiveness of the method. The filtering is carried out using automated procedure, analytic signal and other traditional techniques. The clustered depth solutions coincided with the high amplitude/values of analytic signal and these are the possible target positions of the concrete pillars being sought. The targets under investigation are interpreted to be located at the depth between 2.8 to 9.4 meters. More follow up survey is recommended as this mark the preliminary stage of the work.

Keywords: concrete pillar, magnetic survey, geotechnical investigation, Euler Deconvolution

Procedia PDF Downloads 263
3698 Sustainability in Hospitality: An Inevitable Necessity in New Age with Big Environmental Challenges

Authors: Majid Alizadeh, Sina Nematizadeh, Hassan Esmailpour

Abstract:

The mutual effects of hospitality and the environment are undeniable, so that the tourism industry has major harmful effects on the environment. Hotels, as one of the most important pillars of the hospitality industry, have significant effects on the environment. Green marketing is a promising strategy in response to the growing concerns about the environment. A green hotel marketing model was proposed using a grounded theory approach in the hotel industry. The study was carried out as a mixed method study. Data gathering in the qualitative phase was done through literature review and In-depth, semi-structured interviews with 10 experts in green marketing using snowball technique. Following primary analysis, open, axial, and selective coding was done on the data, which yielded 69 concepts, 18 categories and six dimensions. Green hotel (green product) was adopted as the core phenomenon. In the quantitative phase, data were gleaned using 384 questionnaires filled-out by hotel guests and descriptive statistics and Structural equation modeling (SEM) were used for data analysis. The results indicated that the mediating role of behavioral response between the ecological literacy, trust, marketing mix and performance was significant. The green marketing mix, as a strategy, had a significant and positive effect on guests’ behavioral response, corporate green image, and financial and environmental performance of hotels.

Keywords: green marketing, sustainable development, hospitality, grounded theory, structural equations model

Procedia PDF Downloads 83
3697 Investigation of Mode II Fracture Toughness in Orthotropic Materials

Authors: Mahdi Fakoor, Nabi Mehri Khansari, Ahmadreza Farokhi

Abstract:

Evaluation of mode II fracture toughness (KIIC) in composite materials is very hard problem to be solved, since it can be affected by many mechanisms of dissipation. Furthermore, non-linearity in its behavior can offer an extra difficulty to obtain accuracy in the results. Different reported values for KIIC in various references can prove the mentioned assertion. In this research, some solutions proposed based on the form of necessary corrections that should be executed on the common test fixtures. Due to the fact that the common test fixtures are not able to active toughening mechanisms in pure Mode II correctly, we have employed some structural modifications on common fixtures. Particularly, the Iosipescu test is used as start point. The tests are applied on graphite/epoxy; PMMA and Western White Pine Wood. Also, mixed mode I/II fracture limit curves are used to indicate the scattering in test results are really relevant to the creation of Fracture Process Zone (FPZ). In the present paper, shear load consideration applied at the predicted shear zone by considering some significant structural amendments that can active mode II toughening mechanisms. Indeed, the employed empirical method causes significant developing in repeatability and reproducibility as well. Moreover, a 3D Finite Element (FE) is performed for verification of the obtained results. Eventually, it is figured out that, a remarkable precision can be obtained in common test fixture in comparison with the previous one.

Keywords: FPZ, shear test fixture, mode II fracture toughness, composite material, FEM

Procedia PDF Downloads 364
3696 Analgesic and Antipyretic Activity of Thunbergia laurifolia Lindl. Extract

Authors: Nantawan Soonklang, Linda Chularojanamontri, Urarat Nanna

Abstract:

Ethnopharmacological relevance: Thunbergia laurifolia Lindl. belongs to the family Acanthaceae commonly known as Rang jeud in Thailand. This plant is traditionally used in Thailand for centuries as an antidote for several poisons and drug overdose. Aim of the study: This research aimed to study the analgesic and antipyretic activities of T. laurifolia water extract by using animal models. Materials and Methods: The analgesic activity was studied using 2 methods of pain induction including acetic acid and heat induced pain. And the antipyretic activity study was performed by yeast-induced hyperthermia. Results: The results showed that the administration of T. laurifolia extract possessed analgesic activity by reducing acetic acid-induced writhing response and heat-induced pain as well as showed antipyretic activity by decreasing body temperature of hyperthermic rats induced by brewer’s yeast. Conclusion: The study indicates that the T. laurifolia extract possesses analgesic and antipyretic activities in animals.

