Search results for: light gauge steel–concrete hybrid structure
Commenced in January 2007
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Edition: International
Paper Count: 14848

Search results for: light gauge steel–concrete hybrid structure

2698 Localized Analysis of Cellulosic Fibrous Insulation Materials

Authors: Chady El Hachem, Pan Ye, Kamilia Abahri, Rachid Bennacer

Abstract:

Considered as a building construction material, and regarding its environmental benefits, wood fiber insulation is the material of interest in this work. The definition of adequate elementary representative volume that guarantees reliable understanding of the hygrothermal macroscopic phenomena is very critical. At the microscopic scale, when subjected to hygric solicitations, fibers undergo local dimensionless variations. It is therefore necessary to master this behavior, which affects the global response of the material. This study consists of an experimental procedure using the non-destructive method, X-ray tomography, followed by morphological post-processing analysis using ImageJ software. A refine investigation took place in order to identify the representative elementary volume and the sufficient resolution for accurate structural analysis. The second part of this work was to evaluate the microscopic hygric behavior of the studied material. Many parameters were taken into consideration, like the evolution of the fiber diameters, distribution along the sorption cycle and the porosity, and the water content evolution. In addition, heat transfer simulations based on the energy equation resolution were achieved on the real structure. Further, the problematic of representative elementary volume was elaborated for such heterogeneous material. Moreover, the material’s porosity and its fibers’ thicknesses show very big correlation with the water content. These results provide the literature with very good understanding of wood fiber insulation’s behavior.

Keywords: hygric behavior, morphological characterization, wood fiber insulation material, x-ray tomography

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2697 Non-Family Members as Successors of Choice in South African Family Businesses

Authors: Jonathan Marks, Lauren Katz

Abstract:

Family firms are a vital component of a country’s stability, prosperity and development. Their sustainability, longevity and continuity are critical. Given the premise that family firms wish to continue the business for the benefit of the family, the family founder / owner is faced with an emotionally charged transition option; either to transfer the family business to a family member or to transfer the firm to a non-family member. The rationale employed by family founders to select non-family members as successors/ executives of choice and the concomitant rationale employed by non-family members to select family firms as employers of choice, has been under-researched in the literature of family business succession planning. This qualitative study used semi-structured interviews to gain access to family firm founders/ owners, non-family successors/ executives and industry experts on family business. The findings indicated that the rationale for family members to select non-family successors/ executives was underpinned by the objective to grow the family firm for the benefit of the family. If non-family members were the most suitable candidates to ensure this outcome, family members were comfortable to employ non-family members. Non- family members, despite the knowledge that benefit lay primarily with family members, chose to work for family firms for personal benefits in terms of wealth, security and close connections. A commonly shared value system was a pre-requisite for all respondents. The research study provides insights from family founders/ owners, non-family successors/ executives, and industry experts on the subject of succession planning outside the family structure.

Keywords: agency theory, family business, institutional logics, non-family successors, Stewardship Theory

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2696 The Employment Experiences of Qualified Refugees in the UK and the Impact on Identity, Integration, and Wellbeing: A Qualitative Enquiry

Authors: Amina El-Warari, Agata Vitale, Laura Caulfield, Jennifer Kinloch

Abstract:

Background: Unemployment levels among refugees in the UK are much higher than voluntary migrants and UK-born citizens. The lack of employment and/or of suitable employment has detrimental consequences on refugees’ ability to integrate and become active citizens in the host country. Research indicates that, when individuals are forced to migrate, one of the most significant aspects to building their identity is their previous profession; this particularly applies to qualified refugees. Despite this, there is little support available to them. The current study is set in this context and aims to explore highly qualified refugees’ employment-related experiences in the UK as well as their suggestions on how to develop specific interventions that can support them in finding suitable employment. Methods: A qualitative study design was employed. Qualitative methods are in fact well suited to research with refugees, as they allow them to give their direct opinion, rather than this being filtered by stakeholders. Listening to ‘the refugee’s voice’ means developing ‘a refugee centered perspective’ where the diverse narratives told by participants are organized to tell their direct collective story. A total of 12 refugees, attending a non-profit refugee organization in the south-west of England, took part in the study. The selection criteria were being over 18, having a level of English that allows them to sustain a conversation, and having a University degree and/or professional qualification. All participants were interviewed individually; the data were transcribed and analyzed thematically. Findings: Participants had very little support in finding suitable employment; this often only consisted of a few sessions in their local job centers and English tutorials. They indicated that being unemployed/underemployed negatively affected their sense of identity, their acculturative stress, and their in-group/ out-group relations. They suggested that specific employment interventions for qualified refugees should be delivered to them individually in order to address their specific needs. Furthermore, most participants suggested that these interventions should support them in volunteering in organizations that match their skills/ qualifications. They also indicated that the employment interventions should support them in having their qualifications recognized in the UK as well as building links with universities/ centers where they can receive adequate training on how to understand and adapt to the employments needs in the UK. Conclusions: These findings will provide the basis for the second stage of the research where specific employment interventions will be designed and tested with highly qualified refugees. In addition, these findings shed light refugee integration policy.

Keywords: employment interventions, identity, integration, qualified refugees

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2695 Dimensional Investigation of Food Addiction in Individuals Who Have Undergone Bariatric Surgery

Authors: Ligia Florio, João Mauricio Castaldelli-Maia

Abstract:

Background: Food addiction (FA) emerged in the 1990s as a possible contributor to the increasing prevalence of obesity and overweight, in conjunction with changing food environments and mental health conditions. However, FA is not yet listed as one of the disorders in the DSM-5 and/or the ICD-11. Although there are controversies and debates in the literature about the classification and construct of FA, the most common approach to access it is the use of a research tool - the Yale Food Addiction Scale (YFAS) - which approximates the concept of FA to the concept diagnosis of dependence on psychoactive substances. There is a need to explore the dimensional phenotypes accessed by YFAS in different population groups for a better understanding and scientific support of FA diagnoses. Methods: The primary objective of this project was to investigate the construct validity of the FA concept by mYFAS 2.0 in individuals who underwent bariatric surgery (n = 100) at the Hospital Estadual Mário Covas since 2011. Statistical analyzes were conducted using the STATA software. In this sense, structural or factor validity was the type of construct validity investigated using exploratory factor analysis (EFA) and item response theory (IRT) techniques. Results: EFA showed that the one-dimensional model was the most parsimonious. The IRT showed that all criteria contributed to the latent structure, presenting discrimination values greater than 0.5, with most presenting values greater than 2. Conclusion: This study reinforces a FA dimension in patients who underwent bariatric surgery. Within this dimension, we identified the most severe and discriminating criteria for the diagnosis of FA.

