Search results for: support system
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 22400

Search results for: support system

3890 Hanta Virus Infection in a Child and Sequelae

Authors: Vijay Samuel, Tina Thekkekkara, Shoma Ganguly

Abstract:

There is no reported Hanta Seoul virus infection in children in the UK so far, making it quite challenging for clinicians in diagnosing, predicting and prognosticating the outcome of the infection to patients and parents. We report a case of a ten-year-old girl who presented with pyrexia associated with headache, photophobia and abdominal pain. The family had recently acquired two pet rats six weeks ago. She appeared flushed with peri-oral pallor, coated the strawberry tongue, inflamed tonsils and bilateral cervical lymphadenopathy. Her liver and splenic edges were palpable. Investigations showed that she was thrombocytopenic with deranged renal and liver functions. An ultrasound abdomen demonstrated a mildly enlarged spleen, peripancreatic lymph node and an acalculous cholecystitis. In view of her clinical presentation, a diagnosis of leptospirosis was considered and she was commenced on intravenous benzylpenicillin. The following day she became oliguric, developed significant proteinuria and her renal function deteriorated. Following conservative management, her urine output gradually improved along with her renal function, proteinuria and thrombocytopaenia. Serology for leptospirosis and various other viruses were negative. Following discussion with the Rare and Imported Pathogens Laboratory at Porton hanta virus serology was requested and found to be strongly positive for Seoul hanta virus. Following discharge she developed palpitations, fatigue, severe headache and cognitive difficulties including memory loss and difficulties in spelling, reading and mathematics. Extensive investigations including ECG, MRI brain and CSF studies were performed and revealed no significant abnormalities. Since 2012, there have been six cases of acute kidney injury due to Hantavirus infection in the UK. Two cases were from the Humber region and were exposure to wild rats and the other four were exposed to specially bred pet fancy rats. Hanta virus infections can cause mild flu like symptoms but two clinical syndromes are associated with severe disease including haemorrhagic fever with renal syndrome, which may be associated with thrombocytopenia and Hantavirus cardiopulmonary syndrome. Neuropsychological impairments reported following hantavirus pulmonary syndrome and following Puumala virus infection have been reported. Minor white matter lesions were found in about half of the patients investigated with MRI brain. Seoul virus has a global distribution owing to the dispersal of its carrier host rats, through global trade. Several ports in the region could explain the possible establishment of Seoul virus in local populations of rats in the Yorkshire and Humber region. The risk of infection for occupationally exposed groups is 1-3% compared to 32.9% for specialist pet rat owners. The report highlight’s the importance of routinely asking about pets in the family. We hope to raise awareness of the emergence of hantavirus infection in the UK, particularly in the Yorkshire and Humber region. Clinicians should consider hantavirus infection as a potential cause of febrile illness causing renal impairment in children. Awareness of the possible neuro-cognitive sequele would help the clinicians offer appropriate information and support to children and their families. Contacting Rare and Imported Pathogens Laboratory at Porton is a useful resource for clinicians in UK when they consider unusual infections.

Keywords: Seoul hantavirus in child Porton, UK Acute kidney injury

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3889 Sphingosomes: Potential Anti-Cancer Vectors for the Delivery of Doxorubicin

Authors: Brajesh Tiwari, Yuvraj Dangi, Abhishek Jain, Ashok Jain

Abstract:

The purpose of the investigation was to evaluate the potential of sphingosomes as nanoscale drug delivery units for site-specific delivery of anti-cancer agents. Doxorubicin Hydrochloride (DOX) was selected as a model anti-cancer agent. Sphingosomes were prepared and loaded with DOX and optimized for size and drug loading. The formulations were characterized by Malvern zeta-seizer and Transmission Electron Microscopy (TEM) studies. Sphingosomal formulations were further evaluated for in-vitro drug release study under various pH profiles. The in-vitro drug release study showed an initial rapid release of the drug followed by a slow controlled release. In vivo studies of optimized formulations and free drug were performed on albino rats for comparison of drug plasma concentration. The in- vivo study revealed that the prepared system enabled DOX to have had enhanced circulation time, longer half-life and lower elimination rate kinetics as compared to free drug. Further, it can be interpreted that the formulation would selectively enter highly porous mass of tumor cells and at the same time spare normal tissues. To summarize, the use of sphingosomes as carriers of anti-cancer drugs may prove to be a fascinating approach that would selectively localize in the tumor mass, increasing the therapeutic margin of safety while reducing the side effects associated with anti-cancer agents.

Keywords: sphingosomes, anti-cancer, doxorubicin, formulation

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3888 Regioselective Nucleophilic Substitution of the Baylis-Hillman Adducts with Iodine

Authors: Zahid Shafiq, Li Liu, Dong Wang, Yong-Jun Chen

Abstract:

As synthetic organic methods are increasingly concerned with the growing importance of sustainable chemistry, iodine recently has emerged as an inexpensive, non-toxic, readily available and environmentally benign catalyst for various organic transformations to afford the corresponding products in high yields with high regio- and chemoselectivity. Iodine has found widespread applications in various organic synthesis such as Michael addition, coupling reaction and also in the multicomponent synthesis where it can efficiently activate C=C, C=O, C=N, and so forth. Iodine not only has been shown to be an efficient mild Lewis acid in various processes, but also due to its moderate nature, and water tolerance, reactions catalyzed by iodine can be effectively carried out in neutral media under very mild conditions. We have successfully described an efficient procedure for the nucleophilic substitution of the Baylis-Hillman (BH) adducts and their corresponding acetates with indoles to get α-substitution product using catalytic Silver Triflate (AgOTf) as Lewis acid. At this point, we were interested to develop an environmentally benign catalytic system to effect this substitution reaction and to avoid the use of metal Lewis acid as a catalyst. Since, we observed the formation of -product during the course of the reaction, we also became interested to explore the reaction conditions in order to control regioselectivity and to obtain both regioisomers. The developed methodology resulted in regioselective substitution products with controlled selectivity. Further, the substitution products were used to synthesize various Tri- and Tetracyclo Azepino indole derivatives via reductive amination.

