Search results for: functional span age
1242 Arsenic Removal from Drinking Water by Hybrid Hydrogel-Biochar Matrix: An Understanding of Process Parameters
Authors: Vibha Sinha, Sumedha Chakma
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Arsenic (As) contamination in drinking water is a serious concern worldwide resulting in severe health maladies. To tackle this problem, several hydrogel based matrix which selectively uptake toxic metals from contaminated water has increasingly been examined as a potential practical method for metal removal. The major concern in hydrogels is low stability of matrix, resulting in poor performance. In this study, the potential of hybrid hydrogel-biochar matrix synthesized from natural plant polymers, specific for As removal was explored. Various compositional and functional group changes of the elements contained in the matrix due to the adsorption of As were identified. Moreover, to resolve the stability issue in hydrogel matrix, optimum and effective mixing of hydrogel with biochar was studied. Mixing varied proportions of matrix components at the time of digestion process was tested. Preliminary results suggest that partial premixing methods may increase the stability and reduce cost. Addition of nanoparticles and specific catalysts with different concentrations of As(III) and As(V) under batch conditions was performed to study their role in performance enhancement of the hydrogel matrix. Further, effect of process parameters, optimal uptake conditions and detailed mechanism derived from experimental studies were suitably conducted. This study provides an efficient, specific and a low-cost As removal method that offers excellent regeneration abilities which can be reused for value.Keywords: arsenic, catalysts, hybrid hydrogel-biochar, water purification
Procedia PDF Downloads 1931241 The Role of Public Management Development in Enhancing Public Service Delivery in the South African Local Government
Authors: Andrew Enaifoghe
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The study examined the role of public management development in enhancing public service delivery in the South African local government. The study believes that the ultimate empowerment of the third tier sphere of governments in South Africa remains the instrument required to enhance both national and continental development. This over the year has been overwhelmed with problems and imbalance related to ethical practice, accountability and the functional local government system and the machinery itself. The study finds that imbalances are being strengthened by a lack of understanding and unanimity as to what a public management development in a democratic system is and how it should work to achieve the dividends of democracy in delivering public goods. Studies indicated that the magnitudes are widespread corruption and misrepresentations of government priorities; both of which weaken the ability of governments to enhance broad-based economic growth and social well-being of the people. This study addressed the problem of public management and accountable local government. The study indicates the need for citizens’ participation in the decision-making process in delivering public service in South Africa and how its accountability mechanism supports good governance. The study concludes that good and ethical watersheds in South Africa have since reached such proportions that social pressure, the pressure from the government and various institutions have to re-consider where they stand regarding ethics, ethical behaviour, accountability and professionalism in delivering public goods to the people at the local municipal government.Keywords: accountability, development, democratic system, South Africa
Procedia PDF Downloads 1261240 Incidence of Post-Stroke Depression in a Tertiary Hospital in Cebu City, Philippines
Authors: Ivory A. Rulona, Jarungchai Anton S. Vatanagul
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Background: Depression is common after stroke with quoted rates ranging from 18% to 61%. 8 Mood disturbance is common after stroke and may present as depression or anxiety. Psychological mood disturbance is associated with higher rates of mortality, long term disability, and hospital readmission. Objectives: To investigate the incidence of post-stroke depression in a tertiary hospital in Cebu City, Philippines and to determine its associated factors. The study is designed to be prospective, descriptive, cross-sectional survey. Participants: Adult patients seen and diagnosed to have stroke either infarct or hemorrhage within the period of January 1 to July 31, 2014. Results: A total of 100 patients with stroke were interviewed using the 17-item Hamilton Depression Rating Scale (HDRS) questionnaire. The average age of the respondents was 60.50 years old ±1.18, majority were males (55%), 83% were married, and 81% were employed. The most common co-morbidity was hypertension 78% followed by diabetes mellitus at 50%. Moreover, 39% of these patients had stroke in months, 26% in years, and 18% in weeks. The average functional capacity based on Modified Rankin Scale was 2.14+/-0.14. Among 100 patients, a total of 30 patients (30%) had depression: 2 (2%) very severe, 5 (5%) moderate and 23 (23%) had mild depression while 70 patients (70%) had no depression. Stroke located at the dominant hemisphere was not associated with severe depression (p=0.102). A similar trend was also noted among those with stroke at the right side (p=0.183), pons (p=0.634), bilateral (p=0.776), and midbrain (p=0.336). Conclusion: This study showed that majority of stroke patients were males with average age of 60.50 years. Hypertension was the most common co-morbidity. There was no association between stroke location and depression. The incidence of PSD was 30%.Keywords: post-stroke depression, co-morbidity, disturbance, bilateral
Procedia PDF Downloads 2991239 Advancing Our Understanding of Age-Related Changes in Executive Functions: Insights from Neuroimaging, Genetics and Cognitive Neurosciences
Authors: Yasaman Mohammadi
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Executive functions are a critical component of goal-directed behavior, encompassing a diverse set of cognitive processes such as working memory, cognitive flexibility, and inhibitory control. These functions are known to decline with age, but the precise mechanisms underlying this decline remain unclear. This paper provides an in-depth review of recent research investigating age-related changes in executive functions, drawing on insights from neuroimaging, genetics, and cognitive neuroscience. Through an interdisciplinary approach, this paper offers a nuanced understanding of the complex interplay between neural mechanisms, genetic factors, and cognitive processes that contribute to executive function decline in aging. Here, we investigate how different neuroimaging methods, like functional magnetic resonance imaging (fMRI) and positron emission tomography (PET), have helped scientists better understand the brain bases for age-related declines in executive function. Additionally, we discuss the role of genetic factors in mediating individual differences in executive functions across the lifespan, as well as the potential for cognitive interventions to mitigate age-related decline. Overall, this paper presents a comprehensive and integrative view of the current state of knowledge regarding age-related changes in executive functions. It underscores the need for continued interdisciplinary research to fully understand the complex and dynamic nature of executive function decline in aging, with the ultimate goal of developing effective interventions to promote healthy cognitive aging.Keywords: executive functions, aging, neuroimaging, cognitive neuroscience, working memory, cognitive training