Keywords: obesity, food addiction, bariatric surgery, regain

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2694 Analyzing Restrictive Refugee Policies in Japan and the United Kingdom: An Examination of Fundamental Causes and Implications

Authors: Shalini Shawari Matharage

Abstract:

The worldwide refugee challenge has arisen as a critical concern, with millions of individuals fleeing their home countries owing to conflict, persecution, and human rights violations. Since the establishment of an international framework in 1951 for tackling the humanitarian needs of refugees and asylum seekers, many developed and developing countries have adopted a refugee admittance framework into their national immigration policy and steadily changed their domestic legislation to assist the resettlement of refugees. However, many developed nations have put forth strict limitations on refugee admission in the midst of the continuing refugee crisis, claiming factors including national sovereignty, security of their borders, and national economy. Two such developed nations that have been restrictive on refugees is Japan and the United Kingdom. Despite their contrasting histories, migration methods, and viewpoints on diversity in modern society, the two notably developed nations have taken similar restrictive approaches in refugee policy in the recent years. This study attempts to investigate the underlying causes that led these countries to adopt strict refugee policies and how those policies have affected their compliance with international human rights responsibilities. The study employs a head-to-head methodology to examine the structural inequities in Japan and the United Kingdom's refugee policies. Using data from the UNHCR Refugee Data Finder, official government policy proposals, statements, and academic works, the study evaluates the contemporary refugee legislations, fundamental causes, and subsequent implications. The study illustrates a combination of economic, security, and demographic issues, as well as political rigidity and negative public perceptions, as major determinants of the two countries' restrictive refugee policies. The findings shed light on the restrictive actions taken by Japan and the UK, raising concerns about potential breaches in obligations to their commitments to international law and human rights obligations. Understanding the underlying issues influencing these policies allows lawmakers and activists to establish more compassionate refugee policies that adhere to international human rights and protect vulnerable individuals fleeing persecution. Ultimately, this study aims to contribute to the development of sensible refugee policies that uphold human rights and humanitarian values.

Keywords: immigration, Japan, refugee policy, united kingdom

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2693 The Impact of Leadership Style and Managers Decision Making on Organizational Resulting in Ship Manufacturing Company

Authors: ZeinolAbedin Rahmani, Marzieh Evazi Borazjani, Nooshin Salehi

Abstract:

Organizations are increasingly facing changes and developments scientific, technological, social, cultural changes among these organizations those ones are reckoned successful and effective that in addition to coordinating the development of modern society can forecast future changes and be able to accommodate these changes in order to create favorable developments to build a better future. But we can change that with the changes that occur in the organization of the program it will distinguish. Today's organizations need leaders that change and grow them have to survive. In fact, without transformational managers and leaders, it is certainly difficult to create changes in organizations. Both private and public organizations need to increase knowledge and awareness of the cause widespread changes in the structure, culture and practice for the viability and sustainability of life and growth and development. By now, different signs have determined different causes for a suitable function of employees. However, the important thing is that the commitment of the employees to their organization has always been very important. Since the decrease of organization commitment causes the high rate of absenteeism, turnover intentions, and even to reduce the impact of health staff. and these factors prevent organizations from achieving its goals. If organizations want to retain staff, the organization must find a way to be happy and continue their work with commitment, motivation, and willingness. So here is the need for strong leaders, analysts, creative and transformational upper ranks more than ever is felt. The aim of this study is to revise history, the leadership style of managers shipbuilding company by using the MLQ model.

Keywords: leadership style, managers, organizational, manufacturing company, sustainability of life

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2692 Reduction of Residual Stress by Variothermal Processing and Validation via Birefringence Measurement Technique on Injection Molded Polycarbonate Samples

Authors: Christoph Lohr, Hanna Wund, Peter Elsner, Kay André Weidenmann

Abstract:

Injection molding is one of the most commonly used techniques in the industrial polymer processing. In the conventional process of injection molding, the liquid polymer is injected into the cavity of the mold, where the polymer directly starts hardening at the cooled walls. To compensate the shrinkage, which is caused predominantly by the immediate cooling, holding pressure is applied. Through that whole process, residual stresses are produced by the temperature difference of the polymer melt and the injection mold and the relocation of the polymer chains, which were oriented by the high process pressures and injection speeds. These residual stresses often weaken or change the structural behavior of the parts or lead to deformation of components. One solution to reduce the residual stresses is the use of variothermal processing. Hereby the mold is heated – i.e. near/over the glass transition temperature of the polymer – the polymer is injected and before opening the mold and ejecting the part the mold is cooled. For the next cycle, the mold gets heated again and the procedure repeats. The rapid heating and cooling of the mold are realized indirectly by convection of heated and cooled liquid (here: water) which is pumped through fluid channels underneath the mold surface. In this paper, the influences of variothermal processing on the residual stresses are analyzed with samples in a larger scale (500 mm x 250 mm x 4 mm). In addition, the influence on functional elements, such as abrupt changes in wall thickness, bosses, and ribs, on the residual stress is examined. Therefore the polycarbonate samples are produced by variothermal and isothermal processing. The melt is injected into a heated mold, which has in our case a temperature varying between 70 °C and 160 °C. After the filling of the cavity, the closed mold is cooled down varying from 70 °C to 100 °C. The pressure and temperature inside the mold are monitored and evaluated with cavity sensors. The residual stresses of the produced samples are illustrated by birefringence where the effect on the refractive index on the polymer under stress is used. The colorful spectrum can be uncovered by placing the sample between a polarized light source and a second polarization filter. To show the achievement and processing effects on the reduction of residual stress the birefringence images of the isothermal and variothermal produced samples are compared and evaluated. In this comparison to the variothermal produced samples have a lower amount of maxima of each color spectrum than the isothermal produced samples, which concludes that the residual stress of the variothermal produced samples is lower.