Keywords: indole, regioselective, Baylis-Hillman, substitution

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3887 Detection and Classification of Mammogram Images Using Principle Component Analysis and Lazy Classifiers

Authors: Rajkumar Kolangarakandy

Abstract:

Feature extraction and selection is the primary part of any mammogram classification algorithms. The choice of feature, attribute or measurements have an important influence in any classification system. Discrete Wavelet Transformation (DWT) coefficients are one of the prominent features for representing images in frequency domain. The features obtained after the decomposition of the mammogram images using wavelet transformations have higher dimension. Even though the features are higher in dimension, they were highly correlated and redundant in nature. The dimensionality reduction techniques play an important role in selecting the optimum number of features from the higher dimension data, which are highly correlated. PCA is a mathematical tool that reduces the dimensionality of the data while retaining most of the variation in the dataset. In this paper, a multilevel classification of mammogram images using reduced discrete wavelet transformation coefficients and lazy classifiers is proposed. The classification is accomplished in two different levels. In the first level, mammogram ROIs extracted from the dataset is classified as normal and abnormal types. In the second level, all the abnormal mammogram ROIs is classified into benign and malignant too. A further classification is also accomplished based on the variation in structure and intensity distribution of the images in the dataset. The Lazy classifiers called Kstar, IBL and LWL are used for classification. The classification results obtained with the reduced feature set is highly promising and the result is also compared with the performance obtained without dimension reduction.

Keywords: PCA, wavelet transformation, lazy classifiers, Kstar, IBL, LWL

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3886 Emerging Cyber Threats and Cognitive Vulnerabilities: Cyberterrorism

Authors: Oludare Isaac Abiodun, Esther Omolara Abiodun

Abstract:

The purpose of this paper is to demonstrate that cyberterrorism is existing and poses a threat to computer security and national security. Nowadays, people have become excitedly dependent upon computers, phones, the Internet, and the Internet of things systems to share information, communicate, conduct a search, etc. However, these network systems are at risk from a different source that is known and unknown. These network systems risk being caused by some malicious individuals, groups, organizations, or governments, they take advantage of vulnerabilities in the computer system to hawk sensitive information from people, organizations, or governments. In doing so, they are engaging themselves in computer threats, crime, and terrorism, thereby making the use of computers insecure for others. The threat of cyberterrorism is of various forms and ranges from one country to another country. These threats include disrupting communications and information, stealing data, destroying data, leaking, and breaching data, interfering with messages and networks, and in some cases, demanding financial rewards for stolen data. Hence, this study identifies many ways that cyberterrorists utilize the Internet as a tool to advance their malicious mission, which negatively affects computer security and safety. One could identify causes for disparate anomaly behaviors and the theoretical, ideological, and current forms of the likelihood of cyberterrorism. Therefore, for a countermeasure, this paper proposes the use of previous and current computer security models as found in the literature to help in countering cyberterrorism

Keywords: cyberterrorism, computer security, information, internet, terrorism, threat, digital forensic solution

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3885 Qualitative and Quantitative Analysis of Uranium in Ceramic Tiles Using Laser-Induced Breakdown Spectroscopy and Gamma-Ray Spectroscopy

Authors: Reem M. Altuwirqi, Mohja S. Summan, Entesar A. Ganash, Safia H. Hamidalddin, Tamer E. Youssef, Mohammed A. Gondal

Abstract:

Laser-Induced Breakdown Spectroscopy (LIBS) technique using 1064 nm Nd: YAG laser was optimized and applied for investigating the existence of radioactive elements (uranium) in twenty-six different ceramic tiles. These tiles were collected from the local Saudi market. Qualitative and quantitative analysis for trace radioactive elements like uranium in these samples was achieved using LIBS. The plasma parameters such as temperature and electron density were calculated to confirm that the plasma generated by the tile samples under laser irradiation can be related to analyte concentrations. In order to perform a quantitative analysis, calibration curves were constructed for two uranium lines (U II (424.166 nm) and U II (424.437 nm)). The Uranium activity concentration in Bq/kg for each sample was measured. Cross-validation of LIBS results with a conventional technique such as Gamma-Ray spectroscopy was also carried out for five ceramic samples. The results show that the LIBS method is an effective way of determining radioactive elements such as uranium in ceramic tiles. Moreover, the uranium concentrations of the investigated samples were below the permissible safe limit for building materials in the majority of samples. Such LIBS system could be applied to determine the presence of natural radioactive elements in ceramic tiles and their radioactivity level rapidly to ensure that they are under the safe allowed limit.

Keywords: laser-induced breakdown spectroscopy, gamma-ray spectroscopy, natural radioactivity, uranium, ceramic tiles

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3884 Cleaner Production Options for Fishery Wastes Around Lake Tana-Ethiopia

Authors: Abate Getnet Demisash, Beshatu Taye Hatew, Ababo Geleta Gudisa

Abstract:

As consumption trends of fish are rising in Ethiopia, assessment of the environmental performance of Fisheries becomes vital. Hence, Cleaner Production Assessment was conducted on Lake Tana No.1 Fish Supply Association. This paper focuses on determining the characteristics, quantity and setting up cleaner production option for the site with experimental investigation. The survey analysis showed that illegal waste dumping in Lake Tana is common practice in the area and some of the main reasons raised were they have no option than doing this for discharging fish wastes. Quantifying a fish waste by examination of records at the point of generation resulted in generation rate of 72,822.61 kg per year which is a significant amount of waste and needs management system. The result of the proximate analysis showed high free fat content of about 12.33% and this was a good candidate for the production of biodiesel that has been set as an option for fish waste utilization. Among the different waste management options, waste reduction by product optimization which involves biodiesel production was chosen as a potential method. Laboratory scale experiments were performed to produce renewable energy source from the wastes. The resulting biodiesel was characterized and found to have a density of 0.756kg/L, viscosity 0.24p and 153°C flash points which shows the product has values in compliance with American Society for Testing and Materials (ASTM) standards.

Keywords: biodiesel, cleaner production, renewable energy, clean energy, waste to energy

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3883 Integration of Virtual Learning of Induction Machines for Undergraduates

Authors: Rajesh Kumar, Puneet Aggarwal

Abstract:

In context of understanding problems faced by undergraduate students while carrying out laboratory experiments dealing with high voltages, it was found that most of the students are hesitant to work directly on machine. The reason is that error in the circuitry might lead to deterioration of machine and laboratory instruments. So, it has become inevitable to include modern pedagogic techniques for undergraduate students, which would help them to first carry out experiment in virtual system and then to work on live circuit. Further advantages include that students can try out their intuitive ideas and perform in virtual environment, hence leading to new research and innovations. In this paper, virtual environment used is of MATLAB/Simulink for three-phase induction machines. The performance analysis of three-phase induction machine is carried out using virtual environment which includes Direct Current (DC) Test, No-Load Test, and Block Rotor Test along with speed torque characteristics for different rotor resistances and input voltage, respectively. Further, this paper carries out computer aided teaching of basic Voltage Source Inverter (VSI) drive circuitry. Hence, this paper gave undergraduates a clearer view of experiments performed on virtual machine (No-Load test, Block Rotor test and DC test, respectively). After successful implementation of basic tests, VSI circuitry is implemented, and related harmonic distortion (THD) and Fast Fourier Transform (FFT) of current and voltage waveform are studied.