Procedia PDF Downloads 681238 A Kinetic Study of Radical Polymerisation of Acrylic Monomers in the Presence of the Liquid Crystal and the Electro-Optical Properties of These Mixtures
Authors: A. Bouriche, D. Merah, T. Bouchaour, L. Alachaher-Bedjaoui, U. Maschke
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Intensive research continues in the field of liquid crystals (LCs) for their potential use in modern display applications. Nematic LCs has been most commonly used due to the large birefringence and their sensitivity to even weak perturbation forces induced by electric, magnetic and optical fields. Polymer dispersed liquid crystals (PDLCs), composed of micron-sized nematic LC droplets dispersed in a polymer matrix is an important class of materials for applications in different domains of technology involving large area display devices, optical switches, phase modulators, variable attenuators, polarisers, flexible displays and smart windows. In this study the composites are prepared from mixtures of mono functional acrylic monomers, (Butylacrylate (ABu), 2-Ethylhexylacrylate (2-EHA), 2-Hydroxyethyl methacrylate (HEMA) and hydroxybutylmethacrylate (HBMA)) and two liquid crystals: (4-cyano-4'-n-pentyl-biphenyl) (5CB) and E7 which is an eutectic mixtures of four cyanoparaphenylenes. These mixtures are prepared adding the Darocur 1173 as photoinitiator, the 1.6-hexanediol diacrylate (HDDA) as cross-linker agent, and finally they are exposed to UV irradiation. The kinetic polymerization of monomer/LC mixture were investigated with the Fourier Transform Infra Red spectroscopy (FTIR). The electro-optical properties of the PDLC films were determined by measuring the voltage dependence on the transmitted light.Keywords: acrylic monomers, films PDLC, liquid crystal, polymerisation
Procedia PDF Downloads 2931237 Clinical Outcomes and Surgical Complications in Patients with Cervical Disk Degeneration
Authors: Mirzashahi Babak, Mansouri Pejman, Najafi Arvin, Farzan Mahmoud
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Introduction: There are several surgical treatment choices for cervical spondylotic myelopathy (CSM). The aim of this study is to evaluate clinical outcomes and surgical complications in patients with cervical disk degeneration (CDD) undergoing either anterior cervical discectomy with or without fusion or cervical laminectomy and fusion. Methods: This prospective case series study included 45 consecutive patients with cervical spondylotic myelopathy between January 2010 and November 2014. There were 28 males and 17 females, with a mean age of 47 (range 37-68) years. The mean clinical follow-up was 14 months (range 3-24 months). The Neck Disability Index (NDI), visual analog scale (VAS) neck and arm pain, Short Form-36 (SF-36) were used as the functional outcome measurements. All of the complications in our patients were recorded. Results: In our study group, 26 patients underwent only one or two level anterior cervical discectomy. Ten patients underwent anterior cervical discectomy and fusion (ACDF) and nine cases underwent posterior laminectomy and fusion. We have found a statistically significant improvement between mean preoperative (29, range 19-43) and postoperative (7, range 0-12) NDI scores following surgery (P < 0.05). Also, there was a statistically significant difference between pre and post-operative VAS and SF-36 score (p < 0.05). There was a 7% overall complication rate (n = 3). The only complication in our patients was surgical site cellulitis which has been managed with oral antibiotic therapy. Conclusion: Both anterior cervical discectomy with or without fusion or posterior laminectomy and fusion are safe and efficacious treatment options for the management of CSM. The clinical outcomes seem to be fairly reproducible.Keywords: cervical, myelopathy, discectomy, fusion, laminectomy
Procedia PDF Downloads 3501236 Borassus aethiopum Mart Mature Fruits Macro-Composition, Drying Temperature Effect on Its Pulp Protein, Fat, Sugars, Metabolizable Energy, and Fatty Acids Profile
Authors: Tagouelbe Tiho, Amissa Augustin Adima, Yao Casimir Brou, Nabayo Traore, Gouha Firmin Kouassi, Thierry Roland Kouame, Maryline Kouba
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The work aimed to study Borassus aethiopum Mart (B.a) dried pulp nutritional value for its incorporation in human and poultry diets. Firstly, the mature fruit macro-composition was assessed. Secondly, the pulp was dried at 40, 50, 60, 70, and 80ᵒC. Thereafter, the analysis was performed for fat, protein, total sugars, Ca, P, Mg, and fatty acid profile monitoring. As a result, the fruits weighed 1,591.35, delivered 516.73, and 677.82 grams of pulp and seeds, respectively. Mainly, increasing heat adversely affected the outputs. Consequently, the fat results were 14.12, 12.97, 8.93, 8.89ᶜ, and 5.56%; protein contents were 11.64, 10.15, 8.97, 8.84, and 8.42%; total sugar deliveries were 6.28, 6.05, 5.26, 5.02, and 4.76% (P < 0.01). Thereafter, the metabolizable energies were 3,785.22; 3,834.28; 3,616.62; 3,667.03; and 3,608.33 kcal/kg (DM). Additionally, Calcium (Ca) contents were 0.51, 0.55, 0.69, 0.77, and 0.81%, while phosphorus (P) mean was 0.17%, and the differences were not significant (P < 0.01). So, the Ca/P ratios were 2.79, 3.04, 4.10, 4.71, and 4.95. Finally, fatty acids (FA) assessments revealed 22.33 saturated (SFA), 77.67 unsaturated (UFA), within which 67.59% were monounsaturated (MUFA). Interestingly, the rising heat depressed n-6/n-3 ratios that were 1.1, 1.1, 0.45 and 0.38, respectively at 40, 50, 70 and 80ᵒC. In short, drying did not only enhance the product shelf life but it also improved the nutritional value. Thus, B.a mature fruit pulps dried at 70ᵒC are good functional foods, with more than 66% MUFA, and energy source for human and poultry nutrition.Keywords: Borassus aethiopum Mart, fatty acids, metabolizable energy, minerals, protein
Procedia PDF Downloads 1721235 Combining the Noble Values of Traditional Architecture on Modern Architecture
Authors: Dwi Retno Sri Ambarwati
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Recently, the traditional architecture were getting lost, replaced by modern architecture. The existence of many traditional houses often changing the function and change the values in an effort to adjust to the modern lifestyle, whereas the spiritual background of traditional architectural design is very specific and be the basis for consideration in the construction of the building, both in terms of determining the location of the building, the direction toward building, the spatial pattern and organization of space, zoning, hierarchical space, building form, ornamentation, the selection of building materials, and so on. The changes in function and form will transformed the spiritual values contained in it, because the architecture affects human behavior and reflects the culture. The traditional architecture views the architecture as a concept that has different tendencies in terms of orientation, shape, and attitude toward nature that tends to harmony with the social environment and local culture. The concept of the spirit of place made the architecture looks familiar, not arrogant and give a positive value to the surrounding environment. Every culture has a traditional architecture that full of spiritual values, although in the simplest form. Humans can learn about human values and local wisdom through the positive values that contained in traditional architecture, the desire to balance themselves with nature and the environment, not overbearing, strict adherence to the prevailing norms, openness in public life and intimacy family life that form a harmonious in life. The great and the wise value of traditional architecture should be revived in modern architecture that tends to ignore the spiritual values and more concerned with the functional and aesthetic pleasure, by combining the noble values of traditional architecture into modern architecture.Keywords: architecture, combining noble values, local wisdom, traditional architecture