Keywords: birefringence, injection molding, polycarbonate, residual stress, variothermal processing

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2691 Thermal Vacuum Chamber Test Result for CubeSat Transmitter

Authors: Fitri D. Jaswar, Tharek A. Rahman, Yasser A. Ahmad

Abstract:

CubeSat in low earth orbit (LEO) mainly uses ultra high frequency (UHF) transmitter with fixed radio frequency (RF) output power to download the telemetry and the payload data. The transmitter consumes large amount of electrical energy during the transmission considering the limited satellite size of a CubeSat. A transmitter with power control ability is designed to achieve optimize the signal to noise ratio (SNR) and efficient power consumption. In this paper, the thermal vacuum chamber (TVAC) test is performed to validate the performance of the UHF band transmitter with power control capability. The TVAC is used to simulate the satellite condition in the outer space environment. The TVAC test was conducted at the Laboratory of Spacecraft Environment Interaction Engineering, Kyushu Institute of Technology, Japan. The TVAC test used 4 thermal cycles starting from +60°C to -20°C for the temperature setting. The pressure condition inside chamber was less than 10-5Pa. During the test, the UHF transmitter is integrated in a CubeSat configuration with other CubeSat subsystem such as on board computer (OBC), power module, and satellite structure. The system is validated and verified through its performance in terms of its frequency stability and the RF output power. The UHF band transmitter output power is tested from 0.5W to 2W according the satellite mode of operations and the satellite power limitations. The frequency stability is measured and the performance obtained is less than 2 ppm in the tested operating temperature range. The test demonstrates the RF output power is adjustable in a thermal vacuum condition.

Keywords: communication system, CubeSat, SNR, UHF transmitter

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2690 Coastalization and Urban Sprawl in the Mediterranean: Using High-Resolution Multi-Temporal Data to Identify Typologies of Spatial Development

Authors: Apostolos Lagarias, Anastasia Stratigea

Abstract:

Coastal urbanization is heavily affecting the Mediterranean, taking the form of linear urban sprawl along the coastal zone. This process is posing extreme pressure on ecosystems, leading to an unsustainable model of growth. The aim of this research is to analyze coastal urbanization patterns in the Mediterranean using High-resolution multi-temporal data provided by the Global Human Settlement Layer (GHSL) database. Methodology involves the estimation of a set of spatial metrics characterizing the density, aggregation/clustering and dispersion of built-up areas. As case study areas, the Spanish Coast and the Adriatic Italian Coast are examined. Coastalization profiles are examined and selected sub-areas massively affected by tourism development and suburbanization trends (Costa Blanca/Murcia, Costa del Sol, Puglia, Emilia-Romagna Coast) are analyzed and compared. Results show that there are considerable differences between the Spanish and the Italian typologies of spatial development, related to the land use structure and planning policies applied in each case. Monitoring and analyzing spatial patterns could inform integrated Mediterranean strategies for coastal areas and redirect spatial/environmental policies towards a more sustainable model of growth

Keywords: coastalization, Mediterranean, multi-temporal, urban sprawl, spatial metrics

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2689 The Influence of Grammatical Gender on Socially Constructed Gender in English, Dutch, and German

Authors: Noah Brandon

Abstract:

Grammatical gender can create a restrictive roadblock for the usage of gender-inclusive language. This research describes grammatical gender structures used in English, Dutch, and German and considers how these structures restrict the implementation of gender inclusivity in spoken and written discourse. This restriction is measured by the frequency with which gender-inclusive & generic masculine forms are used and by the morphosyntactic complexity of the gender-inclusive forms available in these languages. These languages form a continuum of grammatical gender structures, with English having the least articulated structures and German having the most. This leads to a comparative analysis intended to establish a correlation between the complexity of gender structure and the difficulty of using gender-inclusive forms. English, on one side of the continuum, maintains only remnants of a formal grammatical gender system and imposes the fewest restrictions on the creation of neo-pronouns and the use of gender-inclusive alternatives to gendered agentive nouns. Next, the Dutch have a functionally two-gender system with less freedom using gender-neutral forms. Lastly, German, on the other end, has a three-gender system requiring a plethora of morphosyntactic and orthographic alternatives to avoid using generic masculine. The paper argues that the complexity of grammatical gender structures correlates with hindered use of gender-inclusive forms. Going forward, efforts will focus on gathering further data on the usage of gender-inclusive and generic masculine forms within these languages. The end goal of this research is to establish a definitive objective correlation between grammatical gender complexity and impediments in expressing socially constructed gender.

Keywords: sociolinguistics, language and gender, gender, Germanic linguistics, grammatical gender, German, Dutch, English

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2688 Synthesis and Theoretical Calculations of Carbazole Substituted Pyridopyrimidine Urea/Thioure Derivatives and Studies Their PPO Enzyme Activity

Authors: Arleta Rifati Nixha, Mustafa Arslan, Adem Ergün, Nahit Gencer

Abstract:

Polyphenol oxidase (PPO), sometimes referred to as phenol oxidase, catecholase, phenolase, catechol oxidase, or even tyrosinase, is considered to be an o-dipenol. PPO (EC 1.14.18.1), a multifunctional copper containing enzyme, is widely distributed in nature. It catalyzes two distinct reactions of melanin synthesis: a hydroxylation of monophenols to o-diphenols (monophenolase activity) and an oxidation of o-diphenols to o-quinones (diphenolase activity), both using molecular oxygen. Additionaly, investigation demonstrated that various dermatological disorders, such as age spots and freckle, were caused by the accumulation of an excessive level of epidermal pigmentation. Tyrosinase has also been linked to Parkinson’s and other neurodegenerative diseases. Nitrogen heterocycles have received a great deal of attention in the literature because of biological properties. Especially, among these heterocyclic systems, pyridine containing compounds have been the subject of expanding research efforts in heteroaromatic and biological chemistry. The pyrido [2,3-d] pyrimidine heterocycles, which are those annelated to a pyrimidine ring, are important because of their wide range of biological and pharmaceutical applications (i.e., bronchodilators, vasodilators) and their anti-allergic, cardiotonic, antihypertensive, and hepatoprotective activities. In this study series of 12 new carbazole substituted pyridopyrimidine urea(thiourea) derivatives were synthesized and evaluated effect on PPO. Additionally, we presented structure-activity relationship analyses and theoretical calculations of the compounds.