Keywords: Thunbergia laurifolia extract, analgesic activity, antipyretic activity, hyperthermia

Procedia PDF Downloads 386
3695 Modern Agriculture and Employment Generation in Nigeria: A Recursive Model Approach

Authors: Ese Urhie, Olabisi Popoola, Obindah Gershon

Abstract:

Several policies and programs initiated to address the challenge of unemployment in Nigeria seem to be inadequate. The desired structural transformation which is expected to absorb the excess labour in the economy is yet to be achieved. The agricultural sector accounts for almost half of the labour force with very low productivity. This could partly explain why the much anticipated structural transformation has not been achieved. A major reason for the low productivity is the fact that the production process is predominantly based on the use of traditional tools. In view of the underdeveloped nature of the agricultural sector, Nigeria still has huge potentials for productivity enhancement through modern technology. Aside from productivity enhancement, modern agriculture also stimulates both backward and forward linkages that promote investment and thus generate employment. Contrary to the apprehension usually expressed by many stake-holders about the adoption of modern technology by labour-abundant less-developed countries, this study showed that though there will be job loss initially, the reverse will be the case in the long-run. The outcome of this study will enhance the understanding of all stakeholders in the sector and also encourage them to adopt modern techniques of farming. It will also aid policy formulation at both sectoral and national levels. The recursive model and analysis adopted in the study is useful because it exhibits a unilateral cause-and-effect relationship which most simultaneous equation models do not. It enables the structural equations to be ordered in such a way that the first equation includes only predetermined variables on the right-hand side, while the solution for the final endogenous variable is completely determined by all equations of the system. The study examines the transmission channels and effect of modern agriculture on agricultural productivity and employment growth in Nigeria, via its forward and backward linkages. Using time series data spanning 1980 to 2014, the result of the analyses shows that: (i) a significant and positive relationship between agricultural productivity growth and modern agriculture; (ii) a significant and negative relationship between export price index and agricultural productivity growth; (iii) a significant and positive relationship between export and investment; and (iv) a significant and positive relationship between investment and employment growth. The unbalanced growth theory will be a good strategy to adopt by developing countries such as Nigeria.

Keywords: employment, modern agriculture, productivity, recursive model

Procedia PDF Downloads 270
3694 Morphological Characterization and Gas Permeation of Commercially Available Alumina Membrane

Authors: Ifeyinwa Orakwe, Ngozi Nwogu, Edward Gobina

Abstract:

This work presents experimental results relating to the structural characterization of a commercially available alumina membrane. A γ-alumina mesoporous tubular membrane has been used. Nitrogen adsorption-desorption, scanning electron microscopy and gas permeability test has been carried out on the alumina membrane to characterize its structural features. Scanning electron microscopy (SEM) was used to determine the pore size distribution of the membrane. Pore size, specific surface area and pore size distribution were also determined with the use of the Nitrogen adsorption-desorption instrument. Gas permeation tests were carried out on the membrane using a variety of single and mixed gases. The permeabilities at different pressure between 0.05-1 bar and temperature range of 25-200oC were used for the single and mixed gases: nitrogen (N2), helium (He), oxygen (O2), carbon dioxide (CO2), 14%CO₂/N₂, 60%CO₂/N₂, 30%CO₂/CH4 and 21%O₂/N₂. Plots of flow rate verses pressure were obtained. Results got showed the effect of temperature on the permeation rate of the various gases. At 0.5 bar for example, the flow rate for N2 was relatively constant before decreasing with an increase in temperature, while for O2, it continuously decreased with an increase in temperature. In the case of 30%CO₂/CH4 and 14%CO₂/N₂, the flow rate showed an increase then a decrease with increase in temperature. The effect of temperature on the membrane performance of the various gases is presented and the influence of the trans membrane pressure drop will be discussed in this paper.