Procedia PDF Downloads 4621234 Enzymatic Determination of Limonene in Red Clover Genotypes
Authors: Andrés Quiroz, Emilio Hormazabal, Ana Mutis, Fernando Ortega, Manuel Chacón-Fuentes, Leonardo Parra
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Red clover (Trifolium pratense L.) is an important forage species in temperate regions of the world. The main limitation of this species worldwide is a lack of persistence related to the high mortality of plants due to a complex of biotic and abiotic factors, determining a life span of two or three seasons. Because of the importance of red clover in Chile, a red clover breeding program was started at INIA Carillanca Research Center in 1989, with the main objective of improving the survival of plants, forage yield, and persistence. The main selection criteria for selecting new varieties have been based on agronomical parameters and biotic factors. The main biotic factor associated with red clover mortality in Chile is Hylastinus obscurus (Coleoptera: Curculionidae). Both larval and adults feed on the roots, causing weakening and subsequent death of clover plants. Pesticides have not been successful for controlling infestations of this root borer. Therefore, alternative strategies for controlling this pest are a high priority for red clover producers. Currently, the role of semiochemical in the interaction between H. obscurus and red clover plants has been widely studied for our group. Specifically, from the red clover foliage has been identified limonene is eliciting repellency from the root borer. Limonene is generated in the plant from two independent biosynthetic pathways, the mevalonic acid, and deoxyxylulose pathway. Mevalonate pathway enzymes are localized in the cytosol, whereas the deoxyxylulose phosphate pathway enzymes are found in plastids. In summary, limonene can be determinated by enzymatic bioassay using GPP as substrate and by limonene synthase expression. Therefore, the main objective of this work was to study genetic variation of limonene in material provided by INIA´s Red Clover breeding program. Protein extraction was carried out homogenizing 250 mg of leave tissue and suspended in 6 mL of extraction buffer (PEG 1500, PVP-30, 20 mM MgCl2 and antioxidants) and stirred on ice for 20 min. After centrifugation, aliquots of 2.5 mL were desalted on PD-10 columns, resulting in a final volume of 3.5 mL. Protein determination was performed according to Bradford with BSA as a standard. Monoterpene synthase assays were performed with 50 µL of protein extracts transferred into gas-tight 2 mL crimp seal vials after addition of 4 µL MgCl₂ and 41 µL assay buffer. The assay was started by adding 5 µL of a GPP solution. The mixture was incubated for 30 min at 40 °C. Biosynthesized limonene was quantified in a GC equipped with a chiral column and using synthetic R and S-limonene standards. The enzymatic the production of R and S-limonene from different Superqueli-Carillanca genotypes is shown in this work. Preliminary results showed significant differences in limonene content among the genotypes analyzed. These results constitute an important base for selecting genotypes with a high content of this repellent monoterpene towards H. obscurus.Keywords: head space, limonene enzymatic determination, red clover, Hylastinus obscurus
Procedia PDF Downloads 2671233 Effects of New Anthraquinone Derivatives on Resistance Ovarian Cancer Cells and The Mechanism Investigation
Authors: Hui-Hsin Huang, Sheng-Tung Huang, Chi-Ming Lee, Chiao-Han Yen, Chun-Mao Lin
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At initiation stage, there are no symptoms at initiation stage; however, at late stage, patients suffer symptoms as soon as ovarian cancer metastasis. Moreover, ovarian cancer cells are resistant to some anti-ovarian cancer drugs in clinical. Thus, it is very important to find an effective treatment for resistant ovarian cancer. Anthraquinone derivatives are able to induce DNA damage and lead to cell apoptosis, so several derivatives have been used for clinical application. Therefore, to explore more effective anti-ovarian cancer drugs, this study investigates the mechanism of three new anthraquinone compounds bearing different functional groups to camptothecin-resistance ovarian cell line A2780R2000. Cell viability was determined by MTT assay after treating A2780R2000 with the three new anthraquinone compounds. The results indicated that IC50 values are 33.44μM (Compound I), 25.77μM (Compound II) and 24.59μM (Compound III). Next, through cell cycle analysis, the results demonstrated that three new anthraquinone compounds not only induced A2780R2000 cell cycle arrest at early stage but also apoptosis at late stage. Besides, through apoptosis assay, the results indicated new anthraquinone compound induced apoptosis at late stage. Furthermore, the results of western blot show that the three new anthraquinone compounds lead to A2780R2000 apoptosis through intrinsic pathway. Theses results suggested that three new anthraquinone compounds may be potential new drugs for clinical cancer treatment in the future.Keywords: anthraquinone, camptothecin, resistance, ovarian cancer
Procedia PDF Downloads 3961232 Measurement of Echocardiographic Ejection Fraction Reference Values and Evaluation between Body Weight and Ejection Fraction in Domestic Rabbits (Oryctolagus cuniculus)
Authors: Reza Behmanesh, Mohammad Nasrolahzadeh-Masouleh, Ehsan Khaksar, Saeed Bokaie
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Domestic rabbits (Oryctolagus cuniculus) are an excellent model for cardiovascular research because the size of these animals is more suitable for study and experimentation than smaller animals. One of the most important diagnostic imaging methods is echocardiography, which is used today to evaluate the anatomical and functional cardiovascular system and is one of the most accurate and sensitive non-invasive methods for examining heart disease. Ventricular function indices can be assessed with cardiac imaging techniques. One of these important cardiac parameters is the ejection fraction (EF), which has a valuable place along with other involved parameters. EF is a measure of the percentage of blood that comes out of the heart with each contraction. For this study, 100 adult and young standard domestic rabbits, six months to one year old and of both sexes (50 female and 50 male rabbits) without anesthesia and sedation were used. In this study, the mean EF in domestic rabbits studied in males was 58.753 ± 6.889 and in females, 61.397 ± 6.530, which are comparable to the items mentioned in the valid books and the average size of EF measured in this study; there is no significant difference between this research and other research. There was no significant difference in the percentage of EF between most weight groups, but there was a significant difference (p < 0.05) in weight groups (2161–2320 g and 2481–2640 g). Echocardiographic EF reference values for domestic rabbits (Oryctolagus cuniculus) non-anesthetized are presented, providing reference values for future studies.Keywords: echocardiography, ejection fraction, rabbit, heart
Procedia PDF Downloads 931231 ALDH1A1 as a Cancer Stem Cell Marker: Value of Immunohistochemical Expression in Benign Prostatic Hyperplasia, Prostatic Intraepithelial Neoplasia, and Prostatic Adenocarcinoma
Authors: H. M. Abdelmoneim, N. A. Babtain, A. S. Barhamain, A. Z. Kufiah, A. S. Malibari, S. F. Munassar, R. S. Rawa