Keywords: carbazole, pyridopyrimidine, urea, thiourea, tyrosinase inhibitors

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2687 Mass Media and Tobacco in Bangladesh: An Investigation on the Role of Mass Media in the Light of Tobacco Control

Authors: Tahsina Sadeque Kapil Ahmed

Abstract:

Context: The tobacco epidemic is one of the biggest public health threats the world has ever faced. Tobacco use is a widespread phenomenon in Bangladesh, and that causes numerous deaths and disabilities in a year. The studies conducted elsewhere have strengthened the evidence that mass media campaigns conducted in the context of comprehensive tobacco control programs can promote quitting and reduce smoking, as well as smokeless tobacco prevalence. Awareness building campaigns in mass-media against tobacco use should be prioritized more, and this paper will be an initiative towards enhancing mass-media’s role in controlling tobacco in Bangladesh. Objective: the main objective of this study is to investigate the role of mass-media in controlling tobacco in Bangladesh. Methods: This is a qualitative study and both primary, as well as secondary data were used where information gathered through the Key Informant Interviews (KIIs) and media contents. The employees of media houses (five national papers, two online news portals and six TV channels) were selected as study respondent. Media Content Analysis is used through the broad range of ‘texts’ from transcripts of interviews and discussions along with the materials like reports, footages, advertisements, talk-shows, articles etc. Results: The study result documented several opinions of discussants where Mass media was found to play a strong role in support of the amended tobacco control law and its implication that could be created public support against tobacco farming, exposing to companies’ tactics and other tobacco control activities. The study results also revealed that in controlling tobacco supply and demand effectively, media has been assisting the government and anti-tobacco activities productively. Majority of the Key Informants opined spontaneously on tobacco control program publicity, organizational interference, and influence of other activities on media. They also emphasized role of media for activities of anti-tobacco organizations, awareness building actions, popularization of tobacco control law and its amendment. Conclusion and Recommendation: The study shows evidence that mass media coverage of tobacco control issues is influencing the context of comprehensive tobacco control programs. To reduce tobacco consumption, along with strict enforcement efforts, media should be used to assist with the implementation of the tobacco control law. A sustained nationwide campaign to educate the masses against the dangers of smoking and smokeless tobacco is needed, and media can play an important role in creating further awareness about the dangers associated with tobacco consumption.

Keywords: Bangladesh media, mass media, role of media, tobacco control

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2686 Israeli Households Caring for Children and Adults with Intellectual and Developmental Disabilities: An Explorative Study

Authors: Ayelet Gur

Abstract:

Background: In recent years we are witnessing a welcome trend in which more children/persons with disabilities are living at home with their families and within their communities. This trend is related to various policy innovations as the UN Convention on the Rights of People with Disabilities that reflect a shift from the medical-institutional model to a human rights approach. We also witness the emergence of family centered approaches that perceive the family and not just the individual with the disability as a worthy target of policy planning, implementation and evaluation efforts. The current investigation aims to explore economic, psychological and social factors among households of families of children or adults with intellectual disabilities in Israel and to present policy recommendation. Methods: A national sample of 301 households was recruited through the education and employment settings of persons with intellectual disability. The main caregiver of the person with the disability (a parent) was interviewed. Measurements included the income and expense surveys; assets and debts questionnaire; the questionnaire on resources and stress; the social involvement questionnaire and Personal Wellbeing Index. Results: Findings indicate significant gaps in financial circumstances between households of families of children with intellectual disabilities and households of the general Israeli society. Households of families of children with intellectual disabilities report lower income and higher expenditures and loans than the general society. They experience difficulties in saving and coping with unexpected expenses. Caregivers (the parents) experience high stress, low social participation, low financial support from family, friend and non-governmental organizations and decreased well-being. They are highly dependent on social security allowances which constituted 40% of the household's income. Conclusions: Households' dependency on social security allowances may seem contradictory to the encouragement of persons with intellectual disabilities to favor independent living in light of the human rights approach to disability. New policy should aim at reducing caregivers' stress and enhance their social participation and support, with special emphasis on families of lower socio-economic status. Finally, there is a need to continue monitoring the economic and psycho-social needs of households of families of children with intellectual disabilities and other developmental disabilities.

Keywords: disability policy, family policy, intellectual and developmental disabilities, Israel, households study, parents of children with disabilities

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2685 In vitro Callus Production from Lantana Camara: A Step towards Biotransformation Studies

Authors: Maged El-Sayed Mohamed

Abstract:

Plant tissue culture practices are presented nowadays as the most promising substitute to a whole plant in the terms of secondary metabolites production. They offer the advantages of high production, tunability and they have less effect on plant ecosystems. Lantana camara is a weed, which is common all over the world as an ornamental plant. Weeds can adapt to any type of soil and climate due to their rich cellular machinery for secondary metabolites’ production. This characteristic is found in Lantana camara as a plant of very rich diversity of secondary metabolites with no dominant class of compounds. Aim: This trait has encouraged the author to develop tissue culture experiments for Lantana camara to be a platform for production and manipulation of secondary metabolites through biotransformation. Methodology: The plant was collected in its flowering stage in September 2014, from which explants were prepared from shoot tip, auxiliary bud and leaf. Different types of culture media were tried as well as four phytohormones and their combinations; NAA, 2,4-D, BAP and kinetin. Explants were grown in dark or in 12 hours dark and light cycles at 25°C. A metabolic profile for the produced callus was made and then compared to the whole plant profile. The metabolic profile was made using GC-MS for volatile constituents (extracted by n-hexane) and by HPLC-MS and capillary electrophoresis-mass spectrometry (CE-MS) for non-volatile constituents (extracted by ethanol and water). Results: The best conditions for the callus induction was achieved using MS media supplied with 30 gm sucrose and NAA/BAP (1:0.2 mg/L). Initiation of callus was favoured by incubation in dark for 20 day. The callus produced under these conditions showed yellow colour, which changed to brownish after 30 days. The rate of callus growth was high, expressed in the callus diameter, which reached to 1.15±0.2 cm in 30 days; however, the induction of callus delayed for 15 days. The metabolic profile for both volatile and non-volatile constituents of callus showed more simple background metabolites than the whole plant with two new (unresolved) peaks in the callus’ nonvolatile constituents’ chromatogram. Conclusion: Lantana camara callus production can be itself a source of new secondary metabolites and could be used for biotransformation studies due to its simple metabolic background, which allow easy identification of newly formed metabolites. The callus production gathered the simple metabolic background with the rich cellular secondary metabolite machinery of the plant, which could be elicited to produce valuable medicinally active products.

Keywords: capillary electrophoresis-mass spectrometry, gas chromatography, metabolic profile, plant tissue culture

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2684 Docking, Pharmacophore Modeling and 3d QSAR Studies on Some Novel HDAC Inhibitors with Heterocyclic Linker

Authors: Harish Rajak, Preeti Patel

Abstract:

The application of histone deacetylase inhibitors is a well-known strategy in prevention of cancer which shows acceptable preclinical antitumor activity due to its ability of growth inhibition and apoptosis induction of cancer cell. Molecular docking were performed using Histone Deacetylase protein (PDB ID:1t69) and prepared series of hydroxamic acid based HDACIs. On the basis of docking study, it was predicted that compound 1 has significant binding interaction with HDAC protein and three hydrogen bond interactions takes place, which are essential for antitumor activity. On docking, most of the compounds exhibited better glide score values between -8 to -10 which is close to the glide score value of suberoylanilide hydroxamic acid. The pharmacophore hypotheses were developed using e-pharmacophore script and phase module. The 3D-QSAR models provided a good correlation between predicted and actual anticancer activity. Best QSAR model showed Q2 (0.7974), R2 (0.9200) and standard deviation (0.2308). QSAR visualization maps suggest that hydrogen bond acceptor groups at carbonyl group of cap region and hydrophobic groups at ortho, meta, para position of R9 were favorable for HDAC inhibitory activity. We established structure activity correlation using docking, pharmacophore modeling and atom based 3D QSAR model for hydroxamic acid based HDACIs.

