Search results for: Khalid Iqbal
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 434

Search results for: Khalid Iqbal

134 Effect of Different Level of Pomegranate Molasses on Performance, Egg Quality Trait, Serological and Hematological Parameters in Older Laying Hens

Authors: Ismail Bayram, Aamir Iqbal, E. Eren Gultepe, Cangir Uyarlar, Umit Ozcınar, I. Sadi Cetingul

Abstract:

The current study was planned with the objective to explore the potential of pomegranate molasses (PM) on performance, egg quality and blood parameters in older laying hens. A total of 240 Babcock white laying hens (52 weeks old) were divided into 5 groups (n=48) with 8 subgroups having 6 hens in each. Pomegranate molasses was added in the drinking water to experimental groups with 0 %, 0.1%, 0.25 %, 0.5%, and 1%, respectively during one month. In our results, egg weight values were remained the same in all pomegranate molasses supplemented groups except 1% group over control. However, feed consumption, egg production, feed conversion ratio (FCR), egg mass, egg yolk cholesterol, body weights, and water consumption remained unaffected (P > 0.05). During mid-study (15 Days) analyses, egg quality parameters such as Haugh unit, eggshell thickness, albumin index, yolk index, and egg yolk color were remained non-significant (P > 0.05) while after final (30 Days) egg analyses, only egg yolk color had positively (P < 0.05) increased in 0.5% group. Moreover, Haugh unit, eggshell thickness, and albumin index were not significantly (P > 0.05) affected by the supplementation of pomegranate molasses. Regarding serological parameters, pomegranate molasses did not show any positive effect on cholesterol, total protein, LDL, HDL, GGT, AST, ALT, and glucose level. Similarly, pomegranate molasses also showed non-significant (P > 0.05) results on different blood parameters such as HCT, RBC, MCV, MCH, MCHC, PLT, RDWC, MPV except hemoglobin level. Only hemoglobin level was increased in all experimental groups over control showing that pomegranate molasses can be used as an enhancer in animals with low hemoglobin level.

Keywords: pomegranate molasses, laying hen, egg yield, blood parameters

Procedia PDF Downloads 125
133 What Determine Corporate Board Diligence: Evidence from Sultanate of Oman

Authors: Badar Khalid Hakim Alshabibi

Abstract:

This study aims to examine the determinants of corporate board diligence in the listed firm in Sultanate of Oman, using four corporate board characteristics, the board size, board independence, board gender diversity, and nationality diversity. Design/methodology/approach: Using a sample comprised of all companies listed in the Muscat Securities Exchange over a ten-year period (2009–2019), the study applies Pooled OLS regression to examine the determinants of corporate board diligence. Findings: Drawing from the agency theory and institutional theory, the results reveal that the number of independent board members had statistical significance, suggesting that board independence can improve corporate board diligence, though board size and nationality diversity were found to have a negative association with corporate board diligence. There is no evidence, however, that board gender diversity improves corporate board diligence. Practical implications: The study provides insights for both the investors and regulatory authorities in developing economies. For the investors to be aware about the corporate board characteristics which enhance board monitoring, and for the regulatory authorities to consider revising the corporate governance codes which enhance the quality of governance practices. Originality/value: The study provides new evidence documenting the determinants of corporate board diligence in a developing country such as the Sultanate of Oman, which has a high potential for growth and attracting foreign investment, as stated in Oman vision 2040. In addition, this paper is the first to examine the association between corporate board diligence and corporate board diversity aspects.

Keywords: board diligence, board monitoring, board composition, board diversity, oman

Procedia PDF Downloads 181
132 The Effect of Development of Two-Phase Flow Regimes on the Stability of Gas Lift Systems

Authors: Khalid. M. O. Elmabrok, M. L. Burby, G. G. Nasr

Abstract:

Flow instability during gas lift operation is caused by three major phenomena – the density wave oscillation, the casing heading pressure and the flow perturbation within the two-phase flow region. This paper focuses on the causes and the effect of flow instability during gas lift operation and suggests ways to control it in order to maximise productivity during gas lift operations. A laboratory-scale two-phase flow system to study the effects of flow perturbation was designed and built. The apparatus is comprised of a 2 m long by 66 mm ID transparent PVC pipe with air injection point situated at 0.1 m above the base of the pipe. This is the point where stabilised bubbles were visibly clear after injection. Air is injected into the water filled transparent pipe at different flow rates and pressures. The behavior of the different sizes of the bubbles generated within the two-phase region was captured using a digital camera and the images were analysed using the advanced image processing package. It was observed that the average maximum bubbles sizes increased with the increase in the length of the vertical pipe column from 29.72 to 47 mm. The increase in air injection pressure from 0.5 to 3 bars increased the bubble sizes from 29.72 mm to 44.17 mm and then decreasing when the pressure reaches 4 bars. It was observed that at higher bubble velocity of 6.7 m/s, larger diameter bubbles coalesce and burst due to high agitation and collision with each other. This collapse of the bubbles causes pressure drop and reverse flow within two phase flow and is the main cause of the flow instability phenomena.

Keywords: gas lift instability, bubbles forming, bubbles collapsing, image processing

Procedia PDF Downloads 393
131 Population Structure Analysis of Pakistani Indigenous Cattle Population by Using High Density SNP Array

Authors: Hamid Mustafa, Huson J. Heather, Kim Eiusoo, McClure Matt, Khalid Javed, Talat Nasser Pasha, Afzal Ali1, Adeela Ajmal, Tad Sonstegard

Abstract:

Genetic differences associated with speciation, breed formation or local adaptation can help to preserve and effective utilization of animals in selection programs. Analyses of population structure and breed diversity have provided insight into the origin and evolution of cattle. In this study, we used a high-density panel of SNP markers to examine population structure and diversity among ten Pakistani indigenous cattle breeds. In total, 25 individuals from three cattle populations, including Achi (n=08), Bhagnari (n=04) and Cholistani (n=13) were genotyped for 777, 962 single nucleotide polymorphism (SNP) markers. Population structure was examined using the linkage model in the program STRUCTURE. After characterizing SNP polymorphism in the different populations, we performed a detailed analysis of genetic structure at both the individual and population levels. The whole-genome SNP panel identified several levels of population substructure in the set of examined cattle breeds. We further searched for spatial patterns of genetic diversity among these breeds under the recently developed spatial principal component analysis framework. Overall, such high throughput genotyping data confirmed a clear partitioning of the cattle genetic diversity into distinct breeds. The resulting complex historical origins associated with both natural and artificial selection have led to the differentiation of numerous different cattle breeds displaying a broad phenotypic variety over a short period of time.