Keywords: alumina membrane, Nitrogen adsorption-desorption, scanning electron microscopy, gas permeation, temperature

Procedia PDF Downloads 325
3693 Computationally Efficient Stacking Sequence Blending for Composite Structures with a Large Number of Design Regions Using Cellular Automata

Authors: Ellen Van Den Oord, Julien Marie Jan Ferdinand Van Campen

Abstract:

This article introduces a computationally efficient method for stacking sequence blending of composite structures. The computational efficiency makes the presented method especially interesting for composite structures with a large number of design regions. Optimization of composite structures with an unequal load distribution may lead to locally optimized thicknesses and ply orientations that are incompatible with one another. Blending constraints can be enforced to achieve structural continuity. In literature, many methods can be found to implement structural continuity by means of stacking sequence blending in one way or another. The complexity of the problem makes the blending of a structure with a large number of adjacent design regions, and thus stacking sequences, prohibitive. In this work the local stacking sequence optimization is preconditioned using a method found in the literature that couples the mechanical behavior of the laminate, in the form of lamination parameters, to blending constraints, yielding near-optimal easy-to-blend designs. The preconditioned design is then fed to the scheme using cellular automata that have been developed by the authors. The method is applied to the benchmark 18-panel horseshoe blending problem to demonstrate its performance. The computational efficiency of the proposed method makes it especially suited for composite structures with a large number of design regions.

Keywords: composite, blending, optimization, lamination parameters

Procedia PDF Downloads 232
3692 Evaluation of Anticancer and Antioxidant Activity of Purified Lovastatin from Aspergillus terreus (KM017963)

Authors: Bhargavi Santebennur Dwarakanath, Praveen Vadakke Kamath, Savitha Janakiraman

Abstract:

Cervical cancer is one of the leading causes of mortality in women and is the second most common malignancy worldwide. Lovastatin, a non polar, anticholesterol drug which also exerts antitumour activity in vitro. In the present study, lovastatin from Aspergillus terreus (KM017963) was purified by adsoprtion chromatography and evaluated for its anticancer and anti-oxidant properties in human cervical cancer cell lines (HeLa). The growth inhibitory and proapoptotic effects of purified lovastatin on HeLa cell lines were investigated by determining its influence on cytotoxicity, Mitochondrial Membrane Potential (MMP), DNA fragmentation and antioxidant property (Hydroxy radical scavenging effect and the levels of total reduced glutathione). Flow cytometry analysis by propidium iodide staining confirmed the induction of apoptotic cell death and revealed cell cycle arrest at G0/G1 phase. Results of the study give leads for anticancer effects of lovastatin and its potential efficacy in the chemotherapy of cervical cancer.

Keywords: apoptosis, Aspergillus terreus, cervical cancer, lovastatin

Procedia PDF Downloads 308
3691 The Mechanism Study on the Difference between High and Low Voltage Performance of Li3V2(PO4)3

Authors: Enhui Wang, Qingzhu Ou, Yan Tang, Xiaodong Guo

Abstract:

As one of most popular polyanionic compounds in lithium-ion cathode materials, Li3V2(PO4)3 has always suffered from the low rate capability especially during 3~4.8V, which is considered to be related with the ion diffusion resistance and structural transformation during the Li+ de/intercalation. Here, as the change of cut-off voltages, cycling numbers and current densities, the process of SEI interfacial film’s formation-growing- destruction-repair on the surface of the cathode, the structural transformation during the charge and discharge, the de/intercalation kinetics reflected by the electrochemical impedance and the diffusion coefficient, have been investigated in detail. Current density, cycle numbers and cut-off voltage impacting on interfacial film and structure was studied specifically. Firstly, the matching between electrolyte and material was investigated, it turned out that the batteries with high voltage electrolyte showed the best electrochemical performance and high voltage electrolyte would be the best electrolyte. Secondly, AC impedance technology was used to study the changes of interface impedance and lithium ion diffusion coefficient, the results showed that current density, cycle numbers and cut-off voltage influenced the interfacial film together and the one who changed the interfacial properties most was the key factor. Scanning electron microscopy (SEM) analysis confirmed that the attenuation of discharge specific capacity was associated with the destruction and repair process of the SEI film. Thirdly, the X-ray diffraction was used to study the changes of structure, which was also impacted by current density, cycle numbers and cut-off voltage. The results indicated that the cell volume of Li3V2 (PO4 )3 increased as the current density increased; cycle numbers merely influenced the structure of material; the cell volume decreased first and moved back gradually after two Li-ion had been deintercalated as the charging cut-off voltage increased, and increased as the intercalation number of Li-ion increased during the discharging process. Then, the results which studied the changes of interface impedance and lithium ion diffusion coefficient turned out that the interface impedance and lithium ion diffusion coefficient increased when the cut-off voltage passed the voltage platforms and decreased when the cut-off voltage was between voltage platforms. Finally, three-electrode system was first adopted to test the activation energy of the system, the results indicated that the activation energy of the three-electrode system (22.385 KJ /mol) was much smaller than that of two-electrode system (40.064 KJ /mol).