Keywords: HDACIs, QSAR, e-pharmacophore, docking, suberoylanilide hydroxamic acid

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2683 Microstructural Origin of Morphotropic Phase Boundary and Magnetic Ordering in the Multiferroic BiFeO3-PbTiO3

Authors: Bastola Narayan, Rajeev Ranjan

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The morphotropic phase boundary (MPB) in the magnetoelectric (1-x)BiFeO3-(x)PbTiO3 has remained a matter of controversy ever since its discovery in 1964. The nature of the phase stabilized (single phase tetragonal or coexistence of tetragonal and rhombohedral phases) is very sensitive to the slight changes in the synthesis conditions. It thus remained an enigma as to what is the essential physical factor which is controlled by the slight difference in the synthesis conditions that finally determines, whether the phase formed will be single phase or coexistence of phases. In this paper, we demonstrate that the nature of the phase stabilized in this system is uniquely dependent on the crystallite size. The system is shown to exhibit features of abnormal grain growth (AGG) during sintering with abrupt increase in the grain size from ~ 1 micron to ~ 10 microns. The 10 micron grains exhibit pure tetragonal phase while the 1 micron grains exhibit coexistence of rhombohedral and tetragonal ferroelectric phases. The Rietveld analysis of powder neutron diffraction shows a paramagnetic to antiferromagnetic order transition inducing with crystalline size reduction from 10 micron to 1 micron. Since tetragonal phase is known to have paramagnetic order and rhombohedral phase has antiferromagnetic order in room temperature, this further strengthens our argument of size induced structure transition.

Keywords: size driven MPB, size driven magnetic ordering, abnormal grain growth, phase formation in BF-PT system

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2682 Artificial Intelligent-Based Approaches for Task ‎Offloading, ‎Resource ‎Allocation and Service ‎Placement of ‎Internet of Things ‎Applications: State of the Art

Authors: Fatima Z. Cherhabil, Mammar Sedrati, Sonia-Sabrina Bendib‎

Abstract:

In order to support the continued growth, critical latency of ‎IoT ‎applications, and ‎various obstacles of traditional data centers, ‎mobile edge ‎computing (MEC) has ‎emerged as a promising solution that extends cloud data-processing and decision-making to edge devices. ‎By adopting a MEC structure, IoT applications could be executed ‎locally, on ‎an edge server, different fog nodes, or distant cloud ‎data centers. However, we are ‎often ‎faced with wanting to optimize conflicting criteria such as ‎minimizing energy ‎consumption of limited local capabilities (in terms of CPU, RAM, storage, bandwidth) of mobile edge ‎devices and trying to ‎keep ‎high performance (reducing ‎response time, increasing throughput and service availability) ‎at the same ‎time‎. Achieving one goal may affect the other, making task offloading (TO), ‎resource allocation (RA), and service placement (SP) complex ‎processes. ‎It is a nontrivial multi-objective optimization ‎problem ‎to study the trade-off between conflicting criteria. ‎The paper provides a survey on different TO, SP, and RA recent multi-‎objective optimization (MOO) approaches used in edge computing environments, particularly artificial intelligent (AI) ones, to satisfy various objectives, constraints, and dynamic conditions related to IoT applications‎.

Keywords: mobile edge computing, multi-objective optimization, artificial ‎intelligence ‎approaches, task offloading, resource allocation, ‎ service placement

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2681 Anti-Fibrillation Propensity of a Flavonoid Baicalein against the Fibrils of Hen Egg White Lysozyme: Potential Therapeutics for Lysozyme Amyloidosis

Authors: Naveed Ahmad Fazili

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More than 20 human diseases involve the fibrillation of a specific protein/peptide which forms pathological deposits at various sites. Hereditary lysozyme amyloidosis is a systemic disorder which mostly affects liver, spleen and kidney. This conformational disorder is featured by lysozyme fibril formation. In vivo lysozyme fibrillation was simulated under in vitro conditions using a strong denaturant GdHCl at 3M concentration. Sharp decline in the ANS fluorescence intensity compared to the partially unfolded states, almost 20 fold increase in ThT fluorescence intensity, increase in absorbance at 450 nm suggesting turbidity, negative ellipticity peak in the far-UVCD at 217 nm, red shift of 50 nm compared to the native state in congo red assay and appearance of a network of long rope like fibrils in TEM analysis suggested HEWL fibrillation. Anti-fibrillation potency of baicalein against the preformed fibrils of HEWL was investigated following ThT assay in which there was a dose dependent decrease in ThT fluorescence intensity compared to the fibrillar state of HEWL with the maximum effect observed at 150 μM baicalein concentration, loss of negative ellipticity peak in the far-UVCD region, dip in the Rayleigh scattering intensity and absorbance at 350 nm and 450 nm respectively together with a reduction in the density of fibrillar structure in TEM imaging. Thus, it could be suggested that baicalein could prove to be a positive therapeutics for hereditary human lysozyme amyloidosis.

Keywords: amyloid fibrils, baicalein, congo red, negative ellipticity, therapeutics

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2680 Laser Shock Peening of Additively Manufactured Nickel-Based Superalloys

Authors: Michael Munther, Keivan Davami

Abstract:

One significant roadblock for additively manufactured (AM) parts is the buildup of residual tensile stresses during the fabrication process. These residual stresses are formed due to the intense localized thermal gradients and high cooling rates that cause non-uniform material expansion/contraction and mismatched strain profiles during powder-bed fusion techniques, such as direct metal laser sintering (DMLS). The residual stresses adversely affect the fatigue life of the AM parts. Moreover, if the residual stresses become higher than the material’s yield strength, they will lead to acute geometric distortion. These are limiting the applications and acceptance of AM components for safety-critical applications. Herein, we discuss laser shock peening method as an advanced technique for the manipulation of the residual stresses in AM parts. An X-ray diffraction technique is used for the measurements of the residual stresses before and after the laser shock peening process. Also, the hardness of the structures is measured using a nanoindentation technique. Maps of nanohardness and modulus are obtained from the nanoindentation, and a correlation is made between the residual stresses and the mechanical properties. The results indicate that laser shock peening is able to induce compressive residual stresses in the structure that mitigate the tensile residual stresses and increase the hardness of AM IN718, a superalloy, almost 20%. No significant changes were observed in the modulus after laser shock peening. The results strongly suggest that laser shock peening can be used as an advanced post-processing technique to optimize the service lives of critical components for various applications.