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Introduction: Prostate cancer is one of the most common causes of morbidity and mortality in men in developed countries. Cancer Stem Cells (CSCs) could be responsible for the progression and relapse of cancer. Therefore, CSCs markers could provide a prognostic strategy for human malignancies. Aldehyde dehydrogenase 1A1 (ALDH1A1) activity has been shown to be associated with tumorigenesis and proposed to represent a functional marker for tumor initiating cells in various tumor types including prostate cancer. Material & Methods: We analyzed the immunohistochemical expression of ALDH1A1 in benign prostatic hyperplasia (BPH), prostatic intraepithelial neoplasia (PIN) and prostatic adenocarcinoma and assessed their significant correlations in 50 TURP sections. They were microscopically interpreted and the results were correlated with histopathological types and tumor grade. Results: In different prostatic histopathological lesions we found that ALDH1A1 expression was low in BPH (13.3%) and PIN (6.7%) and then its expression increased with prostatic adenocarcinoma (40%), and this was statistically highly significant (P value = 0.02). However, in different grades of prostatic adenocarcinoma we found that the higher the Gleason grade the higher the expression for ALDH1A1 and this was statistically significant (P value = 0.02). We compared the expression of ALDH1A1 in PIN and prostatic adenocarcinoma. ALDH1A1 expression was decreased in PIN and highly expressed in prostatic adenocarcinoma and this was statistically significant (P value = 0.04). Conclusion: Increasing ALDH1A1 expression is correlated with aggressive behavior of the tumor. Immunohistochemical expression of ALDH1A1 might provide a potential approach to study tumorigenesis and progression of primary prostate carcinoma.Keywords: ALDH1A1, BPH, PIN, prostatic adenocarcinoma
Procedia PDF Downloads 2621230 Efficacy of Heart Failure Reversal Treatment Followed by 90 Days Follow up in Chronic Heart Failure Patients with Low Ejection Fraction
Authors: Rohit Sane, Snehal Dongre, Pravin Ghadigaonkar, Rahul Mandole
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The present study was designed to evaluate efficacy of heart failure reversal therapy (HFRT) that uses herbal procedure (panchakarma) and allied therapies, in chronic heart failure (CHF) patients with low ejection fraction. Methods: This efficacy study was conducted in CHF patients (aged: 25-65 years, ejection fraction (EF) < 30%) wherein HFRT (60-75 minutes) consisting of snehana (external oleation), swedana (passive heat therapy), hrudaydhara(concoction dripping treatment) and basti(enema) was administered twice daily for 7 days. During this therapy and next 30 days, patients followed the study dinarcharya and were prescribed ARJ kadha in addition to their conventional treatment. The primary endpoint of this study was evaluation of maximum aerobic capacity uptake (MAC) as assessed by 6-minute walk distance (6MWD) using Cahalins equation from baseline, at end of 7 day treatment, follow-up after 30 days and 90 days. EF was assessed by 2D Echo at baseline and after 30 days of follow-up. Results: CHF patients with < 30% EF (N=52, mean [SD] age: 58.8 [10.8], 85% men) were enrolled in the study. There was a 100% compliance to study therapy. A significant improvement was observed in MAC levels (7.11%, p =0.029), at end of 7 day therapy as compared to baseline. This improvement was maintained at two follow-up visits. Moreover, ejection fraction was observed to be increased by 6.38%, p=0,012 as compared to baseline at day 7 of the therapy. Conclusions: This 90 day follow up study highlights benefit of HFRT, as a part of maintenance treatment for CHF patients with reduced ejection fraction.Keywords: chronic heart failure, functional capacity, heart failure reversal therapy, oxygen uptake, panchakarma
Procedia PDF Downloads 2341229 An Investigation of Surface Texturing by Ultrasonic Impingement of Micro-Particles
Authors: Nagalingam Arun Prasanth, Ahmed Syed Adnan, S. H. Yeo
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Surface topography plays a significant role in the functional performance of engineered parts. It is important to have a control on the surface geometry and understanding on the surface details to get the desired performance. Hence, in the current research contribution, a non-contact micro-texturing technique has been explored and developed. The technique involves ultrasonic excitation of a tool as a prime source of surface texturing for aluminum alloy workpieces. The specimen surface is polished first and is then immersed in a liquid bath containing 10% weight concentration of Ti6Al4V grade 5 spherical powders. A submerged slurry jet is used to recirculate the spherical powders under the ultrasonic horn which is excited at an ultrasonic frequency and amplitude of 40 kHz and 70 µm respectively. The distance between the horn and workpiece surface was remained fixed at 200 µm using a precision control stage. Texturing effects were investigated for different process timings of 1, 3 and 5 s. Thereafter, the specimens were cleaned in an ultrasonic bath for 5 mins to remove loose debris on the surface. The developed surfaces are characterized by optical and contact surface profiler. The optical microscopic images show a texture of circular spots on the workpiece surface indented by titanium spherical balls. Waviness patterns obtained from contact surface profiler supports the texturing effect produced from the proposed technique. Furthermore, water droplet tests were performed to show the efficacy of the proposed technique to develop hydrophilic surfaces and to quantify the texturing effect produced.Keywords: surface texturing, surface modification, topography, ultrasonic
Procedia PDF Downloads 2231228 Development of a Biomaterial from Naturally Occurring Chloroapatite Mineral for Biomedical Applications
Authors: H. K. G. K. D. K. Hapuhinna, R. D. Gunaratne, H. M. J. C. Pitawala
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Hydroxyapatite is a bioceramic which can be used for applications in orthopedics and dentistry due to its structural similarity with the mineral phase of mammalian bones and teeth. In this study, it was synthesized, chemically changing natural Eppawala chloroapatite mineral as a value-added product. Sol-gel approach and solid state sintering were used to synthesize products using diluted nitric acid, ethanol and calcium hydroxide under different conditions. Synthesized Eppawala hydroxyapatite powder was characterized using X-ray Fluorescence (XRF), X-ray Powder Diffraction (XRD), Fourier-transform Infrared Spectroscopy (FTIR), Scanning Electron Microscopy (SEM), Thermogravimetric Analysis (TGA) and Differential Scanning Calorimetry (DSC) in order to find out its composition, crystallinity, presence of functional groups, bonding type, surface morphology, microstructural features, and thermal dependence and stability, respectively. The XRD results reflected the formation of a hexagonal crystal structure of hydroxyapatite. Elementary composition and microstructural features of products were discussed based on the XRF and SEM results of the synthesized hydroxyapatite powder. TGA and DSC results of synthesized products showed high thermal stability and good material stability in nature. Also, FTIR spectroscopy results confirmed the formation of hydroxyapatite from apatite via the presence of hydroxyl groups. Those results coincided with the FTIR results of mammalian bones including human bones. The study concludes that there is a possibility of producing hydroxyapatite using commercially available Eppawala chloroapatite in Sri Lanka.Keywords: dentistry, Eppawala chlorapatite, hydroxyapatite, orthopedics
Procedia PDF Downloads 2351227 Ultrasound Guided Treatment of Carpal Tunnel Syndrome
Authors: Kazem Shakouri, Alireza Pishgahi, Homayoun Sadeghi-bBazargani, Shahla Dareshiri