Keywords: cut-off voltage, de/intercalation kinetics, solid electrolyte interphase film, structural transformation

Procedia PDF Downloads 300
3690 Synthesis, Structural, Magnetic, Optical, and Dielectric Characterization of Nickel-Substituted Cobalt Ferrite Nanoparticles and Potential Antibacterial Applications

Authors: Tesfay Gebremicheal Reda, K. Samatha, Paul Douglas Sanasi, D. Parajuli

Abstract:

Nanoparticle technology is fast progressing and is being employed in innumerable medical applications. At this time, the public's health is seriously threatened by the rise of bacterial strains resistant to several medications. Metal nanoparticles are a potential alternate approach for tackling this global concern, and this is the main focus of this study. The citrate precursor sol-gel synthesis method was used to synthesize the Niₓ Co₁₋ₓ Fe₂ O₄, (where x = 0.0:0.2:1.0) nanoparticle. XRD identified the development of the cubic crystal structure to have a preferential orientation along (311), and the average particle size was found to be 29-38 nm. The average crystallizes assessed with ImageJ software and origin 22 of the SEM are nearly identical to the XRD results. In the created NCF NPs, the FT-IR spectroscopy reveals structural examinations and the redistribution of cations between octahedral (505-428 cm⁻¹) and tetrahedral (653-603 cm⁻¹) locales. As the Co²⁺ cation is substituted with Ni²⁺, the coercive fields HC decrease from 2384 Oe to 241.93 Oe. Band gap energy rises as Ni concentration increases, which may be attributed to the fact that the ionic radii of Ni²⁺ ions are smaller than that of Co²⁺ ions, which results in a strong electrostatic interaction. On the contrary, except at x = 0.4, the dielectric constant decreases as the nickel concentration increases. According to the findings of this research work, nanoparticles are composed of Ni₀.₄ Co₀.₆ Fe₂ O₄ have demonstrated a promising value against S. aureus and E. coli, and it suggests a proposed model for their potential use as a source of antibacterial agent.

Keywords: antimicrobial, band gap, citrate precursor, dielectric, nanoparticle

Procedia PDF Downloads 79
3689 Structural and Optical Properties of RF-Sputtered ZnS and Zn(S,O) Thin Films

Authors: Ould Mohamed Cheikh, Mounir Chaik, Hind El Aakib, Mohamed Aggour, Abdelkader Outzourhit

Abstract:

Zinc sulfide [ZnS] and oxygenated zinc sulfide Zn(O,S) thin films were deposited on glass substrates, by reactive cathodic radio-frequency (RF) sputtering. The substrates power and percentage of oxygen were varied in the range of 100W to 250W and from 5% to 20% respectively. The structural, morphological and optical properties of these thin films were investigated. The optical properties (mainly the refractive index, absorption coefficient and optical band gap) were examined by optical transmission measurements in the ultraviolet-visible-near Infrared wavelength range. XRD analysis indicated that all sputtered ZnS films were a single phase with a preferential orientation along the (111) plane of zinc blend (ZB). The crystallite size was in the range of 19.5 nm to 48.5 nm, the crystallite size varied with RF power reaching a maximum at 200 W. The Zn(O,S) films, on the other hand, were amorphous. UV-Visible, measurements showed that the ZnS film had more than 80% transmittance in the visible wavelength region while that of Zn(O,S is 85%. Moreover, it was observed that the band gap energy of the ZnS films increases slightly from 3.4 to 3.52 eV as the RF power was increased. The optical band gap of Zn(O,S), on the other hand, decreased from 4.2 to 3.89 eV as the oxygen partial pressure is increased in the sputtering atmosphere at a fixed RF-power. Scanning electron microscopy observations revealed smooth surfaces for both type of films. The X-ray reflectometry measurements on the ZnS films showed that the density of the films (3.9 g/cm3) is close that of bulk ZnS.