Keywords: additive manufacturing, Inconel 718, laser shock peening, residual stresses

Procedia PDF Downloads 122
2679 'Systems' and Its Impact on Virtual Teams and Electronic Learning

Authors: Shavindrie Cooray

Abstract:

It is vital that students are supported in having balanced conversations about topics that might be controversial. This process is crucial to the development of critical thinking skills. This can be difficult to attain in e-learning environments, with some research finding students report a perceived loss in the quality of knowledge exchange and performance. This research investigated if Systems Theory could be applied to structure the discussion, improve information sharing, and reduce conflicts when students are working in online environments. This research involved 160 participants across four categories of student groups at a college in the Northeastern US. Each group was provided with a shared problem, and each group was expected to make a proposal for a solution. Two groups worked face-to-face; the first face to face group engaged with the problem and each other with no intervention from a facilitator; a second face to face group worked on the problem using Systems tools to facilitate problem structuring, group discussion, and decision-making. There were two types of virtual teams. The first virtual group also used Systems tools to facilitate problem structuring and group discussion. However, all interactions were conducted in a synchronous virtual environment. The second type of virtual team also met in real time but worked with no intervention. Findings from the study demonstrated that the teams (both virtual and face-to-face) using Systems tools shared more information with each other than the other teams; additionally, these teams reported an increased level of disagreement amongst their members, but also expressed more confidence and satisfaction with the experience and resulting decision compared to the other groups.

Keywords: e-learning, virtual teams, systems approach, conflicts

Procedia PDF Downloads 135
2678 Leukocyte Transcriptome Analysis of Patients with Obesity-Related High Output Heart Failure

Authors: Samantha A. Cintron, Janet Pierce, Mihaela E. Sardiu, Diane Mahoney, Jill Peltzer, Bhanu Gupta, Qiuhua Shen

Abstract:

High output heart failure (HOHF) is characterized a high output state resulting from an underlying disease process and is commonly caused by obesity. As obesity levels increase, more individuals will be at risk for obesity-related HOHF. However, the underlying pathophysiologic mechanisms of obesity-related HOHF are not well understood and need further research. The aim of the study was to describe the differences in leukocyte transcriptomes of morbidly obese patients with HOHF and those with non-HOHF. In this cross-sectional study, the study team collected blood samples, demographics, and clinical data of six patients with morbid obesity and HOHF and six patients with morbid obesity and non-HOHF. The study team isolated the peripheral blood leukocyte RNA and applied stranded total RNA sequencing. Differential gene expression was calculated, and Ingenuity Pathway Analysis software was used to interpret the canonical pathways, functional changes, upstream regulators, and mechanistic and causal networks that were associated with the significantly different leukocyte transcriptomes. The study team identified 116 differentially expressed genes; 114 were upregulated, and 2 were downregulated in the HOHF group (Benjamini-Hochberg adjusted p-value ≤ 0.05 and log2(fold-change) of ±1). The differentially expressed genes were involved with cell proliferation, mitochondrial function, erythropoiesis, erythrocyte stability, and apoptosis. The top upregulated canonical pathways associated with differentially expressed genes were autophagy, adenosine monophosphate-activated protein kinase signaling, and senescence pathways. Upstream regulator GATA Binding Protein 1 (GATA1) and a network associated with nuclear factor kappa-light chain-enhancer of activated B cells (NF-kB) were also identified based on the different leukocyte transcriptomes of morbidly obese patients with HOHF and non-HOHF. To the author’s best knowledge, this is the first study that reported the differential gene expression in patients with obesity-related HOHF and demonstrated the unique pathophysiologic mechanisms underlying the disease. Further research is needed to determine the role of cellular function and maintenance, inflammation, and iron homeostasis in obesity-related HOHF.

Keywords: cardiac output, heart failure, obesity, transcriptomics

Procedia PDF Downloads 50
2677 Synthesis of ZnO Nanoparticles with Varying Calcination Temperature for Photocatalytic Degradation of Ethylbenzene

Authors: Darlington Ashiegbu, Herman Johannes Potgieter

Abstract:

The increasing utilization of Zinc Oxide (ZnO) as a better alternative to TiO₂ has been attributed to its wide bandgap (3.37eV), lower production cost, ability to absorb over a larger range of the UV-spectrum and higher efficiency in some cases. ZnO nanoparticles were synthesized via sol-gel process and calcined at 400ᵒC, 500ᵒC, and 650ᵒC. The as-synthesized nanoparticles were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS), and Brunauer–Emmett–Teller (BET) surface area measurement. Scanning electron micrograph revealed pseudo-spherical and rod-like morphologies and a high rate of agglomeration for the sample calcined at 650ᵒC, Brunnauer Emmett Teller (BET) surface area measurement was highest in the sample calcined at 500ᵒC, energy dispersive X-ray spectroscopy (EDS) results confirmed the purity of the samples as only Zn and O₂ were detected and X-ray diffraction (XRD) results revealed crystalline hexagonal wurtzite structure of the ZnO nanoparticles. All three samples were utilized in the degradation of ethylbenzene, and a UV-Vis spectrophotometer was utilized in monitoring degradation of ethylbenzene. The sample calcined at 500ᵒC had the highest surface area for reaction, lowest agglomeration and the highest photocatalytic activity in the degradation of ethylbenzene. This revealed temperature as a very important factor in improved and higher photocatalytic activity.