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Introduction: Carpal Tunnel Syndrome has numerous nonsurgical treatments including splint, physical therapy and corticosteroid injections. Aim: The purpose of this study was to evaluate the effectiveness of an ultrasound guided treatment procedure, for individuals with severe carpal tunnel syndrome. Materials and Method: 20 patients with an electrodiagnostic evidence of severe carpal tunnel syndrome were treated by an office-based ultrasound guided procedure (combination of percutaneous needle release of carpal tunnel and corticosteroid injection). Electrodiagnostic (nerve conduction study), clinical (Boston Carpal Tunnel Questionnaire, grip strength) and ultrasonic (median nerve and carpal tunnel cross-sectional area) measurements were recorded at baseline and one month after intervention. Results: Our preliminary data analysis showed that in one month follow up, patients had a significantly smaller cross-sectional area of the median nerve compared to pretreatment values (mean difference 0.06; 95%CI: 0.02-0.1; p < 0.001). In addition, patients had significantly less functional impairment (mean difference 35; 95% CI:28.7-43.4 ; p < 0.001), and an improved hand grip strength in one month follow up (mean difference 5.4; 95%CI: 3.1-7.8; p < 0.001;). There were no significant complications. Conclusion: Patients with severe carpal tunnel syndrome, who are candidates for surgical intervention, can consider office-based ultrasound guided needle release of carpal tunnel as an alternative safe treatment.Keywords: Carpal Tunnel Syndrome, needle release, pain, ultrasound
Procedia PDF Downloads 2471226 Mass Media and Electoral Conflict Management in Kogi State, Nigeria
Authors: Okpanachi Linus Odiji, Chris Ogwu Attah
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Election is no doubt widely assumed as one of the most suitable means of resolving political quagmires even though it has never been bereft of conflict which can manifest before, during, or after polls. What, however, advances democracy and promotes electoral integrity is the existence and effectiveness of institutional frameworks for electoral conflict management. Electoral conflicts are no doubt unique in the sense that they represent the struggles of people over the control of public resources. In most cases, the stakes involved are high and emotional that they do not only undermine inter-group relationship but also threaten national security. The need, therefore, for an effectively functional conflict management apparatus becomes imperative. While at the State level, there exist numerous governmental initiatives at various electoral stages aimed at managing conflicts, this paper examines the activities of the mass media, which is another prominent stakeholder in the electoral process. Even though media influence has increased tremendously in the last decade, researchers are yet to agree on its utility in the management of conflicts. Guided by the social responsibility theory of media reporting and drawing data from observed trends in Kogi state, the paper, which context analyses the 2019 gubernatorial election coverage in the state, observes both conflict escalation and de-escalation roles in the media. To mitigate conflict reporting misrepresentation, therefore, a common approach to conflict reporting should be designed and ordered by the National Broadcasting Commission as well as the Nigerian Press Council. This should be garnished with the training of journalists on conflict reporting and development of a standard conflict reporting procedure.Keywords: conflict management, electoral conflict, mass media, media reporting
Procedia PDF Downloads 1541225 Spinach Lipid Extract as an Alternative Flow Aid for Fat Suspensions
Authors: Nizaha Juhaida Mohamad, David Gray, Bettina Wolf
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Chocolate is a material composite with a high fraction of solid particles dispersed in a fat phase largely composed of cocoa butter. Viscosity properties of chocolate can be manipulated by the amount of fat - increased levels of fat lead to lower viscosity. However, a high content of cocoa butter can increase the cost of the chocolate and instead surfactants are used to manipulate viscosity behaviour. Most commonly, lecithin and polyglycerol polyricinoleate (PGPR) are used. Lecithin is a natural lipid emulsifier which is based on phospholipids while PGPR is a chemically produced emulsifier which based on the long continuous chain of ricinoleic acid. Lecithin and PGPR act to lower the viscosity and yield stress, respectively. Recently, natural lipid emulsifiers based on galactolipid as the functional ingredient have become of interest. Spinach lipid is found to have a high amount of galactolipid, specifically MGDG and DGDG. The aim of this research is to explore the influence of spinach lipid in comparison with PGPR and lecithin on the rheological properties of sugar/oil suspensions which serve as chocolate model system. For that purpose, icing sugar was dispersed from 40%, 45% and 50% (w/w) in oil which has spinach lipid at concentrations from 0.1 – 0.7% (w/w). Based on viscosity at 40 s-1 and yield value reported as shear stress measured at 5 s-1, it was found that spinach lipid shows viscosity reducing and yield stress lowering effects comparable to lecithin and PGPR, respectively. This characteristic of spinach lipid demonstrates great potential for it to act as single natural lipid emulsifier in chocolate.Keywords: chocolate viscosity, lecithin, polyglycerol polyricinoleate (PGPR), spinach lipid
Procedia PDF Downloads 2491224 Social Media Marketing in Indonesian Social Enterprise: The Effect of Members' Level of Participation on Brand Trust and Brand Commitment
Authors: Irsanti Hasyim, Christian Wibisono, Angela Teressia
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Social enterprises, as one of the way of doing business are on the rise and emerging from the innovations of decades of social initiatives. In simple way, social enterprises use the business platform to achieve social and/or environmental objectives whilst simultaneously seeking a financial return. In Indonesia, the number of social enterprises rapidly grows and most of them were using social media as their business platform. Social Media are perceived as tools for creating online communities of users who share interests, activities, and objectives. Many companies view the use of online communities in social media as a profitable marketing tool from which they can derive several benefits. Through social media, consumers share experiences with and suggest ideas to others while developing new relationships within their communities. Therefore, this study intends to identify the benefits that participants in online communities seek and examine the relationships between members’ levels of participation, brand trust, and brand commitment. Using convenience sampling method, 236 fully answered questioner was collected and used as a sample of this research. The sample of this research consisted of member or follower in several social media from selected social enterprise in Indonesia. Data collected in this research were process by using Partial Least Square and came up with the result that functional benefit and monetary benefit, are only two from five benefits that proposed were the only variable that has significant result even though from APC, ARS and AARS outcomes show that the model can be claimed to be significant.Keywords: brand trust, brand commitment, social enterprise, social media
Procedia PDF Downloads 2371223 Family of Density Curves of Queensland Soils from Compaction Tests, on a 3D Z-Plane Function of Moisture Content, Saturation, and Air-Void Ratio
Authors: Habib Alehossein, M. S. K. Fernando