Keywords: block rotor test, DC test, no load test, virtual environment, voltage source inverter

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3882 Expression Profiling of Chlorophyll Biosynthesis Pathways in Chlorophyll B-Lacking Mutants of Rice (Oryza sativa L.)

Authors: Khiem M. Nguyen, Ming C. Yang

Abstract:

Chloroplast pigments are extremely important during photosynthesis since they play essential roles in light absorption and energy transfer. Therefore, understanding the efficiency of chlorophyll (Chl) biosynthesis could facilitate enhancement in photo-assimilates accumulation, and ultimately, in crop yield. The Chl-deficient mutants have been used extensively to study the Chl biosynthetic pathways and the biogenesis of the photosynthetic apparatus. Rice (Oryza sativa L.) is one of the most leading food crops, serving as staple food for many parts of the world. To author’s best knowledge, Chl b–lacking rice has been found; however the molecular mechanism of Chl biosynthesis still remains unclear compared to wild-type rice. In this study, the ultrastructure analysis, photosynthetic properties, and transcriptome profile of wild-type rice (Norin No.8, N8) and its Chl b-lacking mutant (Chlorina 1, C1) were examined. The finding concluded that total Chl content and Chl b content in the C1 leaves were strongly reduced compared to N8 leaves, suggesting that reduction in the total Chl content contributes to leaf color variation at the physiological level. Plastid ultrastructure of C1 possessed abnormal thylakoid membranes with loss of starch granule, large number of vesicles, and numerous plastoglobuli. The C1 rice also exhibited thinner stacked grana, which was caused by a reduction in the number of thylakoid membranes per granum. Thus, the different Chl a/b ratio of C1 may reflect the abnormal plastid development and function. Transcriptional analysis identified 23 differentially expressed genes (DEGs) and 671 transcription factors (TFs) that were involved in Chl metabolism, chloroplast development, cell division, and photosynthesis. The transcriptome profile and DEGs revealed that the gene encoding PsbR (PSII core protein) was down-regulated, therefore suggesting that the lower in light-harvesting complex proteins are responsible for the lower photosynthetic capacity in C1. In addition, expression level of cell division protein (FtsZ) genes were significantly reduced in C1, causing chloroplast division defect. A total of 19 DEGs were identified based on KEGG pathway assignment involving Chl biosynthesis pathway. Among these DEGs, the GluTR gene was down-regulated, whereas the UROD, CPOX, and MgCH genes were up-regulated. Observation through qPCR suggested that later stages of Chl biosynthesis were enhanced in C1, whereas the early stages were inhibited. Plastid structure analysis together with transcriptomic analysis suggested that the Chl a/b ratio was amplified both by the reduction in Chl contents accumulation, owning to abnormal chloroplast development, and by the enhanced conversion of Chl b to Chl a. Moreover, the results indicated the same Chl-cycle pattern in the wild-type and C1 rice, indicating another Chl b degradation pathway. Furthermore, the results demonstrated that normal grana stacking, along with the absence of Chl b and greatly reduced levels of Chl a in C1, provide evidence to support the conclusion that other factors along with LHCII proteins are involved in grana stacking. The findings of this study provide insight into the molecular mechanisms that underlie different Chl a/b ratios in rice.

Keywords: Chl-deficient mutant, grana stacked, photosynthesis, RNA-Seq, transcriptomic analysis

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3881 Removal of Gaseous Pollutant from the Flue Gas in a Submerged Self-Priming Venturi Scrubber

Authors: Manisha Bal, B. C. Meikap

Abstract:

Hydrogen chloride is the most common acid gas emitted by the industries. HCl gas is listed as Title III hazardous air pollutant. It causes severe threat to the human health as well as environment. So, removal of HCl from flue gases is very imperative. In the present study, submerged self-priming venturi scrubber is chosen to remove the HCl gas with water as a scrubbing liquid. Venturi scrubber is the most popular device for the removal of gaseous pollutants. Main mechanism behind the venturi scrubber is the polluted gas stream enters at converging section which accelerated to maximum velocity at throat section. A very interesting thing in case of submerged condition, venturi scrubber is submerged inside the liquid tank and liquid is entered at throat section because of suction created due to large pressure drop generated at the throat section. Maximized throat gas velocity atomizes the entered liquid into number of tiny droplets. Gaseous pollutant HCl is absorbed from gas to liquid droplets inside the venturi scrubber due to interaction between the gas and water. Experiments were conducted at different throat gas velocity, water level and inlet concentration of HCl to enhance the HCl removal efficiency. The effect of throat gas velocity, inlet concentration of HCl, and water level on removal efficiency of venturi scrubber has been evaluated. Present system yielded very high removal efficiency for the scrubbing of HCl gas which is more than 90%. It is also concluded that the removal efficiency of HCl increases with increasing throat gas velocity, inlet HCl concentration, and water level height.

Keywords: air pollution, HCl scrubbing, mass transfer, self-priming venturi scrubber

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3880 Over Cracking in Furnace and Corrective Action by Computational Fluid Dynamics (CFD) Analysis

Authors: Mokhtari Karchegani Amir, Maboudi Samad, Azadi Reza, Dastanian Raoof

Abstract:

Marun's petrochemical cracking furnaces have a very comprehensive operating control system for combustion and related equipment, utilizing advanced instrument circuits. However, after several years of operation, numerous problems arose in the pyrolysis furnaces. A team of experts conducted an audit, revealing that the furnaces were over-designed, leading to excessive consumption of air and fuel. This issue was related to the burners' shutter settings, which had not been configured properly. The operations department had responded by increasing the induced draft fan speed and forcing the instrument switches to counteract the wind effect in the combustion chamber. Using Fluent and Gambit software, the furnaces were analyzed. The findings indicated that this situation elevated the convection part's temperature, causing uneven heat distribution inside the furnace. Consequently, this led to overheating in the convection section and excessive cracking within the coils in the radiation section. The increased convection temperature damaged convection parts and resulted in equipment blockages downstream of the furnaces due to the production of more coke and tar in the process. To address these issues, corrective actions were implemented. The excess air for burners and combustion chambers was properly set, resulting in improved efficiency, reduced emissions of environmentally harmful gases, prevention of creep in coils, decreased fuel consumption, and lower maintenance costs.