Keywords: ethylbenzene, pseudo-spherical, sol-gel, zinc oxide

Procedia PDF Downloads 158
2676 Neighborhood-Scape as a Methodology for Enhancing Gulf Region Cities' Quality of Life: Case of Doha, Qatar

Authors: Eman AbdelSabour

Abstract:

Sustainability is increasingly being considered as a critical aspect in shaping the urban environment. It works as an invention development basis for global urban growth. Currently, different models and structures impact the means of interpreting the criteria that would be included in defining a sustainable city. There is a collective need to improve the growth path to an extremely durable path by presenting different suggestions regarding multi-scale initiatives. The global rise in urbanization has led to increased demand and pressure for better urban planning choice and scenarios for a better sustainable urban alternative. The need for an assessment tool at the urban scale was prompted due to the trend of developing increasingly sustainable urban development (SUD). The neighborhood scale is being managed by a growing research committee since it seems to be a pertinent scale through which economic, environmental, and social impacts could be addressed. Although neighborhood design is a comparatively old practice, it is in the initial years of the 21st century when environmentalists and planners started developing sustainable assessment at the neighborhood level. Through this, urban reality can be considered at a larger scale whereby themes which are beyond the size of a single building can be addressed, while it still stays small enough that concrete measures could be analyzed. The neighborhood assessment tool has a crucial role in helping neighborhood sustainability to perform approach and fulfill objectives through a set of themes and criteria. These devices are also known as neighborhood assessment tool, district assessment tool, and sustainable community rating tool. The primary focus of research has been on sustainability from the economic and environmental aspect, whereas the social, cultural issue is rarely focused. Therefore, this research is based on Doha, Qatar, the current urban conditions of the neighborhoods is discussed in this study. The research problem focuses on the spatial features in relation to the socio-cultural aspects. This study is outlined in three parts; the first section comprises of review of the latest use of wellbeing assessment methods to enhance decision process of retrofitting physical features of the neighborhood. The second section discusses the urban settlement development, regulations and the process of decision-making rule. An analysis of urban development policy with reference to neighborhood development is also discussed in this section. Moreover, it includes a historical review of the urban growth of the neighborhoods as an atom of the city system present in Doha. Last part involves developing quantified indicators regarding subjective well-being through a participatory approach. Additionally, applying GIS will be utilized as a visualizing tool for the apparent Quality of Life (QoL) that need to develop in the neighborhood area as an assessment approach. Envisaging the present QoL situation in Doha neighborhoods is a process to improve current condition neighborhood function involves many days to day activities of the residents, due to which areas are considered dynamic.

Keywords: neighborhood, subjective wellbeing, decision support tools, Doha, retrofiring

Procedia PDF Downloads 133
2675 Simulation of the Flow in Bilayer Coextrusion Dies with Gradually Changing Calibrator Profiles

Authors: Mahesh Gupta

Abstract:

The main goal in the design of a die for extrusion of a complex profile is to obtain a uniform velocity at the die exit. If the velocity at the exit of an extrusion die is not uniform, the shape of the extrudate profile can change significantly after the polymer exits the die. To rectify the extrudate distortion caused by non-uniform exit velocity, calibrators and sizers are often installed along the extrudate cooling system. Furthermore, the profile shape in calibrators and sizers is sometimes gradually changed to intentionally deform the extrudate to the required final product shape. This is exploited to simplify extrusion die design, because a relatively simple profile at the die exit can be modified to obtain a more complex profile by deforming it in calibrators or sizers. The gradual change in the shape of calibrator or sizer profiles can also be used to extrude slightly different profiles from the same die. In the present work, a combined flow, thermal and structural analysis is used to accurately predict distortion of extrudate profile after the polymer leaves a die. Simulations of the flow and extrudate deformation in two different bilayer coextrusion dies with gradually changing profile shape in successive calibrators and sizers will be presented. The effect of non-uniform exit velocity, cooling shrinkage and shape of sizer profiles on extrudate deformation is included in the simulation. The predicted extrudate shape and layer structure is found to match accurately with those in a coextruded product.

Keywords: coextrusion, extrusion die design, finite element method, polymers

Procedia PDF Downloads 39
2674 Investigating Knowledge Management in Financial Organisation: Proposing a New Model for Implementing Knowledge Management

Authors: Ziba R. Tehrani, Sanaz Moayer

Abstract:

In the age of the knowledge-based economy, knowledge management has become a key factor in sustainable competitive advantage. Knowledge management is discovering, acquiring, developing, sharing, maintaining, evaluating, and using right knowledge in right time by right person in organization; which is accomplished by creating a right link between human resources, information technology, and appropriate structure, to achieve organisational goals. Studying knowledge management financial institutes shows the knowledge management in banking system is not different from other industries but because of complexity of bank’s environment, the implementation is more difficult. The bank managers found out that implementation of knowledge management will bring many advantages to financial institutes, one of the most important of which is reduction of threat to lose subsequent information of personnel job quit. Also Special attention to internal conditions and environment of the financial institutes and avoidance from copy-making in designing the knowledge management is a critical issue. In this paper, it is tried first to define knowledge management concept and introduce existing models of knowledge management; then some of the most important models which have more similarities with other models will be reviewed. In second step according to bank requirements with focus on knowledge management approach, most major objectives of knowledge management are identified. For gathering data in this stage face to face interview is used. Thirdly these specified objectives are analysed with the response of distribution of questionnaire which is gained through managers and expert staffs of ‘Karafarin Bank’. Finally based on analysed data, some features of exiting models are selected and a new conceptual model will be proposed.

Keywords: knowledge management, financial institute, knowledge management model, organisational knowledge

Procedia PDF Downloads 356
2673 Ethnic Xenophobia as Symbolic Politics: An Explanation of Anti-Migrant Activity from Brussels to Beirut

Authors: Annamarie Rannou, Horace Bartilow

Abstract:

Global concerns about xenophobic activity are on the rise across developed and developing countries. And yet, social science scholarship has almost exclusively examined xenophobia as a prejudice of advanced western nations. This research argues that the fields of study related to xenophobia must be re-conceptualized within a framework of ethnicity in order to level the playing field for cross-regional inquiry. This study develops a new concept of ethnic xenophobia and integrates existing explanations of anti-migrant expression into theories of ethnic threat. We argue specifically that political elites convert economic, political, and social threats at the national level into ethnic xenophobic activity in order to gain or maintain political advantage among their native selectorate. We expand on Stuart Kaufman’s theory of symbolic politics to underscore the methods of mobilization used against migrants and the power of elite discourse in moments of national crises. An original dataset is used to examine over 35,000 cases of ethnic xenophobic activity targeting refugees. Wordscores software is used to develop a unique measure of anti-migrant elite rhetoric which captures the symbolic discourse of elites in their mobilization of ethnic xenophobic activism. We use a Structural Equation Model (SEM) to test the causal pathways of the theory across seventy-two developed and developing countries from 1990 to 2016. A framework of Most Different Systems Design (MDSD) is also applied to two pairs of developed-developing country cases, including Kenya and the Netherlands and Lebanon and the United States. This study sheds tremendous light on an underrepresented area of comparative research in migration studies. It shows that the causal elements of anti-migrant activity are far more similar than existing research suggests which has major implications for policy makers, practitioners, and academics in fields of migration protection and advocacy. It speaks directly to the mobilization of myths surrounding refugees, in particular, and the nationalization of narratives of migration that may be neutralized by the development of deeper associational relationships between natives and migrants.