Keywords: Pakistan, cattle, genetic diversity, population structure

Procedia PDF Downloads 586
130 Revealing Potential Drug Targets against Proto-Oncogene Wnt10B by Comparative Molecular Docking

Authors: Shazia Mannan, Zunera Khalid, Hammad-Ul-Mubeen

Abstract:

Wingless type Mouse mammary tumor virus (MMTV) Integration site-10B (Wnt10B) is an important member of the Wnt protein family that functions as cellular messenger in paracrine manner. Aberrant Wnt10B activity is the cause of several abnormalities including cancers of breast, cervix, liver, gastric tract, esophagus, pancreas as well as physiological problems like obesity, and osteoporosis. The objective of this study was to determine the possible inhibitors against aberrant expression of Wnt10B in order to prevent and treat the physiological disorders associated with it. Wnt10B3D structure was predicted by using comparative modeling and then analyzed by PROCHECK, Verify3D, and Errat. The model having 84.54% quality value was selected and acylated to satisfy the hydrophobic nature of Wnt10B. For search of inhibitors, virtual screening was performed on Natural Products (NP) database. The compounds were filtered and ligand-based screening was performed using the antagonist for mouse Wnt-3A. This resulted in a library of 272 unique compounds having most potent drug like activities for Wnt-4. Out of the 271 molecules analyzed three small molecules ZINC35442871, ZINC85876388, and ZINC00754234 having activity against Wnt4 abbarent expression were found common through docking experiment of Wnt10B. It is concluded that the three molecules ZINC35442871, ZINC85876388, and ZINC00754234 can be considered as lead compounds for performing further drug designing experiments against aberrant Wnt expressions.

Keywords: Wnt10B inhibitors, comparative computational studies, proto-oncogene, molecular docking

Procedia PDF Downloads 131
129 Investigating the Significance of Ground Covers and Partial Root Zone Drying Irrigation for Water Conservation Weed Suppression and Quality Traits of Wheat

Authors: Muhammad Aown Sammar Raza, Salman Ahmad, Muhammad Farrukh Saleem, Muhammad Saqlain Zaheer, Rashid Iqbal, Imran Haider, Muhammad Usman Aslam, Muhammad Adnan Nazar

Abstract:

One of the main negative effects of climate change is the increasing scarcity of water worldwide, especially for irrigation purpose. In order to ensure food security with less available water, there is a need to adopt easy and economic techniques. Two of the effective techniques are; use of ground covers and partial root zone drying (PRD). A field experiment was arranged to find out the most suitable mulch for PRD irrigation system in wheat. The experiment was comprised of two irrigation methods (I0 = irrigation on both sides of roots and I1= irrigation to only one side of the root as alternate irrigation) and four ground covers (M0= open ground without any cover, M1= black plastic cover, M2= wheat straw cover and M4= cotton sticks cover). More plant height, spike length, number of spikelets and number of grains were found in full irrigation treatment. While water use efficiency and grain nutrient (NPK) contents were more in PRD irrigation. All soil covers suppress the weeds and significantly influenced the yield attributes, final yield as well as the grain nutrient contents. However black plastic cover performed the best. It was concluded that joint use of both techniques was more effective for water conservation and increasing grain yield than their sole application and combination of PRD with black plastic mulch performed the best than other ground covers combination used in the experiment.

Keywords: ground covers, partial root zone drying, grain yield, quality traits, WUE, weed control efficiency

Procedia PDF Downloads 212
128 Evolution of DNA-Binding With-One-Finger Transcriptional Factor Family in Diploid Cotton Gossypium raimondii

Authors: Waqas Shafqat Chattha, Muhammad Iqbal, Amir Shakeel

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Transcriptional factors are proteins that play a vital role in regulating the transcription of target genes in different biological processes and are being widely studied in different plant species. In the current era of genomics, plant genomes sequencing has directed to the genome-wide identification, analyses and categorization of diverse transcription factor families and hence provide key insights into their structural as well as functional diversity. The DNA-binding with One Finger (DOF) proteins belongs to C2-C2-type zinc finger protein family. DOF proteins are plant-specific transcription factors implicated in diverse functions including seed maturation and germination, phytohormone signalling, light-mediated gene regulation, cotton-fiber elongation and responses of the plant to biotic as well as abiotic stresses. In this context, a genome-wide in-silico analysis of DOF TF family in diploid cotton species i.e. Gossypium raimondii has enabled us to identify 55 non-redundant genes encoding DOF proteins renamed as GrDofs (Gossypium raimondii Dof). Gene distribution studies have shown that all of the GrDof genes are unevenly distributed across 12 out of 13 G. raimondii chromosomes. The gene structure analysis illustrated that 34 out of 55 GrDof genes are intron-less while remaining 21 genes have a single intron. Protein sequence-based phylogenetic analysis of putative 55 GrDOFs has divided these proteins into 5 major groups with various paralogous gene pairs. Molecular evolutionary studies aided with the conserved domain as well as gene structure analysis suggested that segmental duplications were the principal contributors for the expansion of Dof genes in G. raimondii.

Keywords: diploid cotton , G. raimondii, phylogenetic analysis, transcription factor

Procedia PDF Downloads 119
127 An Innovative Use of Flow Columns in Electrocoagulation Reactor to Control Water Temperature

Authors: Khalid S. Hashim, Andy Shaw, Rafid Alkhaddar, David Phipps, Ortoneda Pedrola

Abstract:

Temperature is an essential parameter in the electrocoagulation process (EC) as it governs the solubility of electrodes and the precipitates and the collision rate of particles in water being treated. Although it has been about 100 years since the EC technology was invented and applied in water and wastewater treatment, the effects of temperature on the its performance were insufficiently investigated. Thus, the present project aims to fill this gap by an innovative use of perforated flow columns in the designing of a new EC reactor (ECR1). The new reactor (ECR1) consisted of a Perspex made cylinder container supplied with a flow column consisted of perorated discoid electrodes that made from aluminium. The flow column has been installed vertically, half submerged in the water being treated, inside a plastic cylinder. The unsubmerged part of the flow column works as a radiator for the water being treated. In order to investigate the performance of ECR1; water samples with different initial temperatures (15, 20, 25, 30, and 35 °C) to the ECR1 for 20 min. Temperature of effluent water samples were measured using Hanna meter (Model: HI 98130). The obtained results demonstrated that the ECR1 reduced water temperature from 35, 30, and 25 °C to 24.6, 23.8, and 21.8 °C respectively. While low water temperature, 15 °C, increased slowly to reach 19.1 °C after 15 minutes and kept the same level till the end of the treatment period. At the same time, water sample with initial temperature of 20 °C showed almost a steady level of temperature along the treatment process, where the temperature increased negligibly from 20 to 20.1 °C after 20 minutes of treatment. In conclusion, ECR1 is able to control the temperature of water being treated around the room temperature even when the initial temperature was high (35 °C) or low (15 °C).