Keywords: furnace, coke, CFD analysis, over cracking

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3879 Impact of Interdisciplinary Therapy Allied to Online Health Education on Cardiometabolic Parameters and Inflammation Factor Rating in Obese Adolescents

Authors: Yasmin A. M. Ferreira, Ana C. K. Pelissari, Sofia De C. F. Vicente, Raquel M. Da S. Campos, Deborah C. L. Masquio, Lian Tock, Lila M. Oyama, Flavia C. Corgosinho, Valter T. Boldarine, Ana R. Dâmaso

Abstract:

The prevalence of overweight and obesity is growing around the world and currently considered a global epidemic. Food and nutrition are essential requirements for promoting health and protecting non-communicable chronic diseases, such as obesity and cardiovascular disease. Specific dietary components may modulate the inflammation and oxidative stress in obese individuals. Few studies have investigated the dietary Inflammation Factor Rating (IFR) in obese adolescents. The IFR was developed to characterize an individual´s diet on anti- to pro-inflammatory score. This evaluation contributes to investigate the effects of inflammatory diet in metabolic profile in several individual conditions. Objectives: The present study aims to investigate the effects of a multidisciplinary weight loss therapy on inflammation factor rating and cardiometabolic risk in obese adolescents. Methods: A total of 26 volunteers (14-19 y.o) were recruited and submitted to 20 weeks interdisciplinary therapy allied to health education website- Ciclo do Emagrecimento®, including clinical, nutritional, psychological counseling and exercise training. The body weight was monitored weekly by self-report and photo. The adolescents answered a test to evaluate the knowledge of the topics covered in the videos. A 24h dietary record was applied at the baseline and after 20 weeks to assess the food intake and to calculate IFR. A negative IFR suggests that diet may have inflammatory effects and a positive IFR indicates an anti-inflammatory effect. Statistical analysis was performed using the program STATISTICA version 12.5 for Windows. The adopted significant value was α ≤ 5 %. Data normality was verified with the Kolmogorov Smirnov test. Data were expressed as mean±SD values. To analyze the effects of intervention it was applied test t. Pearson´s correlations test was performed. Results: After 20 weeks of treatment, body mass index (BMI), body weight, body fat (kg and %), abdominal and waist circumferences decreased significantly. The mean of high-density lipoprotein cholesterol (HDL-c) increased after the therapy. Moreover, it was found an improvement of inflammation factor rating from -427,27±322,47 to -297,15±240,01, suggesting beneficial effects of nutritional counselling. Considering the correlations analysis, it was found that pro-inflammatory diet is associated with increase in the BMI, very low-density lipoprotein cholesterol (VLDL), triglycerides, insulin and insulin resistance index (HOMA-IR); while an anti-inflammatory diet is associated with improvement of HDL-c and insulin sensitivity Check index (QUICKI). Conclusion: The 20-week blended multidisciplinary therapy was effective to reduce body weight, anthropometric circumferences and improve inflammatory markers in obese adolescents. In addition, our results showed that an increase in inflammatory profile diet is associated with cardiometabolic parameters, suggesting the relevance to stimulate anti-inflammatory diet habits as an effective strategy to treat and control of obesity and related comorbidities. Financial Support: FAPESP (2017/07372-1) and CNPq (409943/2016-9)

Keywords: cardiometabolic risk, inflammatory diet, multidisciplinary therapy, obesity

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3878 Spatial-Temporal Characteristics of Bacterioplankton in the Upper Part of Taktakorpu Water Complex

Authors: Fidan Z. Aliyeva

Abstract:

In the presented article, the formation of the microbiological regime in the Takhtakorpu water complex, as well as spatial-temporal changes in the quantitative indicators of bacterioplankton, were studied. Taktakorpu water complex was built as a continuation of the reconstruction and expansion project of the Samur-Absheron irrigation system in Shabran on the northeastern slope of our republic. It should be noted that with the implementation of the project, the water supply of up to 150 thousand ha of useful land in the northern region has been improved, and the drinking, technical, and irrigation water needs of the population of Baku, Sumgayit and also the Absheron Peninsula, and industrial and agricultural areas, joining the agricultural circulation of new soil areas, Takhtakorpu reservoir with a volume of 238.4 million m³, connected with them -Valvalachay- Takhtakorpu and Takhtakorpu-Jeyranbatan canals have been created, conditions have been created to increase the resources of the Jeyranbatan reservoir. Special attention is paid to the study of saprophytic bacteria in order to determine the development dynamics and biochemical activity of the microbiological regime in the Takhtakorpu Water Complex, which is of great strategic importance for our republic, to evaluate changes under the influence of anthropogenic factors, as well as to evaluate the properties of self-cleaning, mineralization features of organic substances of allochthon and autochthonous origin. One of the main goals of our research is to determine the main structural indicators of bacterioplankton in the upper part of Takhtakorpu water complex in the first three stations and analyzing their quantitative values in a certain time aspect.

Keywords: water, irrigation, sewage, wastewater

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3877 Electrochemical Sensing of L-Histidine Based on Fullerene-C60 Mediated Gold Nanocomposite

Authors: Sanjeeb Sutradhar, Archita Patnaik

Abstract:

Histidine is one of the twenty-two naturally occurring essential amino acids exhibiting two conformations, L-histidine and D-histidine. D-Histidine is biologically inert, while L-histidine is bioactive because of its conversion to neurotransmitter or neuromodulator histamine in both brain as well as central nervous system. The deficiency of L-histidine causes serious diseases like Parkinson’s disease, epilepsy and the failure of normal erythropoiesis development. Gold nanocomposites are attractive materials due to their excellent biocompatibility and are easy to adsorb on the electrode surface. In the present investigation, hydrophobic fullerene-C60 was functionalized with homocysteine via nucleophilic addition reaction to make it hydrophilic and to successively make the nanocomposite with in-situ prepared gold nanoparticles with ascorbic acid as reducing agent. The electronic structure calculations of the AuNPs@Hcys-C60 nanocomposite showed a drastic reduction of HOMO-LUMO gap compared to the corresponding molecules of interest, indicating enhanced electron transportability to the electrode surface. In addition, the electrostatic potential map of the nanocomposite showed the charge was distributed over either end of the nanocomposite, evidencing faster direct electron transfer from nanocomposite to the electrode surface. This nanocomposite showed catalytic activity; the nanocomposite modified glassy carbon electrode showed a tenfold higher kₑt, the electron transfer rate constant than the bare glassy carbon electrode. Significant improvement in its sensing behavior by square wave voltammetry was noted.