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Soil density depends on the volume of the voids and the proportion of the water and air in the voids. However, there is a limit to the contraction of the voids at any given compaction energy, whereby additional water is used to reduce the void volume further by lubricating the particles' frictional contacts. Hence, at an optimum moisture content and specific compaction energy, the density of unsaturated soil can be maximized where the void volume is minimum. However, when considering a full compaction curve and permutations and variations of all these components (soil, air, water, and energy), laboratory soil compaction tests can become expensive, time-consuming, and exhausting. Therefore, analytical methods constructed on a few test data can be developed and used to reduce such unnecessary efforts significantly. Concentrating on the compaction testing results, this study discusses the analytical modelling method developed for some fine-grained and coarse-grained soils of Queensland. Soil properties and characteristics, such as full functional compaction curves under various compaction energy conditions, were studied and developed for a few soil types. Using MATLAB, several generic analytical codes were created for this study, covering all possible compaction parameters and results as they occur in a soil mechanics lab. These MATLAB codes produce a family of curves to determine the relationships between the density, moisture content, void ratio, saturation, and compaction energy.Keywords: analytical, MATLAB, modelling, compaction curve, void ratio, saturation, moisture content
Procedia PDF Downloads 941222 Pushover Analysis of a Typical Bridge Built in Central Zone of Mexico
Authors: Arturo Galvan, Jatziri Y. Moreno-Martinez, Daniel Arroyo-Montoya, Jose M. Gutierrez-Villalobos
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Bridges are one of the most seismically vulnerable structures on highway transportation systems. The general process for assessing the seismic vulnerability of a bridge involves the evaluation of its overall capacity and demand. One of the most common procedures to obtain this capacity is by means of pushover analysis of the structure. Typically, the bridge capacity is assessed using non-linear static methods or non-linear dynamic analyses. The non-linear dynamic approaches use step by step numerical solutions for assessing the capacity with the consuming computer time inconvenience. In this study, a nonlinear static analysis (‘pushover analysis’) was performed to predict the collapse mechanism of a typical bridge built in the central zone of Mexico (Celaya, Guanajuato). The bridge superstructure consists of three simple supported spans with a total length of 76 m: 22 m of the length of extreme spans and 32 m of length of the central span. The deck width is of 14 m and the concrete slab depth is of 18 cm. The bridge is built by means of frames of five piers with hollow box-shaped sections. The dimensions of these piers are 7.05 m height and 1.20 m diameter. The numerical model was created using a commercial software considering linear and non-linear elements. In all cases, the piers were represented by frame type elements with geometrical properties obtained from the structural project and construction drawings of the bridge. The deck was modeled with a mesh of rectangular thin shell (plate bending and stretching) finite elements. The moment-curvature analysis was performed for the sections of the piers of the bridge considering in each pier the effect of confined concrete and its reinforcing steel. In this way, plastic hinges were defined on the base of the piers to carry out the pushover analysis. In addition, time history analyses were performed using 19 accelerograms of real earthquakes that have been registered in Guanajuato. In this way, the displacements produced by the bridge were determined. Finally, pushover analysis was applied through the control of displacements in the piers to obtain the overall capacity of the bridge before the failure occurs. It was concluded that the lateral deformation of the piers due to a critical earthquake occurred in this zone is almost imperceptible due to the geometry and reinforcement demanded by the current design standards and compared to its displacement capacity, they were excessive. According to the analysis, it was found that the frames built with five piers increase the rigidity in the transverse direction of the bridge. Hence it is proposed to reduce these frames of five piers to three piers, maintaining the same geometrical characteristics and the same reinforcement in each pier. Also, the mechanical properties of materials (concrete and reinforcing steel) were maintained. Once a pushover analysis was performed considering this configuration, it was concluded that the bridge would continue having a “correct” seismic behavior, at least for the 19 accelerograms considered in this study. In this way, costs in material, construction, time and labor would be reduced in this study case.Keywords: collapse mechanism, moment-curvature analysis, overall capacity, push-over analysis
Procedia PDF Downloads 1531221 Comparative Analysis of Hybrid Dynamic Stabilization and Fusion for Degenerative Disease of the Lumbosacral Spine: Finite Element Analysis
Authors: Mohamed Bendoukha, Mustapha Mosbah
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The Radiographic apparent assumed that the asymptomatic adjacent segment disease ASD is common after lumbar fusion, but this does not correlate with the functional outcomes while compensatory increased motion and stresses at the adjacent level of fusion is well-known to be associated to ASD. Newly developed, the hybrid stabilization are allocated to substituted for mostly the superior level of the fusion in an attempt to reduce the number of fusion levels and likelihood of degeneration process at the adjacent levels during the fusion with pedicle screws. Nevertheless, its biomechanical efficiencies still remain unknown and complications associated with failure of constructs such screw loosening and toggling should be elucidated In the current study, a finite element (FE) study was performed using a validated L2/S1 model subjected to a moment of 7.5 Nm and follower load of 400 N to assess the biomedical behavior of hybrid constructs based on dynamic topping off, semi rigid fusion. The residual range of motion (ROM), stress distribution at the fused and adjacent levels, stress distribution at the disc and the cage-endplate interface with respect to changes of bone quality were investigated. The hybrid instrumentation was associated with a reduction in compressive stresses compared to the fusion construct in the adjacent-level disc and showed high substantial axial force in the implant while fusion instrumentation increased the motion for both flexion and extension.Keywords: intervertebral disc, lumbar spine, degenerative nuclesion, L4-L5, range of motion finite element model, hyperelasticy
Procedia PDF Downloads 1851220 Phyto-Assisted Synthesis of Magnesium Oxide Nanoparticles: Characterization and Applications
Authors: Surendra Kumar Gautam, Mahesh Dhungana
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Magnesium oxide nanoparticles (MgO NPs) are less toxic to humans and the environment as compared to other metal oxide nanoparticles. Various conventional chemical and physical methods are used for synthesis whose toxicity level is high and highly expensive. As the best alternative, phyto-assisted synthesis has emerged, which uses extracts from plant parts for the synthesis of nanoparticles. Here, we report the synthesis of MgO nanoparticles with the assistance of beetroot extract and leaf extract of P. guajava and A. adenophora. The synthesized MgO NPs were characterized by X-ray diffraction (XRD), Fourier transforms infrared spectroscopy (FTIR), and UV-visible spectroscopy. X-ray analysis for the broadening of peaks was used to evaluate the crystallite size and lattice strain using Debye-Scherer and Williamson–Hall method. The results of crystallite size obtained by both methods are in close proximity. The crystallite size obtained by the Williamson-Hall method seems more accurate, with values being 8.1 nm and 13.2 nm for beetroot MgO NPs and P. guajava MgO NPs, respectively. The FT-IR spectroscopy revealed the dominance of chemical bonds as well as functional groups on MgO NPs surfaces. The UV-visible absorption spectra of MgO NPs were found to be 310 nm, 315 nm, and 315 nm for beetroot, P. guajava, and A. adenophora leaf extract, respectively. Among the three samples, beetroot-mediated MgO NPs were effective antibacterial against both gram-positive and Gram-negative bacteria. In addition, synthesized MgO NPs also show significant antioxidant efficacy against 1,1-diphenyl-2-picrylhydrazyl radical. Further, beetroot MgO NPs showed the highest photocatalytic activity of about 91% in comparison with other samples.Keywords: MgO NPs, XRD, FTIR, antibacterial, antioxidant and photocatalytic activity