Keywords: electrocoagulation, flow column, treatment, water temperature

Procedia PDF Downloads 398
126 Acetic Acid Assisted Phytoextraction of Chromium (Cr) by Energy Crop (Arundo donax L.) in Cr Contaminated Soils

Authors: Muhammad Iqbal, Hafiz Muhammad Tauqeer, Hamza Rafaqat, Muhammad Naveed, Muhammad Awais Irshad

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Soil pollution with chromium (Cr) has become one of the most important concerns due to its toxicity for humans. To date, various remediation approaches have been employed for the remediation and management of Cr contaminated soils. Phytoextraction is an eco-friendly and emerging remediation approach which has gained attention due to several advantages over conventional remediation approach. The use of energy crops for phytoremediation is an emerging trend worldwide. These energy crops have high tolerance against various environmental stresses, the potential to grow in diverse ecosystems and high biomass production make them a suitable candidate for phytoremediation of contaminated soils. The removal efficiency of plants in phytoextraction depends upon several soil and plant factors including solubility, bioavailability and metal speciation in soils. A pot scale experiment was conducted to evaluate the phytoextraction potential of Arundo donax L. with the application of acetic acid (A.A) in Cr contaminated soils. Plants were grown in pots filled with 5 kg soils for 90 days. After 30 days plants acclimatization in pot conditions, plants were treated with various levels of Cr (2.5 mM, 5 mM, 7.5 mM, 10 mM) and A.A (Cr 2.5 mM + A.A 2.5 mM, Cr 5 mM + A.A 2.5 mM, Cr 7.5 mM + A.A 2.5 mM, Cr 10 mM + A.A 2.5 mM). The application of A.A significantly increased metal uptake and in roots and shoots of A. donax. This increase was observed at Cr 7.5 mM + A.A 2.5 mM but at high concentrations, visual symptoms of Cr toxicity were observed on leaves. Similarly, A.A applications also affect the activities of key enzymes including catalase (CAT), superoxidase dismutase (SOD), and ascorbate peroxidase (APX) in leaves of A. donax. Based on results it is concluded that the applications of A.A acid for phytoextraction is an alternative approach for the management of Cr affected soils and synthetic chelators should be replaced with organic acids.

Keywords: acetic acid, A. donax, chromium, energy crop, phytoextraction

Procedia PDF Downloads 352
125 Fish Scales as a Nonlethal Screening Tools for Assessing the Effects of Surface Water Contaminants in Cyprinus Carpio

Authors: Shahid Mahboob, Hafiz Muhammad Ashraf, Salma Sultana, Tayyaba Sultana, Khalid Al-Ghanim, Fahid Al-Misned, Zubair Ahmedd

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There is an increasing need for an effective tool to estimate the risks derived from the large number of pollutants released to the environment by human activities. Typical screening procedures are highly invasive or lethal to the fish. Recent studies show that fish scales biochemically respond to a range of contaminants, including toxic metals, organic compounds, and endocrine disruptors. The present study evaluated the effects of the surface water contaminants on Cyprinus carpio in the Ravi River by comparing DNA extracted non-lethally from their scales to DNA extracted from the scales of fish collected from a controlled fish farm. A single, random sampling was conducted. Fish were broadly categorised into three weight categories (W1, W2 and W3). The experimental samples in the W1, W2 and W3 categories had an average DNA concentration (µg/µl) that was lower than the control samples. All control samples had a single DNA band; whereas the experimental samples in W1 fish had 1 to 2 bands, the experimental samples in W2 fish had two bands and the experimental samples in W3 fish had fragmentation in the form of three bands. These bands exhibit the effects of pollution on fish in the Ravi River. On the basis findings of this study, we propose that fish scales can be successfully employed as a new non-lethal tool for the evaluation of the effect of surface water contaminants.

Keywords: fish scales, Cyprinus carpio, heavy metals, non-invasive, DNA fragmentation

Procedia PDF Downloads 360
124 Physiological and Biochemical Based Analysis to Assess the Efficacy of Mulch under Partial Root Zone Drying in Wheat

Authors: Salman Ahmad, Muhammad Aown Sammar Raza, Muhammad Farrukh Saleem, Rashid Iqbal, Muhammad Saqlain Zaheer, Muhammad Usman Aslam, Imran Haider, Muhammad Adnan Nazar, Muhammad Ali

Abstract:

Among the various abiotic stresses, drought stress is one of the most challenging for field crops. Wheat is one of the major staple food of the world, which is highly affected by water deficit stress in the current scenario of climate change. In order to ensure food security by depleting water resources, there is an urgent need to adopt technologies which result in sufficient crop yield with less water consumption. Mulching and partial rootzone drying (PRD) are two important management techniques used for water conservation and to mitigate the negative impacts of drought. The experiment was conducted to screen out the best-suited mulch for wheat under PRD system. Two water application techniques (I1= full irrigation I2= PRD irrigation) and four mulch treatments (M0= un-mulched, M1= black plastic mulch, M2= wheat straw mulch and M4= cotton sticks mulch) were conducted in completely randomized design with four replications. The treatment, black plastic mulch was performed the best than other mulch treatments. For irrigation levels, higher values of growth, physiological and water-related parameters were recorded in control treatment while, quality traits and enzymatic activities were higher under partial root zone drying. The current study concluded that adverse effects of drought on wheat can be significantly mitigated by using mulches but black plastic mulch was best suited for partial rootzone drying irrigation system in wheat.