Keywords: refugees, ethnicity, symbolic politics, elites, migration, comparative politics

Procedia PDF Downloads 140
2672 Autonomous Ground Vehicle Navigation Based on a Single Camera and Image Processing Methods

Authors: Auday Al-Mayyahi, Phil Birch, William Wang

Abstract:

A vision system-based navigation for autonomous ground vehicle (AGV) equipped with a single camera in an indoor environment is presented. A proposed navigation algorithm has been utilized to detect obstacles represented by coloured mini- cones placed in different positions inside a corridor. For the recognition of the relative position and orientation of the AGV to the coloured mini cones, the features of the corridor structure are extracted using a single camera vision system. The relative position, the offset distance and steering angle of the AGV from the coloured mini-cones are derived from the simple corridor geometry to obtain a mapped environment in real world coordinates. The corridor is first captured as an image using the single camera. Hence, image processing functions are then performed to identify the existence of the cones within the environment. Using a bounding box surrounding each cone allows to identify the locations of cones in a pixel coordinate system. Thus, by matching the mapped and pixel coordinates using a projection transformation matrix, the real offset distances between the camera and obstacles are obtained. Real time experiments in an indoor environment are carried out with a wheeled AGV in order to demonstrate the validity and the effectiveness of the proposed algorithm.

Keywords: autonomous ground vehicle, navigation, obstacle avoidance, vision system, single camera, image processing, ultrasonic sensor

Procedia PDF Downloads 298
2671 Assessing Building Rooftop Potential for Solar Photovoltaic Energy and Rainwater Harvesting: A Sustainable Urban Plan for Atlantis, Western Cape

Authors: Adedayo Adeleke, Dineo Pule

Abstract:

The ongoing load-shedding in most parts of South Africa, combined with climate change causing severe drought conditions in Cape Town, has left electricity consumers seeking alternative sources of power and water. Solar energy, which is abundant in most parts of South Africa and is regarded as a clean and renewable source of energy, allows for the generation of electricity via solar photovoltaic systems. Rainwater harvesting is the collection and storage of rainwater from building rooftops, allowing people without access to water to collect it. The lack of dependable energy and water source must be addressed by shifting to solar energy via solar photovoltaic systems and rainwater harvesting. Before this can be done, the potential of building rooftops must be assessed to determine whether solar energy and rainwater harvesting will be able to meet or significantly contribute to Atlantis industrial areas' electricity and water demands. This research project presents methods and approaches for automatically extracting building rooftops in Atlantis industrial areas and evaluating their potential for solar photovoltaics and rainwater harvesting systems using Light Detection and Ranging (LiDAR) data and aerial imagery. The four objectives were to: (1) identify an optimal method of extracting building rooftops from aerial imagery and LiDAR data; (2) identify a suitable solar radiation model that can provide a global solar radiation estimate of the study area; (3) estimate solar photovoltaic potential overbuilding rooftop; and (4) estimate the amount of rainwater that can be harvested from the building rooftop in the study area. Mapflow, a plugin found in Quantum Geographic Information System(GIS) was used to automatically extract building rooftops using aerial imagery. The mean annual rainfall in Cape Town was obtained from a 29-year rainfall period (1991- 2020) and used to calculate the amount of rainwater that can be harvested from building rooftops. The potential for rainwater harvesting and solar photovoltaic systems was assessed, and it can be concluded that there is potential for these systems but only to supplement the existing resource supply and offer relief in times of drought and load-shedding.

Keywords: roof potential, rainwater harvesting, urban plan, roof extraction

Procedia PDF Downloads 110
2670 Improving the Quality of Staff Performance with a Talent-Driven Approach: Case Study of SAIPA Automotive Manufacturing Company in Iran

Authors: Abdolmajid Mosleh, Afzal Ghasimi

Abstract:

The purpose of this research is to investigate and identify effective factors that can improve the quality of personal performance in industrial companies. In the present study, it was assumed that the hidden variables of talent management could be explained by an important part of the variance in improving the quality of employee performance. This research is targeted in terms of applied research. The statistical population of the research is SAIPA automobile company with a number (N=10291); the sample of 380 people was selected based on the Cochran formula in a random sampling method among employed people. The measurement tool in this research was a questionnaire of 33 items with a control questionnaire that included two talent management departments (talent identification and talent exploitation) and improvements in staff performance (enhancement of technical and specialized capabilities, managerial capability, organizational interaction, and communication). The reliability of the internal consistency method was confirmed by the Cronbach's alpha coefficient and the two half-ways. In order to determine the validity of the questionnaire structure, confirmatory factor analysis was used. Based on the results of the data analysis, the effect of talent management on improving the quality of staff performance was confirmed. Based on the results of inferential statistics and structural equations of the proposed model, it had high fitness.

Keywords: employee performance, talent management, performance improvement, SAIPA automobile manufacturing company

Procedia PDF Downloads 88
2669 Mechanism of Melanin Inhibition of Morello Flavone- 7″- Sulphate and Sargaol extracts from Garcinia livingstonei (Clusiaceae): Homology Modelling, Molecular Docking, and Molecular Dynamics Simulations

Authors: Ncoza Dlova, Tivani Mashamba-Thompson

Abstract:

Garcinia livingstonei (Clusiaceae) extracts, morelloflavone- 7″- sulphate and sargaol were shown to be effective against hyper-pigmentation through inhibition of tyrosinase enzyme, in vitro . The aim of this study is to elucidate the structural mechanism through which morelloflavone- 7″- sulphate and sargaol binds human tyrosinase. Implementing a homology model to construct a tyrosinase model using the crystal structure of a functional unit from Octopus hemocyanin (PDB: 1JS8) as a reference template enabled us to create a human tyrosinase model. Molecular dynamics and binding free energy calculations were optimized to enable molecular dynamics simulation of the copper dependent inhibitors. Results show the importance of the hydrogen bond formation morelloflavone- 7″- sulphate and sargaol between compound and active site residues. Both complexes demonstrated the metallic coordination between compound and arginine residue as well as copper ions within the active site. The comprehensive molecular insight gained from this study should be vital in understanding the binding mechanism morelloflavone- 7″- sulphate and sargaol. Moreover, these results will assist in the design of novel of metal ion dependent enzyme inhibitors as potential anti-hyper-pigmentation disorder therapies.

Keywords: hyper-pigmentation disorders, dyschromia African skin, morelloflavone- 7″- sulphate, sagoal

Procedia PDF Downloads 400