Procedia PDF Downloads 851219 Seismic Considerations in Case Study of Kindergartens Building Design: Ensuring Safety and Structural Integrity
Authors: Al-Naqdi Ibtehal Abdulmonem
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Kindergarten buildings are essential for early childhood education, providing a secure environment for children's development. However, they are susceptible to seismic forces, which can endanger occupants during earthquakes. This article emphasizes the importance of conducting thorough seismic analysis and implementing proper structural design to protect the well-being of children, staff, and visitors. By prioritizing structural integrity and considering functional requirements, engineers can mitigate risks associated with seismic events. The use of specialized software like ETABS is crucial for designing earthquake-resistant kindergartens. An analysis using ETABS software compared the structural performance of two single-story kindergartens in Iraq's Ministry of Education, designed with and without seismic considerations. The analysis aimed to assess the impact of seismic design on structural integrity and safety. The kindergarten was designed with seismic considerations, including moment frames. In contrast, the same kindergarten was analyzed without seismic effects, revealing a lack of structural elements to resist lateral forces, rendering it vulnerable to structural failure during an earthquake. Maximum major shear increased over 4 times and over 5 times for bending moment in both kindergartens designed with seismic considerations induced by lateral loads and seismic forces. This component of shear force is vital for designing elements to resist lateral loads and ensure structural stability.Keywords: seismic analysis, structural design, lateral loads, earthquake resistance, major shear, ETABS
Procedia PDF Downloads 721218 Honey Bee (Apis Mellifera) Drone Flight Behavior Revealed by Radio Frequency Identification: Short Trips That May Help Drones Survey Weather Conditions
Authors: Vivian Wu
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During the mating season, honeybee drones make mating fights to congregation areas where they face fierce competition to mate with a queen. Drones have developed distinct anatomical and functional features in order to optimize their chances of success. Flight activities of western honeybee (Apis mellifera) drones and foragers were monitored using radio frequency identification (RFID) to test if drones have also developed distinct flight behaviors. Drone flight durations showed a bimodal distribution dividing the flights into short flights and long flights while forager flight durations showed a left-skewed unimodal distribution. Interestingly, the short trips occurred prior to the long trips on a daily basis. The first trips of the day the drones made were primarily short trips, and the distribution significantly shifted to long trips as the drones made more trips. In contrast, forager trips showed no such shift of distribution. In addition, drones made short trips but no long mating trips on days associated with a significant drop in temperature and increase of clouds compared to the previous day. These findings suggest that drones may have developed a unique flight behavior making short trips first to survey the weather conditions before flying out to the congregation area to pursue a successful mating.Keywords: apis mellifera, drone, flight behavior, weather, RFID
Procedia PDF Downloads 811217 Deterioration Prediction of Pavement Load Bearing Capacity from FWD Data
Authors: Kotaro Sasai, Daijiro Mizutani, Kiyoyuki Kaito
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Expressways in Japan have been built in an accelerating manner since the 1960s with the aid of rapid economic growth. About 40 percent in length of expressways in Japan is now 30 years and older and has become superannuated. Time-related deterioration has therefore reached to a degree that administrators, from a standpoint of operation and maintenance, are forced to take prompt measures on a large scale aiming at repairing inner damage deep in pavements. These measures have already been performed for bridge management in Japan and are also expected to be embodied for pavement management. Thus, planning methods for the measures are increasingly demanded. Deterioration of layers around road surface such as surface course and binder course is brought about at the early stages of whole pavement deterioration process, around 10 to 30 years after construction. These layers have been repaired primarily because inner damage usually becomes significant after outer damage, and because surveys for measuring inner damage such as Falling Weight Deflectometer (FWD) survey and open-cut survey are costly and time-consuming process, which has made it difficult for administrators to focus on inner damage as much as they have been supposed to. As expressways today have serious time-related deterioration within them deriving from the long time span since they started to be used, it is obvious the idea of repairing layers deep in pavements such as base course and subgrade must be taken into consideration when planning maintenance on a large scale. This sort of maintenance requires precisely predicting degrees of deterioration as well as grasping the present situations of pavements. Methods for predicting deterioration are determined to be either mechanical or statistical. While few mechanical models have been presented, as far as the authors know of, previous studies have presented statistical methods for predicting deterioration in pavements. One describes deterioration process by estimating Markov deterioration hazard model, while another study illustrates it by estimating Proportional deterioration hazard model. Both of the studies analyze deflection data obtained from FWD surveys and present statistical methods for predicting deterioration process of layers around road surface. However, layers of base course and subgrade remain unanalyzed. In this study, data collected from FWD surveys are analyzed to predict deterioration process of layers deep in pavements in addition to surface layers by a means of estimating a deterioration hazard model using continuous indexes. This model can prevent the loss of information of data when setting rating categories in Markov deterioration hazard model when evaluating degrees of deterioration in roadbeds and subgrades. As a result of portraying continuous indexes, the model can predict deterioration in each layer of pavements and evaluate it quantitatively. Additionally, as the model can also depict probability distribution of the indexes at an arbitrary point and establish a risk control level arbitrarily, it is expected that this study will provide knowledge like life cycle cost and informative content during decision making process referring to where to do maintenance on as well as when.Keywords: deterioration hazard model, falling weight deflectometer, inner damage, load bearing capacity, pavement