Keywords: thin films Zn(O, S) properties, Zn(O, S) by Rf-sputtering, ZnS for solar cells, thin films for renewable energy

Procedia PDF Downloads 284
3688 The Effect of Soil-Structure Interaction on the Post-Earthquake Fire Performance of Structures

Authors: A. T. Al-Isawi, P. E. F. Collins

Abstract:

The behaviour of structures exposed to fire after an earthquake is not a new area of engineering research, but there remain a number of areas where further work is required. Such areas relate to the way in which seismic excitation is applied to a structure, taking into account the effect of soil-structure interaction (SSI) and the method of analysis, in addition to identifying the excitation load properties. The selection of earthquake data input for use in nonlinear analysis and the method of analysis are still challenging issues. Thus, realistic artificial ground motion input data must be developed to certify that site properties parameters adequately describe the effects of the nonlinear inelastic behaviour of the system and that the characteristics of these parameters are coherent with the characteristics of the target parameters. Conversely, ignoring the significance of some attributes, such as frequency content, soil site properties and earthquake parameters may lead to misleading results, due to the misinterpretation of required input data and the incorrect synthesise of analysis hypothesis. This paper presents a study of the post-earthquake fire (PEF) performance of a multi-storey steel-framed building resting on soft clay, taking into account the effects of the nonlinear inelastic behaviour of the structure and soil, and the soil-structure interaction (SSI). Structures subjected to an earthquake may experience various levels of damage; the geometrical damage, which indicates the change in the initial structure’s geometry due to the residual deformation as a result of plastic behaviour, and the mechanical damage which identifies the degradation of the mechanical properties of the structural elements involved in the plastic range of deformation. Consequently, the structure presumably experiences partial structural damage but is then exposed to fire under its new residual material properties, which may result in building failure caused by a decrease in fire resistance. This scenario would be more complicated if SSI was also considered. Indeed, most earthquake design codes ignore the probability of PEF as well as the effect that SSI has on the behaviour of structures, in order to simplify the analysis procedure. Therefore, the design of structures based on existing codes which neglect the importance of PEF and SSI can create a significant risk of structural failure. In order to examine the criteria for the behaviour of a structure under PEF conditions, a two-dimensional nonlinear elasto-plastic model is developed using ABAQUS software; the effects of SSI are included. Both geometrical and mechanical damages have been taken into account after the earthquake analysis step. For comparison, an identical model is also created, which does not include the effects of soil-structure interaction. It is shown that damage to structural elements is underestimated if SSI is not included in the analysis, and the maximum percentage reduction in fire resistance is detected in the case when SSI is included in the scenario. The results are validated using the literature.

Keywords: Abaqus Software, Finite Element Analysis, post-earthquake fire, seismic analysis, soil-structure interaction

Procedia PDF Downloads 124
3687 A Cross-Cultural Investigation of Self-Compassion in Adolescents Across Gender

Authors: H. N. Cheung

Abstract:

Self-compassion encourages one to accept oneself, reduce self-criticism and self-judgment, and see one’s shortcomings and setbacks in a balanced view. Adolescent self-compassion is a crucial protective factor against mental illness. It is, however, affected by gender. Given the scarcity of self-compassion scales for adolescents, the current study evaluates the Self-Compassion Scale for Youth (SCS-Y) in a large cross-cultural sample and investigates how the subscales of SCS-Y relate to the dimensions of depressive symptoms across gender. Through the internet-based Qualtrics, a total of 2881 teenagers aged 12 to 18 years were recruited from Hong Kong (HK), China, and the United Kingdom. A Multiple Indicator Multiple Cause (MIMIC) model was used to evaluate measurement invariance of the SCS-Y, and differential item functioning (DIF) was checked across gender. Upon the establishment of the best model, a multigroup structural equation model (SEM) was built between factors of SCS-Y and Multidimensional depression assessment scale (MDAS) which assesses four dimensions of depressive symptoms (emotional, cognitive, somatic and interpersonal). The SCS-Y was shown to have good reliability and validity. The MIMIC model produced a good model fit for a hypothetical six-factor model (CFI = 0.980; TLI = 0.974; RMSEA = 0.038) and no item was flagged for DIF across gender. A gender difference was observed between SCS-Y factors and depression dimensions. Conclusions: The SCS-Y exhibits good psychometric characteristics, including measurement invariance across gender. The study also highlights the gender difference between self-compassion factors and depression dimensions.