Keywords: fullerene-C60, gold nanocomposites, L-Histidine, square wave voltammetry

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3876 Effects of Sports Participation on Academics Performance of Students at Yaa Asantewaa Girls’ Senior High School

Authors: Alhassan Dramani Yakubu

Abstract:

The primary purpose of this study was to analyze effects that participating in sporting activities has on academic performance among students at Yaa Asantewaa Girls’ Senior High School. To dig out the main objective of the study, descriptive survey design was employed. The study used 45 respondents comprising of 25 student – athletes and 20 non-student – athletes. The purposive sampling and stratified random sampling technique were used to sample population of 455 students involved. The academic performance of sports participants is compared with those of non – participants in terms of their outcomes in the form of grades from mathematics. Data was obtained from the sample by the use of questionnaire which was self - administered. The questionnaire sought information on level of student’s participation in sports and importance of sports participation to students. Results revealed that participation in sporting activities is associated with higher grades among students. The analysis reinforces the idea that apart from their health benefits for participants, sporting activities lead to the attainment of the performance goals to which higher institutions aspire. The findings also implies that, mathematics teachers and other subject teachers should not fend off students from participating in sporting activities with the trepidation that participating in sports inflame academic performance. This study recommend that, educational programs about sports should be provided for students’ through the educational system to bring about positive academic performance.

Keywords: physical activity, physical education, intra mural, extra mural

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3875 Investigating the Determinants and Growth of Financial Technology Depth of Penetration among the Heterogeneous Africa Economies

Authors: Tochukwu Timothy Okoli, Devi Datt Tewari

Abstract:

The high rate of Fintech adoption has not transmitted to greater financial inclusion and development in Africa. This problem is attributed to poor Fintech diversification and usefulness in the continent. This concept is referred to as the Fintech depth of penetration in this study. The study, therefore, assessed its determinants and growth process in a panel of three emergings, twenty-four frontiers and five fragile African economies disaggregated with dummies over the period 2004-2018 to allow for heterogeneity between groups. The System Generalized Method of Moments (GMM) technique reveals that the average depth of Mobile banking and automated teller machine (ATM) is a dynamic heterogeneity process. Moreover, users' previous experiences/compatibility, trial-ability/income, and financial development were the major factors that raise its usefulness, whereas perceived risk, financial openness, and inflation rate significantly limit its usefulness. The growth rate of Mobile banking, ATM, and Internet banking in 2018 is, on average 41.82, 0.4, and 20.8 per cent respectively greater than its average rates in 2004. These greater averages after the 2009 financial crisis suggest that countries resort to Fintech as a risk-mitigating tool. This study, therefore, recommends greater Fintech diversification through improved literacy, institutional development, financial liberalization, and continuous innovation.

Keywords: depth of fintech, emerging Africa, financial technology, internet banking, mobile banking

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3874 The Cell Viability Study of Extracts of Bark, Flowers, Leaves and Seeds of Indian Dhak Tree, Flame of Forest

Authors: Madhavi S. Apte, Milind Bhitre

Abstract:

In pharmaceutical research and new drug development, medicinal plants have important roles. Similarly, Indian dhak tree belonging to family Fabaceae has been widely used in the traditional Indian medical system of ‘Ayurveda’ for the treatment of a variety of ailments. Hence the cell viability study was undertaken to evaluate and compare the activity of extracts of various parts like flower, bark, leaf, seed by conducting MTT assay method along with other pharmacognostical studies. The methanolic extracts of bark, flowers, leaves, and seeds were used for the study. The cell viability MTT assay was performed using the standard operating procedures. The extracts were dissolved in DMSO and serially diluted with complete medium to get the concentrations range of test concentration. DMSO concentration was kept < 0.1% in all the samples. HUVEC cells maintained in appropriate conditions were seeded in 96 well plates and treated with different concentrations of the test samples and incubated at 37°C, 5% CO₂ for 96 hours. MTT reagent was added to the wells and incubated for 4 hours; the dark blue formazan product formed by the cells was dissolved in DMSO under a safety cabinet and read at 550nm. Percentage inhibitions were calculated and plotted with the concentrations used to calculate the IC50 values. The bark, flower, leaves and seed extracts have shown the cytotoxicity activity and can be further studied for antiangiogenesis activity.

Keywords: pharmacognosy, Cell viability, MTT assay, anti-angiogenesis

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3873 Information Technology Impacts on the Supply Chain Performance: Case Study Approach

Authors: Kajal Zarei

Abstract:

Supply chain management is becoming an increasingly important issue in many businesses today. In such circumstances, a number of reasons such as management deficiency in different segments of the supply chain, lack of streamlined processes, resistance to change the current systems and technologies, and lack of advanced information system have paved the ground to ask for innovative research studies. To this end, information technology (IT) is becoming a major driver to overcome the supply chain limitations and deficiencies. The emergence of IT has provided an excellent opportunity for redefining the supply chain to be more effective and competitive. This paper has investigated the IT impact on two-digit industry codes in the International Standard Industrial Classification (ISIC) that are operating in four groups of the supply chains. Firstly, the primary fields of the supply chain were investigated, and then paired comparisons of different industry parts were accomplished. Using experts' ideas and Analytical Hierarchy Process (AHP), the status of industrial activities in Kurdistan Province in Iran was determined. The results revealed that manufacturing and inventory fields have been more important compared to other fields of the supply chain. In addition, IT has had greater impact on food and beverage industry, chemical industry, wood industry, wood products, and production of basic metals. The results indicated the need to IT awareness in supply chain management; in other words, IT applications needed to be developed for the identified industries.