Procedia PDF Downloads 3901216 Internal Displacement in Iraq due to ISIS Occupation and Its Effects on Human Security and Coexistence
Authors: Feisal Khudher Mahmood, Abdul Samad Rahman Sultan
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Iraq had been a diverse society with races, cultures and religions that peacefully coexistence. The phenomenon of internal displacement occurred after April 2003, because of political instability as will as the deterioration of the political and security situation as a result of United States of America occupation. Biggest internal displacement have occurred (and keep happening) since 10th of June 2014 due to rise of Islamic State of Iraq and Syria (ISIS) and it’s occupation of one third of country territories. This crisis effected directly 3,275,000 people and reflected negatively on the social fabric of Iraq community and led to waves of sectorial violence that swept the country. Internal displaced communities are vulnerable, especially under non functional and weak government, that led to lose of essential human rights and dignity. Using Geographic Information System (GIS) and Geospatial Techniques, two types of internal displacement have been found; voluntary and forced. Both types of displacement are highly influenced by location, race and religion. The main challenge for Iraqi government and NGOs will be after defeating ISIS. Helping the displaced to resettle within their community and to re-establish the coexistence. By spatial-statical analysis hot spots of future conflicts among displaced community have been highlighted. This will help the government to tackle future conflicts before they occur. Also, it will be the base for social conflict early warning system.Keywords: internal displacement, Iraq, ISIS, human security, human rights, GIS, spatial-statical analysis
Procedia PDF Downloads 5261215 The Impact of School Environment and Peer Relation on Anti-Social Behaviour of Students in Science Secondary Schools in Katsina State
Authors: Umar Mamman
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The study investigated the impact of school environment and peer relations on antisocial behaviour of the students of science secondary schools in Katsina State. The study sought to achieve the following objectives: to determine whether school influences antisocial behaviour among science secondary school students, and to determine whether peer relation influences anti-social behaviour among science secondary school students. The study population composed of all the students in science secondary schools in Katsina State. The study used a sample of 378 students and 18 teachers randomly selected from eleven science secondary schools in Katsina state. Three instruments were used to collect data for the study, thus: socio-economic status background questionnaire, antisocial process screening device (APSD), and inventory of parent and peer relationship questionnaire. The study findings revealed that school environment has significant effect on antisocial behaviour of the students in science secondary school (F (7, 372) = 52.08, p ≤ .01), and there is a significant effect of peer relation on antisocial behaviour of the students in science secondary school (F (7, 372) = 14.229, p ≤ .01). Based on these findings the following major recommendations were made: School environment should be made attractive and conducive for learning and character development. Teachers, as role model, should desist from indecent acts. School environment should be made learner-centered and friendly. Functional guidance and counselling outfits need to be provided in all secondary schools in Katsina state.Keywords: school environment, peer relation, anti-social behaviour, psychology
Procedia PDF Downloads 3571214 Internal Audit and the Effectiveness and Efficiency of Operations in Hospitals
Authors: Naziru Suleiman
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The ever increasing cases of financial frauds and corporate accounting scandals in recent years have raised more concern on the operation of internal control mechanisms and performance of the internal audit departments in organizations. In most cases the seeming presence of both the internal control system and internal audit in organizations do not prove useful as frauds errors and irregularities are being perpetuated. The aim of this study, therefore, is to assess the role of internal audit in achieving the objectives of internal control system of federal hospitals in Kano State from the perception of the respondents. The study used survey research design and generated data from primary source by means of questionnaire. A total number of 100 copies of questionnaire were administered out of which 68 were duly completed and returned. Cronbach’s alpha was used to test the internal validity of the various items in the constructs. Descriptive statistics, chi-square test, Mann Whitney U test and Kruskal Wallis ANOVA were employed for the analysis of data. The study finds that from the perception of the respondents, internal audit departments in Federal Hospitals in Kano State are effective and that they contribute positively to the overall attainment of the objectives of internal control system of these hospitals. There is no significant difference found on the views of the respondents from the three hospitals. Hence, the study concludes that strong and functional internal audit department is a basic requirement for effectiveness of operations of the internal control system. In the light of the findings, it is recommended that internal audit should continue to ensure that the objectives of internal control system of these hospitals are achieved through proper and adequate evaluation and review of the system.Keywords: internal audit, internal control, federal hospitals, financial frauds
Procedia PDF Downloads 3541213 Synthesis, Structural, Spectroscopic and Nonlinear Optical Properties of New Picolinate Complex of Manganese (II) Ion
Authors: Ömer Tamer, Davut Avcı, Yusuf Atalay
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Novel picolinate complex of manganese(II) ion, [Mn(pic)2] [pic: picolinate or 2-pyridinecarboxylate], was prepared and fully characterized by single crystal X-ray structure determination. The manganese(II) complex was characterized by FT-IR, FT-Raman and UV–Vis spectroscopic techniques. The C=O, C=N and C=C stretching vibrations were found to be strong and simultaneously active in IR and spectra. In order to support these experimental techniques, density functional theory (DFT) calculations were performed at Gaussian 09W. Although the supramolecular interactions have some influences on the molecular geometry in solid state phase, the calculated data show that the predicted geometries can reproduce the structural parameters. The molecular modeling and calculations of IR, Raman and UV-vis spectra were performed by using DFT levels. Nonlinear optical (NLO) properties of synthesized complex were evaluated by the determining of dipole moment (µ), polarizability (α) and hyperpolarizability (β). Obtained results demonstrated that the manganese(II) complex is a good candidate for NLO material. Stability of the molecule arising from hyperconjugative interactions and charge delocalization was analyzed using natural bond orbital (NBO) analysis. The highest occupied and the lowest unoccupied molecular orbitals (HOMO and LUMO) which is also known the frontier molecular orbitals were simulated, and obtained energy gap confirmed that charge transfer occurs within manganese(II) complex. Molecular electrostatic potential (MEP) for synthesized manganese(II) complex displays the electrophilic and nucleophilic regions. From MEP, the the most negative region is located over carboxyl O atoms while positive region is located over H atoms.Keywords: DFT, picolinate, IR, Raman, nonlinear optic
Procedia PDF Downloads 500