Keywords: self compassion, gender, depression, structural equation modelling, MIMIC model

Procedia PDF Downloads 74
3686 Effect of Barium Doping on Structural, Morphological, Optical and Photocatalytic Properties of Sprayed ZnO Thin Films

Authors: H. Djaaboube, I. Loucif, Y. Bouachiba, R. Aouati, A. Maameri, A. Taabouche, A. Bouabellou

Abstract:

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

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

Procedia PDF Downloads 84
3685 Engineering Analysis for Fire Safety Using Computational Fluid Dynamic (CFD)

Authors: Munirajulu M, Srikanth Modem

Abstract:

A large cricket stadium with the capacity to accommodate several thousands of spectators has the seating arena consisting of a two-tier arrangement with an upper and a lower bowl and an intermediate concourse podium level for pedestrian movement to access the bowls. The uniqueness of the stadium is that spectators can have an unobstructed view from all around the podium towards the field of play. Upper and lower bowls are connected by stairs. The stairs landing is a precast slab supported by cantilevered steel beams. These steel beams are fixed to precast columns supporting the stadium structure. The stair slabs are precast concrete supported on a landing slab and cantilevered steel beams. During an event of a fire at podium level between two staircases, fire resistance of steel beams is very critical to life safety. If the steel beam loses its strength due to lack of fire resistance, it will be weak in supporting stair slabs and may lead to a hazard in evacuating occupants from the upper bowl to the lower bowl. In this study, to ascertain fire rating and life safety, a performance-based design using CFD analysis is used to evaluate the steel beams' fire resistance. A fire size of 3.5 MW (convective heat output of fire) with a wind speed of 2.57 m/s is considered for fire and smoke simulation. CFD results show that the smoke temperature near the staircase/ around the staircase does not exceed 1500 C for the fire duration considered. The surface temperature of cantilevered steel beams is found to be less than or equal to 1500 C. Since this temperature is much less than the critical failure temperature of steel (5200 C), it is concluded that the design of structural steel supports on the staircase is adequate and does not need additional fire protection such as fire-resistant coating. CFD analysis provided an engineering basis for the performance-based design of steel structural elements and an opportunity to optimize fire protection requirements. Thus, performance-based design using CFD modeling and simulation of fire and smoke is an innovative way to evaluate fire rating requirements, ascertain life safety and optimize the design with regard to fire protection on structural steel elements.

Keywords: fire resistance, life safety, performance-based design, CFD analysis

Procedia PDF Downloads 193
3684 Trends and Perspectives of Agrotourism Development in Georgia

Authors: Tamar Lazariashvili

Abstract:

The development of agrotourism in Georgia has significant potential. The trend of population growth and demand for agrotourism products makes the interest and importance of the development of this field even more relevant. The article studies the trends in the development of agrotourism in Georgia; SWOT analysis reveals the potential for the development of agrotourism and assesses the perspectives, examines the factors hindering the development of agrotourism, assesses the role of the state in the development of agrotourism. Objectives: The purpose of the study is to determine the development trends of agrotourism in Georgia and to develop recommendations for prospective directions based on the assessment of the field's potential. Methodologies: Research methods are used: analysis, synthesis, induction, deduction, comparison, statistical (selection, grouping, observation, trend) and other methods, as well as SWOT analysis. Contributions: A positive trend in the development of agrotourism has been revealed. It is also shown that the demand for agrotourism products is growing. The agro touristic potential of Georgia was assessed and prospective directions for the development of the field have been determined. Conclusions: are drawn on the problems identified in the work and recommendations are proposed on ways to effectively use the potential opportunities of agrotourism and ways of long-term development.

Keywords: agrotourism, agrotourism products, agrotourism potential, development prospects.