Keywords: antioxidants, leaf water relations, Mulches, osmolytes, partial root zone drying, photosynthesis

Procedia PDF Downloads 230
123 Competitor Integration with Voice of Customer Ratings in QFD Studies Using Geometric Mean Based on AHP

Authors: Zafar Iqbal, Nigel P. Grigg, K. Govindaraju, Nicola M. Campbell-Allen

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Quality Function Deployment (QFD) is structured approach. It has been used to improve the quality of products and process in a wide range of fields. Using this systematic tool, practitioners normally rank Voice of Customer ratings (VoCs) in order to produce Improvement Ratios (IRs) which become the basis for prioritising process / product design or improvement activities. In one matrix of the House of Quality (HOQ) competitors are rated. The method of obtaining improvement ratios (IRs) does not always integrate the competitors’ rating in a systematic way that fully utilises competitor rating information. This can have the effect of diverting QFD practitioners’ attention from a potentially important VOC to less important VOC. In order to enhance QFD analysis, we present a more systematic method for integrating competitor ratings, utilising the geometric mean of the customer rating matrix. In this paper we develop a new approach, based on the Analytic Hierarchy Process (AHP), in which we generating a matrix of multiple comparisons of all competitors, and derive a geometric mean for each competitor. For each VOC an improved IR is derived which-we argue herein - enhances the initial VOC importance ratings by integrating more information about competitor performance. In this way, our method can help overcome one of the possible shortcomings of QFD. We then use a published QFD example from literature as a case study to demonstrate the use of the new AHP-based IRs, and show how these can be used to re-rank existing VOCs to -arguably- better achieve the goal of customer satisfaction in relation VOC ratings and competitors’ rankings. We demonstrate how two dimensional AHP-based geometric mean derived from the multiple competitor comparisons matrix can be useful for analysing competitors’ rankings. Our method utilises an established methodology (AHP) applied within an established application (QFD), but in an original way (through the competitor analysis matrix), to achieve a novel improvement.

Keywords: quality function deployment, geometric mean, improvement ratio, AHP, competitors ratings

Procedia PDF Downloads 335
122 On the Development of Medical Additive Manufacturing in Egypt

Authors: Khalid Abdelghany

Abstract:

Additive Manufacturing (AM) is the manufacturing technology that is used to fabricate fast products direct from CAD models in very short time and with minimum operation steps. Jointly with the advancement in medical computer modeling, AM proved to be a very efficient tool to help physicians, orthopedic surgeons and dentists design and fabricate patient-tailored surgical guides, templates and customized implants from the patient’s CT / MRI images. AM jointly with computer-assisted designing/computer-assisted manufacturing (CAD/CAM) technology have enabled medical practitioners to tailor physical models in a patient-and purpose-specific fashion and helped to design and manufacture of templates, appliances and devices with a high range of accuracy using biocompatible materials. In developing countries, there are some technical and financial limitations of implementing such advanced tools as an essential portion of medical applications. CMRDI institute in Egypt has been working in the field of Medical Additive Manufacturing since 2003 and has assisted in the recovery of hundreds of poor patients using these advanced tools. This paper focuses on the surgical and dental use of 3D printing technology in Egypt as a developing country. The presented case studies have been designed and processed using the software tools and additive manufacturing machines in CMRDI through cooperative engineering and medical works. Results showed that the implementation of the additive manufacturing tools in developed countries is successful and could be economical comparing to long treatment plans.

Keywords: additive manufacturing, dental and orthopeadic stents, patient specific surgical tools, titanium implants

Procedia PDF Downloads 282
121 Development of a Roadmap for Assessment the Sustainability of Buildings in Saudi Arabia Using Building Information Modeling

Authors: Ibrahim A. Al-Sulaihi, Khalid S. Al-Gahtani, Abdullah M. Al-Sugair, Aref A. Abadel

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Achieving environmental sustainability is one of the important issues considered in many countries’ vision. Green/Sustainable building is widely used terminology for describing a friendly environmental construction. Applying sustainable practices has a significant importance in various fields, including construction field that consumes an enormous amount of resource and causes a considerable amount of waste. The need for sustainability is increased in the regions that suffering from the limitation of natural resource and extreme weather conditions such as Saudi Arabia. Since buildings designs are getting sophisticated, the need for tools, which support decision-making for sustainability issues, is increasing, especially in the design and preconstruction stages. In this context, Building Information Modeling (BIM) can aid in performing complex building performance analyses to ensure an optimized sustainable building design. Accordingly, this paper introduces a roadmap towards developing a systematic approach for presenting the sustainability of buildings using BIM. The approach includes set of main processes including; identifying the sustainability parameters that can be used for sustainability assessment in Saudi Arabia, developing sustainability assessment method that fits the special circumstances in the Kingdom, identifying the sustainability requirements and BIM functions that can be used for satisfying these requirements, and integrating these requirements with identified functions. As a result, the sustainability-BIM approach can be developed which helps designers in assessing the sustainability and exploring different design alternatives at the early stage of the construction project.

Keywords: green buildings, sustainability, BIM, rating systems, environment, Saudi Arabia

Procedia PDF Downloads 354
120 Microstructures and Chemical Compositions of Quarry Dust As Alternative Building Material in Malaysia

Authors: Abdul Murad Zainal Abidin, Tuan Suhaimi Salleh, Siti Nor Azila Khalid, Noryati Mustapa

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Quarry dust is a quarry end product from rock crushing processes, which is a concentrated material used as an alternative to fine aggregates for concreting purposes. In quarrying activities, the rocks are crushed into aggregates of varying sizes, from 75mm until less than 4.5 mm, the size of which is categorized as quarry dust. The quarry dust is usually considered as waste and not utilized as a recycled aggregate product. The dumping of the quarry dust at the quarry plant poses the risk of environmental pollution and health hazard. Therefore, the research is an attempt to identify the potential of quarry dust as an alternative building material that would reduce the materials and construction costs, as well as contribute effort in mitigating depletion of natural resources. The objectives are to conduct material characterization and evaluate the properties of fresh and hardened engineering brick with quarry dust mix proportion. The microstructures of quarry dust and the bricks were investigated using scanning electron microscopy (SEM), and the results suggest that the shape and surface texture of quarry dust is a combination of hard and angular formation. The chemical composition of the quarry dust was also evaluated using X-ray fluorescence (XRF) and compared against sand and concrete. The quarry dust was found to have a higher presence of alumina (Al₂O₃), indicating the possibility of an early strength effect for brick. They are utilizing quarry dust waste as replacement material has the potential of conserving non-renewable resources as well as providing a viable alternative to disposal of current quarry waste.

Keywords: building materials, cement replacement, quarry microstructure, quarry product, sustainable materials

Procedia PDF Downloads 152
119 A Gene Selection Algorithm for Microarray Cancer Classification Using an Improved Particle Swarm Optimization

Authors: Arfan Ali Nagra, Tariq Shahzad, Meshal Alharbi, Khalid Masood Khan, Muhammad Mugees Asif, Taher M. Ghazal, Khmaies Ouahada

Abstract:

Gene selection is an essential step for the classification of microarray cancer data. Gene expression cancer data (DNA microarray) facilitates computing the robust and concurrent expression of various genes. Particle swarm optimization (PSO) requires simple operators and less number of parameters for tuning the model in gene selection. The selection of a prognostic gene with small redundancy is a great challenge for the researcher as there are a few complications in PSO based selection method. In this research, a new variant of PSO (Self-inertia weight adaptive PSO) has been proposed. In the proposed algorithm, SIW-APSO-ELM is explored to achieve gene selection prediction accuracies. This new algorithm balances the exploration capabilities of the improved inertia weight adaptive particle swarm optimization and the exploitation. The self-inertia weight adaptive particle swarm optimization (SIW-APSO) is used to search the solution. The SIW-APSO is updated with an evolutionary process in such a way that each particle iteratively improves its velocities and positions. The extreme learning machine (ELM) has been designed for the selection procedure. The proposed method has been to identify a number of genes in the cancer dataset. The classification algorithm contains ELM, K- centroid nearest neighbor (KCNN), and support vector machine (SVM) to attain high forecast accuracy as compared to the start-of-the-art methods on microarray cancer datasets that show the effectiveness of the proposed method.