Keywords: supply chain, information technology, analytical hierarchy process, two-digit codes, international standard industrial classification

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3872 Design of Multiband Microstrip Antenna Using Stepped Cut Method for WLAN/WiMAX and C/Ku-Band Applications

Authors: Ahmed Boutejdar, Bishoy I. Halim, Soumia El Hani, Larbi Bellarbi, Amal Afyf

Abstract:

In this paper, a planar monopole antenna for multi band applications is proposed. The antenna structure operates at three operating frequencies at 3.7, 6.2, and 13.5 GHz which cover different communication frequency ranges. The antenna consists of a quasi-modified rectangular radiating patch with a partial ground plane and two parasitic elements (open-loop-ring resonators) to serve as coupling-bridges. A stepped cut at lower corners of the radiating patch and the partial ground plane are used, to achieve the multiband features. The proposed antenna is manufactured on the FR4 substrate and is simulated and optimized using High Frequency Simulation System (HFSS). The antenna topology possesses an area of 30.5 x 30 x 1.6 mm3. The measured results demonstrate that the candidate antenna has impedance bandwidths for 10 dB return loss and operates from 3.80 – 3.90 GHz, 4.10 – 5.20 GHz, 11.2 – 11.5 GHz and from 12.5 – 14.0 GHz, which meet the requirements of the wireless local area network (WLAN), worldwide interoperability for microwave access (WiMAX), C- (Uplink) and Ku- (Uplink) band applications. Acceptable agreement is obtained between measurement and simulation results. Experimental results show that the antenna is successfully simulated and measured, and the tri-band antenna can be achieved by adjusting the lengths of the three elements and it gives good gains across all the operation bands.

Keywords: planar monopole antenna, FR4 substrate, HFSS, WLAN, WiMAX, C and Ku

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3871 Initiating Learning to Know among Fishers for Sustainable Fishery on Lake Victoria. A Case of Kigungu Fishing Ground Wakiso District

Authors: Namubiru Zula, Aganyira Kelle, Van der Linden Josje, Openjuru George Laadah

Abstract:

Learning to know is a key principle to lifelong learning, with self-direction as the cornerstone. This study sought to initiate self-direction for lifelong learning through social constructivism among fishers; with the major goal of creating a community of fishers who continuously learn from each other for sustainable fishing. Government of Uganda has instituted several mechanisms like co-management with Beach Management Unit (BMU) System against illegal fishing. However, illegal fishing persists, there is reduced fish stocks with several outcry on how fishers are handled. Some studies have indicated that it’s the poor orientation of BMU leaders and fishers which are top down. This initial engagement of fishers was conducted through a meeting and use of stake holder’s analysis tool to discuss the relevance of the study; harnessing fishers’ knowledge for sustainable fisheries on Lake Victoria, its objectives, the key stake holders to enable them fish sustainably. It revealed initial attempt to learn from each other and learning to know among fishers, with some elements of self-direction. However, fishers attempt to learning and self-direction are affected by prior brutal enforcement experiences. This meeting led to fishers gain some sense of hope towards enforcement brutality. The key stakeholders highlighted include MAAIF, FAO, UNBS, NaFIRRI, LVFO, BMU, UFPEA, Fishers m employers, Fisheries Protection Unit, GIZ, and any Non-Government organization but declined the Association of Fisheries and Lake Users in Uganda.

Keywords: self direction, lifelong learning, social constructivism, sustainable fishing

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3870 A Preliminary Study on the Tagal Eco-Tourism and Empowerment for Local Community

Authors: Christiana Jonut

Abstract:

The study addresses tagal as an ecotourism product that is uniquely for Sabah. It is a community based tourism venture that is influenced by the Dusun ethic’s traditional law. The traditional principle of tagal is focused primarily on individual exploitation of riverine resources and it was transformed into a community participation in the riverine conservation to foster the growth or survival of ecotourism. It manages a river into a sustainable manner. A smart partnership system between the community and the authority particularly the Department of Fisheries Sabah, tagal has successfully become an instrument to protect, revive and manage the river fish resources. In 2015, Sabah Fisheries Department added 536 tagal sites. Most tagal sites were turned into a community based tourism venture. They generate income through jobs creation for the purpose of uplifting the local’s economic level. Tagal ecotourism sites also increase environmental awareness of the local people to love their culture, tradition and environment. This venture also promotes the sustainability of the eco-tourism. The objective of this study is to explore the issues and contexts of empowerment of the local people in managing a successful tagal ecotourism. This study further explains how community capacity building is the major influence of empowerment of the local community. The methodology approach used is qualitative where interview is chosen as the data collection method. This is a literature review of exploring empowerment of the local community through various community capacity building initiatives that would motivate the local people to be actively involved in the tagal.

Keywords: capacity building, Tagal, ecotourism, empowerment, Sabah

Procedia PDF Downloads 345
3869 Optimal Portfolio of Multi-service Provision based on Stochastic Model Predictive Control

Authors: Yifu Ding, Vijay Avinash, Malcolm McCulloch

Abstract:

As the proliferation of decentralized energy systems, the UK power system allows small-scale entities such as microgrids (MGs) to tender multiple energy services including energy arbitrage and frequency responses (FRs). However, its operation requires the balance between the uncertain renewable generations and loads in real-time and has to fulfill their provision requirements of contract services continuously during the time window agreed, otherwise it will be penalized for the under-delivered provision. To hedge against risks due to uncertainties and maximize the economic benefits, we propose a stochastic model predictive control (SMPC) framework to optimize its operation for the multi-service provision. Distinguished from previous works, we include a detailed economic-degradation model of the lithium-ion battery to quantify the costs of different service provisions, as well as accurately describe the changing dynamics of the battery. Considering a branch of load and generation scenarios and the battery aging, we formulate a risk-averse cost function using conditional value at risk (CVaR). It aims to achieve the maximum expected net revenue and avoids severe losses. The framework will be performed on a case study of a PV-battery grid-tied microgrid in the UK with real-life data. To highlight its performance, the framework will be compared with the case without the degradation model and the deterministic formulation.

Keywords: model predictive control (MPC), battery degradation, frequency response, microgrids

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3868 The Impact of Language Anxiety on EFL Learners' Proficiency: Case Study of University of Jeddah

Authors: Saleh Mohammad Alqahtani

Abstract:

Foreign language Anxiety has been found to be a key issue in learning English as foreign language in the classroom. This study investigated the impact of foreign language anxiety on Saudi EFL learners' proficiency in the classroom. A total of 197 respondents had participated in the study, comprising of 96 male and 101 female, who enrolled in preparatory year, first year, second year, and fourth year of English language department at the University of Jeddah. Two instruments were used to answer the study questions. The Foreign Language Classroom Anxiety Scale (FLCAS) was used to identify the levels of foreign language (FL) anxiety for Saudi learners. Moreover, an International English Language Testing System (IELTS) test was used as an objective measure of the learners’ English language proficiency. The data were analyzed using descriptive analyses, t-test, one-way ANOVA, correlation, and regression analysis. The findings revealed that Saudi EFL learners' experience a level of anxiety in the classroom, and there is a significant differences between the course levels in their level of language anxiety. Moreover, it is also found that female students are less anxious in learning English as a foreign language than male students. The results show that foreign language anxiety and English proficiency are negatively related to each other. Furthermore, the study revealed that there were significant differences between Saudi learners in language use anxiety, while there were no significant differences in language class anxiety. The study suggested that teachers should employ a diversity of designed techniques to encourage the environment of the classroom in order to control learners’ FLA, which in turns will improve their EFL proficiency.