Procedia PDF Downloads 95
3683 Sensitivity Analysis of Principal Stresses in Concrete Slab of Rigid Pavement Made From Recycled Materials

Authors: Aleš Florian, Lenka Ševelová

Abstract:

Complex sensitivity analysis of stresses in a concrete slab of the real type of rigid pavement made from recycled materials is performed. The computational model of the pavement is designed as a spatial (3D) model, is based on a nonlinear variant of the finite element method that respects the structural nonlinearity, enables to model different arrangements of joints, and the entire model can be loaded by the thermal load. Interaction of adjacent slabs in joints and contact of the slab and the subsequent layer are modeled with the help of special contact elements. Four concrete slabs separated by transverse and longitudinal joints and the additional structural layers and soil to the depth of about 3m are modeled. The thickness of individual layers, physical and mechanical properties of materials, characteristics of joints, and the temperature of the upper and lower surface of slabs are supposed to be random variables. The modern simulation technique Updated Latin Hypercube Sampling with 20 simulations is used. For sensitivity analysis the sensitivity coefficient based on the Spearman rank correlation coefficient is utilized. As a result, the estimates of influence of random variability of individual input variables on the random variability of principal stresses s1 and s3 in 53 points on the upper and lower surface of the concrete slabs are obtained.

Keywords: concrete, FEM, pavement, sensitivity, simulation

Procedia PDF Downloads 330
3682 The Best Prediction Data Mining Model for Breast Cancer Probability in Women Residents in Kabul

Authors: Mina Jafari, Kobra Hamraee, Saied Hossein Hosseini

Abstract:

The prediction of breast cancer disease is one of the challenges in medicine. In this paper we collected 528 records of women’s information who live in Kabul including demographic, life style, diet and pregnancy data. There are many classification algorithm in breast cancer prediction and tried to find the best model with most accurate result and lowest error rate. We evaluated some other common supervised algorithms in data mining to find the best model in prediction of breast cancer disease among afghan women living in Kabul regarding to momography result as target variable. For evaluating these algorithms we used Cross Validation which is an assured method for measuring the performance of models. After comparing error rate and accuracy of three models: Decision Tree, Naive Bays and Rule Induction, Decision Tree with accuracy of 94.06% and error rate of %15 is found the best model to predicting breast cancer disease based on the health care records.

Keywords: decision tree, breast cancer, probability, data mining

Procedia PDF Downloads 145
3681 Electron Density Discrepancy Analysis of Energy Metabolism Coenzymes

Authors: Alan Luo, Hunter N. B. Moseley

Abstract:

Many macromolecular structure entries in the Protein Data Bank (PDB) have a range of regional (localized) quality issues, be it derived from x-ray crystallography, Nuclear Magnetic Resonance (NMR) spectroscopy, or other experimental approaches. However, most PDB entries are judged by global quality metrics like R-factor, R-free, and resolution for x-ray crystallography or backbone phi-psi distribution statistics and average restraint violations for NMR. Regional quality is often ignored when PDB entries are re-used for a variety of structurally based analyses. The binding of ligands, especially ligands involved in energy metabolism, is of particular interest in many structurally focused protein studies. Using a regional quality metric that provides chemically interpretable information from electron density maps, a significant number of outliers in regional structural quality was detected across x-ray crystallographic PDB entries for proteins bound to biochemically critical ligands. In this study, a series of analyses was performed to evaluate both specific and general potential factors that could promote these outliers. In particular, these potential factors were the minimum distance to a metal ion, the minimum distance to a crystal contact, and the isotropic atomic b-factor. To evaluate these potential factors, Fisher’s exact tests were performed, using regional quality criteria of outlier (top 1%, 2.5%, 5%, or 10%) versus non-outlier compared to a potential factor metric above versus below a certain outlier cutoff. The results revealed a consistent general effect from region-specific normalized b-factors but no specific effect from metal ion contact distances and only a very weak effect from crystal contact distance as compared to the b-factor results. These findings indicate that no single specific potential factor explains a majority of the outlier ligand-bound regions, implying that human error is likely as important as these other factors. Thus, all factors, including human error, should be considered when regions of low structural quality are detected. Also, the downstream re-use of protein structures for studying ligand-bound conformations should screen the regional quality of the binding sites. Doing so prevents misinterpretation due to the presence of structural uncertainty or flaws in regions of interest.

Keywords: biomacromolecular structure, coenzyme, electron density discrepancy analysis, x-ray crystallography

Procedia PDF Downloads 136