Keywords: microarray cancer, improved PSO, ELM, SVM, evolutionary algorithms

Procedia PDF Downloads 52
118 The Impact of Organizational Culture on Internet Marketing Adoption

Authors: Hafiz Mushtaq Ahmad, Syed Faizan Ali Shah, Bushra Hussain, Muneeb Iqbal

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Purpose: The purpose of this study is to investigate the impact of organizational culture on internet marketing adoption. Moreover, the study intends to explore the role of organizational culture in the internet marketing adoption that helps business to achieve organizational growth and augmented market share. Background: With the enormous expansion of technology, organizations now need technology-based marketing paradigm in order to capture larger group of customers. Organizational culture plays a dominant and prominent role in the internet marketing adoption. Changes in the world economy have demolished current organizational competition and generating new technology standards and strategies. With all the technological advances, e-marketing has become one of the essential part of marketing strategies. Organizations require advance internet marketing strategies in order to compete in a global market. Methodology: The population of this study consists of telecom sector organizations of Pakistan. The sample size consists of 200 telecom sector employees. Data were gathered through the questionnaire instrument. The research strategy of this study is survey. The study uses a deductive approach. The sampling technique of this study is convenience sampling. Tentative Results: The study reveals that organizational culture played a vital role in the internet marketing adoption. The results show that there is a strong association between the organizational culture and internet marketing adoption. The results further show that flexible organizational culture helps organization to easily adopt internet marketing. Conclusion: The study discloses that flexible organizational culture helps organizations to easily adopt e-marketing. The study guides decision-makers and owners of organizations to recognize the importance of internet marketing strategy and help them to increase market share by using e-marketing. The study offers solution to the managers to develop flexible organizational culture that helps in internet marketing adoption.

Keywords: internet technology, internet marketing, marketing paradigm, organizational culture

Procedia PDF Downloads 207
117 Combining ASTER Thermal Data and Spatial-Based Insolation Model for Identification of Geothermal Active Areas

Authors: Khalid Hussein, Waleed Abdalati, Pakorn Petchprayoon, Khaula Alkaabi

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In this study, we integrated ASTER thermal data with an area-based spatial insolation model to identify and delineate geothermally active areas in Yellowstone National Park (YNP). Two pairs of L1B ASTER day- and nighttime scenes were used to calculate land surface temperature. We employed the Emissivity Normalization Algorithm which separates temperature from emissivity to calculate surface temperature. We calculated the incoming solar radiation for the area covered by each of the four ASTER scenes using an insolation model and used this information to compute temperature due to solar radiation. We then identified the statistical thermal anomalies using land surface temperature and the residuals calculated from modeled temperatures and ASTER-derived surface temperatures. Areas that had temperatures or temperature residuals greater than 2σ and between 1σ and 2σ were considered ASTER-modeled thermal anomalies. The areas identified as thermal anomalies were in strong agreement with the thermal areas obtained from the YNP GIS database. Also the YNP hot springs and geysers were located within areas identified as anomalous thermal areas. The consistency between our results and known geothermally active areas indicate that thermal remote sensing data, integrated with a spatial-based insolation model, provides an effective means for identifying and locating areas of geothermal activities over large areas and rough terrain.

Keywords: thermal remote sensing, insolation model, land surface temperature, geothermal anomalies

Procedia PDF Downloads 339
116 Machine Learning Classification of Fused Sentinel-1 and Sentinel-2 Image Data Towards Mapping Fruit Plantations in Highly Heterogenous Landscapes

Authors: Yingisani Chabalala, Elhadi Adam, Khalid Adem Ali

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Mapping smallholder fruit plantations using optical data is challenging due to morphological landscape heterogeneity and crop types having overlapped spectral signatures. Furthermore, cloud covers limit the use of optical sensing, especially in subtropical climates where they are persistent. This research assessed the effectiveness of Sentinel-1 (S1) and Sentinel-2 (S2) data for mapping fruit trees and co-existing land-use types by using support vector machine (SVM) and random forest (RF) classifiers independently. These classifiers were also applied to fused data from the two sensors. Feature ranks were extracted using the RF mean decrease accuracy (MDA) and forward variable selection (FVS) to identify optimal spectral windows to classify fruit trees. Based on RF MDA and FVS, the SVM classifier resulted in relatively high classification accuracy with overall accuracy (OA) = 0.91.6% and kappa coefficient = 0.91% when applied to the fused satellite data. Application of SVM to S1, S2, S2 selected variables and S1S2 fusion independently produced OA = 27.64, Kappa coefficient = 0.13%; OA= 87%, Kappa coefficient = 86.89%; OA = 69.33, Kappa coefficient = 69. %; OA = 87.01%, Kappa coefficient = 87%, respectively. Results also indicated that the optimal spectral bands for fruit tree mapping are green (B3) and SWIR_2 (B10) for S2, whereas for S1, the vertical-horizontal (VH) polarization band. Including the textural metrics from the VV channel improved crop discrimination and co-existing land use cover types. The fusion approach proved robust and well-suited for accurate smallholder fruit plantation mapping.