Keywords: foreign language anxiety, FLA, language use anxiety, language class anxiety, gender, L2 proficiency

Procedia PDF Downloads 237
3867 Unique Interprofessional Mental Health Education Model: A Pre/Post Survey

Authors: Michele L. Tilstra, Tiffany J. Peets

Abstract:

Interprofessional collaboration in behavioral healthcare education is increasingly recognized for its value in training students to address diverse client needs. While interprofessional education (IPE) is well-documented in occupational therapy education to address physical health, limited research exists on collaboration with counselors to address mental health concerns and the psychosocial needs of individuals receiving care. Counseling education literature primarily examines the collaboration of counseling students with psychiatrists, psychologists, social workers, and marriage and family therapists. This pretest/posttest survey research study explored changes in attitudes toward interprofessional teams among 56 Master of Occupational Therapy (MOT) (n = 42) and Counseling and Human Development (CHD) (n = 14) students participating in the Counselors and Occupational Therapists Professionally Engaged in the Community (COPE) program. The COPE program was designed to strengthen the behavioral health workforce in high-need and high-demand areas. Students accepted into the COPE program were divided into small MOT/CHD groups to complete multiple interprofessional multicultural learning modules using videos, case studies, and online discussion board posts. The online modules encouraged reflection on various behavioral healthcare roles, benefits of team-based care, cultural humility, current mental health challenges, personal biases, power imbalances, and advocacy for underserved populations. Using the Student Perceptions of Interprofessional Clinical Education- Revision 2 (SPICE-R2) scale, students completed pretest and posttest surveys using a 5-point Likert scale (Strongly Agree = 5 to Strongly Disagree = 1) to evaluate their attitudes toward interprofessional teamwork and collaboration. The SPICE-R2 measured three different factors: interprofessional teamwork and team-based practice (Team), roles/responsibilities for collaborative practice (Roles), and patient outcomes from collaborative practice (Outcomes). The mean total scores for all students improved from 4.25 (pretest) to 4.43 (posttest), Team from 4.66 to 4.58, Roles from 3.88 to 4.30, and Outcomes from 4.08 to 4.36. A paired t-test analysis for the total mean scores resulted in a t-statistic of 2.54, which exceeded both one-tail and two-tail critical values, indicating statistical significance (p = .001). When the factors of the SPICE-R2 were analyzed separately, only the Roles (t Stat=4.08, p =.0001) and Outcomes (t Stat=3.13, p = .002) were statistically significant. The item ‘I understand the roles of other health professionals’ showed the most improvement from a mean score for all students of 3.76 (pretest) to 4.46 (posttest). The significant improvement in students' attitudes toward interprofessional teams suggests that the unique integration of OT and CHD students in the COPE program effectively develops a better understanding of the collaborative roles necessary for holistic client care. These results support the importance of IPE through structured, engaging interprofessional experiences. These experiences are essential for enhancing students' readiness for collaborative practice and align with accreditation standards requiring interprofessional education in OT and CHD programs to prepare practitioners for team-based care. The findings contribute to the growing body of evidence supporting the integration of IPE in behavioral healthcare curricula to improve holistic client care and encourage students to engage in collaborative practice across healthcare settings.

Keywords: behavioral healthcare, counseling education, interprofessional education, mental health education, occupational therapy education

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3866 Anti-crisis Public Relations and Aspects of Effective Management in Georgian Companies

Authors: Marine Kobalava

Abstract:

Introduction. The paper substantiates the crucial role of anti-crisis PR in managing the image and reputation of companies. The critical situation caused by the Covid-19 virus in various countries of the world and the actions taken have had a significant negative impact on the image of companies and public groups. The mentioned circumstance has caused some problems for companies’ products in terms of customer demand. Accordingly, the main goal of PR has become to achieve the optimal relationship between companies and society with effective management. It should also be taken into account that the range of action of PR in crisis situations is much wider than that of advertising. In the paper, Public Relations is evaluated as a determining factor of the companies' prestige, its reliability, which has a decisive effect on the goodwill, trust, and general reputation of the public towards the company. The purpose of the study is to reveal the challenges of anti-crisis PR in Georgian companies and to develop recommendations on effective management mechanisms. Methodologies. Analysis, induction, synthesis, and other methods are used in the paper; Matrix and SWOT analysis are constructed. Ways of establishing and implementing an anti-crisis PR system in companies are proposed. The main aspects of anti-crisis management are identified by using the matrix of the choice of diversification strategy of the companies' activities, the possibilities of making adequate decisions using PR are studied according to the characteristics of the companies' activities and priority directions. Conclusion. The paper draws conclusions on modern problems of anti-crisis PR, offers recommendations on ways to solve it through PR strategies.

Keywords: anti-crisis PR, effective management, company, PR strategy

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3865 Estimating of Groundwater Recharge Value for Al-Najaf City, Iraq

Authors: Hayder H. Kareem

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Groundwater recharge is a crucial parameter for any groundwater management system. The variability of the recharge rates and the difficulty in estimating this factor in many processes by direct observation leads to the complexity of estimating the recharge value. Various methods are existing to estimate the groundwater recharge, with some limitations for each method to be able for application. This paper focuses particularly on a real study area, Al-Najaf City, Iraq. In this city, there are few groundwater aquifers, but the aquifer which is considered in this study is the closest one to the ground surface, the Dibdibba aquifer. According to the Aridity Index, which is estimated in the paper, Al-Najaf City is classified as a region located in an arid climate, and this identified that the most appropriate method to estimate the groundwater recharge is Thornthwaite's formula or Thornthwaite's method. From the calculations, the estimated average groundwater recharge over the period 1980-2014 for Al-Najaf City is 40.32 mm/year. Groundwater recharge is completely affected the groundwater table level (groundwater head). Therefore, to make sure that this value of recharge is true, the MODFLOW program has been used to apply this value through finding the relationship between the calculated and observed heads where a groundwater model for the Al-Najaf City study area has been built by MODFLOW to simulate this area for different purposes, one of these purposes is to simulate the groundwater recharge. MODFLOW results show that this value of groundwater recharge is extremely high and needs to be reduced. Therefore, a further sensitivity test has been carried out for the Al-Najaf City study area by the MODFLOW program through changing the recharge value and found that the best estimation of groundwater recharge value for this city is 16.5 mm/year where this value gives the best fitting between the calculated and observed heads with minimum values of RMSE % (13.175) and RSS m² (1454).