Keywords: smallholder agriculture, fruit trees, data fusion, precision agriculture

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115 Floristic Diversity, Composition and Environmental Correlates on the Arid, Coralline Islands of the Farasan Archipelago, Red SEA, Saudi Arabia

Authors: Khalid Al Mutairi, Mashhor Mansor, Magdy El-Bana, Asyraf Mansor, Saud AL-Rowaily

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Urban expansion and the associated increase in anthropogenic pressures have led to a great loss of the Red Sea’s biodiversity. Floristic composition, diversity, and environmental controls were investigated for 210 relive's on twenty coral islands of Farasan in the Red Sea, Saudi Arabia. Multivariate statistical analyses for classification (Cluster Analysis), ordination (Detrended Correspondence Analysis (DCA), and Redundancy Analysis (RDA) were employed to identify vegetation types and their relevance to the underlying environmental gradients. A total of 191 flowering plants belonging to 53 families and 129 genera were recorded. Geophytes and chamaephytes were the main life forms in the saline habitats, whereas therophytes and hemicryptophytes dominated the sandy formations and coral rocks. The cluster analysis and DCA ordination identified twelve vegetation groups that linked to five main habitats with definite floristic composition and environmental characteristics. The constrained RDA with Monte Carlo permutation tests revealed that elevation and soil salinity were the main environmental factors explaining the vegetation distributions. These results indicate that the flora of the study archipelago represents a phytogeographical linkage between Africa and Saharo-Arabian landscape functional elements. These findings should guide conservation and management efforts to maintain species diversity, which is threatened by anthropogenic activities and invasion by the exotic invasive tree Prosopis juliflora (Sw.) DC.

Keywords: biodiversity, classification, conservation, ordination, Red Sea

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114 Hybrid Heat Pump for Micro Heat Network

Authors: J. M. Counsell, Y. Khalid, M. J. Stewart

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Achieving nearly zero carbon heating continues to be identified by UK government analysis as an important feature of any lowest cost pathway to reducing greenhouse gas emissions. Heat currently accounts for 48% of UK energy consumption and approximately one third of UK’s greenhouse gas emissions. Heat Networks are being promoted by UK investment policies as one means of supporting hybrid heat pump based solutions. To this effect the RISE (Renewable Integrated and Sustainable Electric) heating system project is investigating how an all-electric heating sourceshybrid configuration could play a key role in long-term decarbonisation of heat.  For the purposes of this study, hybrid systems are defined as systems combining the technologies of an electric driven air source heat pump, electric powered thermal storage, a thermal vessel and micro-heat network as an integrated system.  This hybrid strategy allows for the system to store up energy during periods of low electricity demand from the national grid, turning it into a dynamic supply of low cost heat which is utilized only when required. Currently a prototype of such a system is being tested in a modern house integrated with advanced controls and sensors. This paper presents the virtual performance analysis of the system and its design for a micro heat network with multiple dwelling units. The results show that the RISE system is controllable and can reduce carbon emissions whilst being competitive in running costs with a conventional gas boiler heating system.

Keywords: gas boilers, heat pumps, hybrid heating and thermal storage, renewable integrated and sustainable electric

Procedia PDF Downloads 391
113 Performance of Different Biodegradable Waxes Based Specialized Pheromone and Lure Application Technology-Male Anhelation Technique-Cue Lure Formulations in Bittergourd Field against Bactrocera cucurbitae

Authors: Amna Jalal, Muhammad Dildar Gogi, Muhammad Jalal Arif, Anum Tariq, Waleed Afzal Naveed, Talha Farooq, Mubashir Iqbal, Muhammad Junaid Nisar

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Melon fruit flies (Diptera: Tephritidae: Dacinae) are economically important pests of the cucurbits and are geographically distributed throughout the tropics and subtropics of the world. It causes heavy quantitative and qualitative losses in bitter gourd. The present experiment was carried out to evaluate the performance of different biodegradable waxes based SPLAT-MAT-CL (Specialized Pheromone and Lure Application Technology-Male Anhelation Technique- Cue Lure) formulations in bitter gourd field. Fourteen SPLAT-MAT emulsions/formulations were prepared by admixing different SPLAT matrices with toxicant (spinosad) and sex pheromone cuelure (attractant) in different proportionate percentage by weight. The results revealed that attraction and trapping of fruit flies of B. cucurbitae varied significantly for different SPLAT-MAT-CL formulations (p < 0.05). The maximum B. cucurbitae males were trapped in SPLAT-MAT-CL-7 (60 flies/trap/day) followed by SPLAT-MAT-CL-9 (40 flies/trap/day). The performance of all other formulations of SPLAT-MAT-CL was found in the order of SPLAT-MAT-CL-8 (30 flies/trap/day) > SPLAT-MAT-CL-3 (28 flies/trap/day) > SPLAT-MAT-CL-5 (25 flies/trap/day) > SPLAT-MAT-CL-4 (22 flies/trap/day) > SPLAT-MAT-CL-12 (20 flies/trap/day) SPLAT-MAT-CL-2 (19 flies/trap/day) > SPLAT-MAT-CL-14 (17 flies/trap/day) > SPLAT-MAT-CL-13 (15 flies/trap/day) > SPLAT-MAT-CL-11 (10 flies/trap/day) > SPLAT-MAT-CL-1 (8 flies/trap/day) > SPLAT-MAT-CL-10 (02 flies/trap/day). Overall, all the SPLAT-MAT-CL formulations, except SPLAT-MAT-CL-10, demonstrated higher density of captures of B. cucurbitae males as compared to standard (06 flies/trap/day). The results also demonstrate that SPLAT-MAT-CL-7, SPLAT-MAT-CL-9, SPLAT-MAT-CL-8, SPLAT-MAT-CL-3, SPLAT-MAT-CL-5, SPLAT-MAT-CL-4, SPLAT-MAT-CL-12, SPLAT-MAT-CL-2, SPLAT-MAT-CL-14, SPLAT-MAT-CL-13, SPLAT-MAT-CL-11 and SPLAT-MAT-CL-1 explained approximately 5, 4.6, 4.1, 3.6, 3.3, 3.1,2.8,2.5 and 1.6 times higher captures of B. cucurbitae males over standards. However, SPLAT-MAT-CL-10 demonstrated 3 times fewer captures of B. cucurbitae males over standards. In conclusion, SPLAT-MAT-CL-7, SPLAT-MAT-CL-9 can be exploited for the monitoring and trapping of B. cucurbitae in its IPM of program.

Keywords: attractancy, field conditions, melon fruit fly, SPLAT-MAT-CL

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112 Salt Tolerance of Potato: Genetically Engineered with Atriplex canescens BADH Gene Driven by 3 Copies of CAMV35s Promoter

Authors: Arfan Ali, Muhammad Shahzad Iqbal, Idrees Ahmad Nasir

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Potato (Solanum tuberosum L.) is ranked among the top leading staple foods in the world. Salinity adversely affects potato crop yield and quality. Therefore, increased level of salt tolerance is a key factor to ensure high yield. The present study focused on the Agrobacterium-mediated transformation of Atriplex canescens betaine aldehyde dehydrogenase (BADH) gene, using single, double and triple CAMV35s promoter to improve salt tolerance in potato. Detection of seven potato lines harboring BADH gene, followed by identification of T-DNA insertions, determination of transgenes copies no through Southern Hybridization and quantification of BADH protein through Enzyme Linked Immunosorbent Assay were considered in this study. The results clearly depict that the salt tolerance of potato was found to be promoter-dependent, as the potato transgenic lines with triple promoter showed 4.4 times more glycine betaine production which consequently leads towards high resistance to salt stress as compared to transgenic potato lines with single and double promoters having least production of glycine betaine. Moreover, triple promoter transgenic potato lines have also shown lower levels of H2O2, malondialdehyde (MDA), relative electrical conductivity, high proline and chlorophyll content as compared other two lines having a single and double promoter. Insilco analysis also confirmed that Atriplex canescens BADH has the tendency to interact with sodium ions and water molecules. Taken together these facts it can be concluded that over-expression of BADH under triple CAMV35s promoter with more glycine betaine, chlorophyll & MDA contents, high relative quantities of other metabolites results in an enhanced level of salt tolerance in potato.

Keywords: Atriplex canescens, BADH, CAMV35s promotor, potato, Solanum tubersum

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111 Azadrachea indica Leaves Extract Assisted Green Synthesis of Ag-TiO₂ for Degradation of Dyes in Aqueous Medium

Authors: Muhammad Saeed, Sheeba Khalid

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Aqueous pollution due to the textile industry is an important issue. Photocatalysis using metal oxides as catalysts is one of the methods used for eradication of dyes from textile industrial effluents. In this study, the synthesis, characterization, and evaluation of photocatalytic activity of Ag-TiO₂ are reported. TiO₂ catalysts with 2, 4, 6 and 8% loading of Ag were prepared by green methods using Azadrachea indica leaves' extract as reducing agent and titanium dioxide and silver nitrate as precursor materials. The 4% Ag-TiO₂ exhibited the best catalytic activity for degradation of dyes. Prepared catalyst was characterized by advanced techniques. Catalytic degradation of methylene blue and rhodamine B were carried out in Pyrex glass batch reactor. Deposition of Ag greatly enhanced the catalytic efficiency of TiO₂ towards degradation of dyes. Irradiation of catalyst excites electrons from conduction band of catalyst to valence band yielding an electron-hole pair. These photoexcited electrons and positive hole undergo secondary reaction and produce OH radicals. These active radicals take part in the degradation of dyes. More than 90% of dyes were degraded in 120 minutes. It was found that there was no loss catalytic efficiency of prepared Ag-TiO₂ after recycling it for two times. Photocatalytic degradation of methylene blue and rhodamine B followed Eley-Rideal mechanism which states that dye reacts in fluid phase with adsorbed oxygen. 27 kJ/mol and 20 kJ/mol were found as activation energy for photodegradation of methylene blue and rhodamine B dye respectively.

Keywords: TiO₂, Ag-TiO₂, methylene blue, Rhodamine B., photo degradation

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110 An Investigation into the Current Implementation of Design-Build Contracts in the Kingdom of Saudi Arabia

Authors: Ibrahim A. Alhammad, Suleiman A. Al-Otaibi, Khalid S. Al-Gahtani, Naïf Al-Otaibi, Abdulaziz A. Bubshait

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In the last decade, the use of project delivery system of design build engineering contracts is increasing in North America due to the reasons of reducing the project duration and minimizing costs. The shift from traditional approach of Design-Bid-Build to Design-Build contracts have been attributed to many factors such as evolution of the regulatory and legal frameworks governing the engineering contracts and improvement in integrating design and construction. The aforementioned practice of contracting is more appropriate in North America; yet, it may not be the case in Saudi Arabia where the traditional approach of construction contracting remains dominant. The authors believe there are number of factors related to the gaps in the level of sophistication of the engineering and management of the construction projects in both countries. A step towards improving the Saudi construction practice by adopting the new trend of construction contracting, this paper identifies the reasons why Design/Build form of contracting are not frequently utilized. A field survey, which includes the questionnaire addressing the research problem, is distributed to three main parties of the construction contracts: clients, consultants, and contractors. The analyzed collected data were statistically sufficient to finding the reasons of not adopting the new trend of good practice of deign build approach in Saudi Arabia. In addition, the reasons are: (1) lack of regulation and legal framework; (2) absence of clear criteria of the owner for the trade-off between competing contractors, (3) and lack of experience, knowledge and skill.

Keywords: design built projects, Saudi Arabia, GCC, mega projects

Procedia PDF Downloads 188
109 Understanding Factors that Affect the Prior Knowledge of Deaf and Hard of Hearing Students and their Relation to Reading Comprehension

Authors: Khalid Alasim

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The reading comprehension levels of students who are deaf or hard of hearing (DHH) are low compared to those of their hearing peers. One possible reason for this low reading levels is related to the students’ prior knowledge. This study investigated the potential factors that might affected DHH students’ prior knowledge, including their degree of hearing loss, the presence or absence of family members with a hearing loss, and educational stage (elementary–middle school). The study also examined the contribution of prior knowledge in predicting DHH students’ reading comprehension levels, and investigated the differences in the students’ scores based on the type of questions, including text-explicit (TE), text-implicit (TI), and script-implicit (SI) questions. Thirty-one elementary and middle-school students completed a demographic form and assessment, and descriptive statistics and multiple and simple linear regressions were used to answer the research questions. The findings indicated that the independent variables—degree of hearing loss, presence or absence of family members with hearing loss, and educational stage—explained little of the variance in DHH students’ prior knowledge. Further, the results showed that the DHH students’ prior knowledge affected their reading comprehension. Finally, the result demonstrated that the participants were able to answer more of the TI questions correctly than the TE and SI questions. The study concluded that prior knowledge is important in these students’ reading comprehension, and it is also important for teachers and parents of DHH children to use effective ways to increase their students’ and children’s prior knowledge.

Keywords: reading comprehension, prior knowledge, metacognition, elementary, self-contained classrooms

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108 Implementing a Strategy of Reliability Centred Maintenance (RCM) in the Libyan Cement Industry

Authors: Khalid M. Albarkoly, Kenneth S. Park

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The substantial development of the construction industry has forced the cement industry, its major support, to focus on achieving maximum productivity to meet the growing demand for this material. Statistics indicate that the demand for cement rose from 1.6 billion metric tons (bmt) in 2000 to 4bmt in 2013. This means that the reliability of a production system needs to be at the highest level that can be achieved by good maintenance. This paper studies the extent to which the implementation of RCM is needed as a strategy for increasing the reliability of the production systems component can be increased, thus ensuring continuous productivity. In a case study of four Libyan cement factories, 80 employees were surveyed and 12 top and middle managers interviewed. It is evident that these factories usually breakdown more often than once per month which has led to a decline in productivity, they cannot produce more than 50% of their designed capacity. This has resulted from the poor reliability of their production systems as a result of poor or insufficient maintenance. It has been found that most of the factories’ employees misunderstand maintenance and its importance. The main cause of this problem is the lack of qualified and trained staff, but in addition, it has been found that most employees are not found to be motivated as a result of a lack of management support and interest. In response to these findings, it has been suggested that the RCM strategy should be implemented in the four factories. The paper shows the importance of considering the development of maintenance strategies through the implementation of RCM in these factories. The purpose of it would be to overcome the problems that could reduce the level of reliability of the production systems. This study could be a useful source of information for academic researchers and the industrial organisations which are still experiencing problems in maintenance practices.