Keywords: Al-Najaf City, groundwater modelling, recharge estimation, visual MODFLOW

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3864 Physical Characterization of a Watershed for Correlation with Parameters of Thomas Hydrological Model and Its Application in Iber Hidrodinamic Model

Authors: Carlos Caro, Ernest Blade, Nestor Rojas

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This study determined the relationship between basic geo-technical parameters and parameters of the hydro logical model Thomas for water balance of rural watersheds, as a methodological calibration application, applicable in distributed models as IBER model, which represents a distributed system simulation models for unsteady flow numerical free surface. There was an exploration in 25 points (on 15 sub) basin of Rio Piedras (Boy.) obtaining soil samples, to which geo-technical characterization was performed by laboratory tests. Thomas model has a physical characterization of the input area by only four parameters (a, b, c, d). Achieve measurable relationship between geo technical parameters and 4 values of hydro logical parameters helps to determine subsurface, underground and surface flow more agile manner. It is intended in this way to reach some solutions regarding limits initial model parameters on the basis of Thomas geo-technical characterization. In hydro geological models of rural watersheds, calibration is an important process in the characterization of the study area. This step can require a significant computational cost and time, especially if the initial values or parameters before calibration are outside of the geo-technical reality. A better approach in these initial values means optimization of these process through a geo-technical materials area, where is obtained an important approach to the study as in the starting range of variation for the calibration parameters.

Keywords: distributed hydrology, hydrological and geotechnical characterization, Iber model

Procedia PDF Downloads 509
3863 Advanced Numerical and Analytical Methods for Assessing Concrete Sewers and Their Remaining Service Life

Authors: Amir Alani, Mojtaba Mahmoodian, Anna Romanova, Asaad Faramarzi

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Pipelines are extensively used engineering structures which convey fluid from one place to another. Most of the time, pipelines are placed underground and are encumbered by soil weight and traffic loads. Corrosion of pipe material is the most common form of pipeline deterioration and should be considered in both the strength and serviceability analysis of pipes. The study in this research focuses on concrete pipes in sewage systems (concrete sewers). This research firstly investigates how to involve the effect of corrosion as a time dependent process of deterioration in the structural and failure analysis of this type of pipe. Then three probabilistic time dependent reliability analysis methods including the first passage probability theory, the gamma distributed degradation model and the Monte Carlo simulation technique are discussed and developed. Sensitivity analysis indexes which can be used to identify the most important parameters that affect pipe failure are also discussed. The reliability analysis methods developed in this paper contribute as rational tools for decision makers with regard to the strengthening and rehabilitation of existing pipelines. The results can be used to obtain a cost-effective strategy for the management of the sewer system.

Keywords: reliability analysis, service life prediction, Monte Carlo simulation method, first passage probability theory, gamma distributed degradation model

Procedia PDF Downloads 444
3862 Quasiperiodic Magnetic Chains as Spin Filters

Authors: Arunava Chakrabarti

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A one-dimensional chain of magnetic atoms, representative of a quantum gas in an artificial quasi-periodic potential and modeled by the well-known Aubry-Andre function and its variants are studied in respect of its capability of working as a spin filter for arbitrary spins. The basic formulation is explained in terms of a perfectly periodic chain first, where it is shown that a definite correlation between the spin S of the incoming particles and the magnetic moment h of the substrate atoms can open up a gap in the energy spectrum. This is crucial for a spin filtering action. The simple one-dimensional chain is shown to be equivalent to a 2S+1 strand ladder network. This equivalence is exploited to work out the condition for the opening of gaps. The formulation is then applied for a one-dimensional chain with quasi-periodic variation in the site potentials, the magnetic moments and their orientations following an Aubry-Andre modulation and its variants. In addition, we show that a certain correlation between the system parameters can generate absolutely continuous bands in such systems populated by Bloch like extended wave functions only, signaling the possibility of a metal-insulator transition. This is a case of correlated disorder (a deterministic one), and the results provide a non-trivial variation to the famous Anderson localization problem. We have worked within a tight binding formalism and have presented explicit results for the spin half, spin one, three halves and spin five half particles incident on the magnetic chain to explain our scheme and the central results.

Keywords: Aubry-Andre model, correlated disorder, localization, spin filter

Procedia PDF Downloads 345
3861 The Rational Design of Original Anticancer Agents Using Computational Approach

Authors: Majid Farsadrooh, Mehran Feizi-Dehnayebi

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Serum albumin is the most abundant protein that is present in the circulatory system of a wide variety of organisms. Although it is a significant macromolecule, it can contribute to osmotic blood pressure and also, plays a superior role in drug disposition and efficiency. Molecular docking simulation can improve in silico drug design and discovery procedures to propound a lead compound and develop it from the discovery step to the clinic. In this study, the molecular docking simulation was applied to select a lead molecule through an investigation of the interaction of the two anticancer drugs (Alitretinoin and Abemaciclib) with Human Serum Albumin (HSA). Then, a series of new compounds (a-e) were suggested using lead molecule modification. Density functional theory (DFT) including MEP map and HOMO-LUMO analysis were used for the newly proposed compounds to predict the reactivity zones on the molecules, stability, and chemical reactivity. DFT calculation illustrated that these new compounds were stable. The estimated binding free energy (ΔG) values for a-e compounds were obtained as -5.78, -5.81, -5.95, -5,98, and -6.11 kcal/mol, respectively. Finally, the pharmaceutical properties and toxicity of these new compounds were estimated through OSIRIS DataWarrior software. The results indicated no risk of tumorigenic, irritant, or reproductive effects and mutagenicity for compounds d and e. As a result, compounds d and e, could be selected for further study as potential therapeutic candidates. Moreover, employing molecular docking simulation with the prediction of pharmaceutical properties helps to discover new potential drug compounds.

Keywords: drug design, anticancer, computational studies, DFT analysis

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