Keywords: Libyan cement industry, reliability centred maintenance, maintenance, production, reliability

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107 Prevalence of Clostridium perfringens β2-Toxin in Type a Isolates of Sheep and Goats

Authors: Mudassar Mohiuddin, Zahid Iqbal

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Introduction: Clostridium perfringens is an important pathogen responsible for causing enteric diseases in both human and animals. The bacteria produce several toxins. These toxins play vital role in the pathogenesis of various fatal enteric diseases and are classified into five types, on the basis of the differential production of Alpha, Beta, Epsilon and Iota toxins. In addition to the so-called major toxins, there are other toxins like beta2 toxin, produced by some strains of C. perfringens which may play a role in the pathogenesis of disease. Aim of the study: In this study a multiplex PCR assay was developed and used for detection of cpb2 gene to identify the Beta2 harboring isolates among different types of C. perfringens. Objectives: The primary objective of this study was to identify the prevalence of β2-toxin gene in local isolates of Clostridium perfringens. Methodology: This was an experimental study. Random sampling technique was used. A total of 97 sheep and goats were included in this study. All were Pakistani local breeds. The samples were collected during the period from Sep, 2014 to Mar, 2015 from selected districts of Punjab province (Pakistan). Faecal samples were cultured in cooked meat media. The identification of Clostridium perfringens was made on the basis of biochemical tests. Multiplex PCR was performed to identify the toxin genes. Results: A total of 43 C. perfringens isolates were genotyped using multiplex PCR assay. The gene encoding C. perfringens β2-toxin (cpb2) was present in more than 50% of the isolates genotyped. However, the prevalence of this gene varied between sheep and goat isolates. Conclusion: The present study suggests the high occurrence of C. perfringens b2-toxin (cpb2) in the local isolates of Pakistan. As β2-toxin is present in both healthy and diseased animals, so further studies are suggested to establish the role of β2-toxin in pathogenesis of the clostridial enteric diseases.

Keywords: beta 2 toxin gene, clostridium perfringens, enteric diseases, goats, multiplex PCR, sheep

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106 Prevalence of Knee Pain and Risk Factors and Its Impact on Functional Impairment among Saudi Adolescents

Authors: Ali H.Alyami, Hussam Darraj, Faisal Hakami, Mohammed Awaf, Sulaiman Hamdi, Nawaf Bakri, Abdulaziz Saber, Khalid Hakami, Almuhanad Alyami, Mohammed khashab

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Introduction: Adolescents frequently self-report pain, according to epidemiological research. The knee is one of the sites where the pain is most common. One of the main factors contributing to the number of years people spend disabled and having substantial personal, societal, and economic burdens globally are musculoskeletal disorders. Adolescents may have knee pain due to an abrupt, traumatic injury or an insidious, slowly building onset that neither the adolescent nor the parent is aware of. Objectives: The present study’s authors aimed to estimate the prevalence of knee pain in Saudi adolescents. Methods: This cross-sectional survey, carried out from June to November 2022, included 676 adolescents ages 10 to 18. Data are presented as frequencies and percentages for categorical variables. Analysis of variance (ANOVA) was used to compare means between groups, while the chi-square test was used for the comparison of categorical variables. Statistical significance was set at P< 0.05.Result: Adolescents were invited to take part in the study. 57.5% were girls, and 42.5% were males,68.8% were 676 aged between 15 and 18. The prevalence of knee pain was considerably high among females (26%), while it was 19.2% among males. Moreover, age was a significant predictor for knee pain; also BMI was significant for knee pain. Conclusion: Our study noted a high rate of knee pain among adolescents, so we need to raise awareness about risk factors. Adolescent knee pain can be prevented with conservative methods and some minor lifestyle/activity modifications.

Keywords: knee pain, prevalence of knee pain, exercise training, physical activity

Procedia PDF Downloads 77
105 Molecular Electron Density Theory Study on the Mechanism and Selectivity of the 1,3 Dipolar Cycloaddition Reaction of N-Methyl-C-(2-Furyl) Nitrone with Activated Alkenes

Authors: Moulay Driss Mellaoui, Abdallah Imjjad, Rachid Boutiddar, Haydar Mohammad-Salim, Nivedita Acharjee, Hassan Bourzi, Souad El Issami, Khalid Abbiche, Hanane Zejli

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We have investigated the underlying molecular processes involved in the [3+2] cycloaddition (32CA) reactions between N-methyl-C-(2-furyl) nitrone and three acetylene derivatives: 4b, 5b, and 6b. For this investigation, we utilized molecular electron density theory (MEDT) and density functional theory (DFT) methods at the B3LYP-D3/6 31G (d) computational level. These 32CA reactions, which exhibit a zwitterionic (zw-type) nature, proceed through a one-step mechanism with activation enthalpies ranging from 8.80 to 14.37 kcal mol−1 in acetonitrile and ethanol solvents. When the nitrone reacts with phenyl methyl propiolate (4b), two regioisomeric pathways lead to the formation of two products: P1,5-4b and P1,4-4b. On the other hand, when the nitrone reacts with dimethyl acetylene dicarboxylate (5b) and acetylene dicarboxylic acid (but-2-ynedioic acid) (6b), it results in the formation of a single product. Through topological analysis, we can categorize the nitrone as a zwitterionic three-atom component (TAC). Furthermore, the analysis of conceptual density functional theory (CDFT) indices classifies the 32CA reactions of the nitrone with 4b, 5b, and 6b as forward electron density flux (FEDF) reactions. The study of bond evolution theory (BET) reveals that the formation of new C-C and C-O covalent bonds does not initiate in the transition states, as the intermediate stages of these reactions display pseudoradical centers of the atoms already involved in bonding.

Keywords: 4-isoxazoline, DFT/B3LYP-D3, regioselectivity, cycloaddition reaction, MEDT, ELF

Procedia PDF Downloads 137