Search results for: quantum correlations

Authors: Fatima Muhammad Shitu

Abstract:

This study seeks to investigate the effect of the keyword strategy on lexico–semantic acquisition, recognition, retention and comprehension in an ESL context. The aim of the study is to determine whether the keyword strategy can be used to enhance acquisition. As a quasi- experimental research, the objectives of the study include: To determine the extent to which the scores obtained by the subjects, who were trained on the use of the keyword strategy for acquisition, differ at the pre-tests and the post–tests and also to find out the relationship in the scores obtained at these tests levels. The sample for the study consists of 300 hundred undergraduate ESL Students in the Federal College of Education, Kano. The seventy-five lexical items for acquisition belong to the lexical field category known as register, and they include Medical, Agriculture and Photography registers (MAP). These were divided in the ratio twenty-five (25) lexical items in each lexical field. The testing technique was used to collect the data while the descriptive and inferential statistics were employed for data analysis. For the purpose of testing, the two kinds of tests administered at each test level include the WARRT (Word Acquisition, Recognition, and Retention Test) and the CCPT (Cloze Comprehension Passage Test). The results of the study revealed that there are significant differences in the scores obtained between the pre-tests, and the post–tests and there are no correlations in the scores obtained as well. This implies that the keyword strategy has effectively enhanced the acquisition of the lexical items studied.

Keywords: keyword, lexical, semantics, strategy

Procedia PDF Downloads 305

Authors: Theodorou Kyriaki, Ypsilantis George

Abstract:

Vocabulary learning has attracted a lot of attention in recent years, contrary to the neglected part of the past. Along with the interest in finding successful vocabulary teaching strategies, many scholars focused on locating learning strategies used by language learners. As a result, more and more studies in the area of language pedagogy have been investigating the use of strategies in vocabulary learning by different types of learners. A common instrument in this field is the questionnaire, a tool of work that was enriched by questions involving current technology, and it was further implemented to a sample of 300 Greek students whose age varied from 9 and 17 years. Strategies located were grouped into the three categories of memory, cognitive, and compensatory type and associations between these dependent variables were investigated. In addition, relations between dependent and independent variables (such as age, sex, type of school, cultural background, and grade in English) were pursued to investigate the impact on strategy selection. Finally, results were compared to findings of other studies in the same field to contribute to a hypothesis of ethnic differences in strategy selection. Results initially discuss preferred strategies of all participants and further indicate that: a) technology affects strategy selection while b) differences between ethnic groups are not statistically significant. A number of successful strategies are presented, resulting from correlations of strategy selection and final school grade in English.

Keywords: acquisition of English, internet technology, research among Greek students, vocabulary learning strategies

Procedia PDF Downloads 502

Authors: Azam Fazelpour, Saeed R. Dehghani, Vlastimil Masek, Yuri S. Muzychka

Abstract:

This study employs a method based on image analyses and structure information to detect accumulated ice on known structures. The icing of marine vessels and offshore structures causes significant reductions in their efficiency and creates unsafe working conditions. Image processing methods are used to measure ice loads automatically. Most image processing methods are developed based on captured image analyses. In this method, ice loads on structures are calculated by defining structure coordinates and processing captured images. A pyramidal structure is designed with nine cylindrical bars as the known structure of experimental setup. Unsymmetrical ice accumulated on the structure in a cold room represents the actual case of experiments. Camera intrinsic and extrinsic parameters are used to define structure coordinates in the image coordinate system according to the camera location and angle. The thresholding method is applied to capture images and detect iced structures in a binary image. The ice thickness of each element is calculated by combining the information from the binary image and the structure coordinate. Averaging ice diameters from different camera views obtains ice thicknesses of structure elements. Comparison between ice load measurements using this method and the actual ice loads shows positive correlations with an acceptable range of error. The method can be applied to complex structures defining structure and camera coordinates.

Keywords: camera calibration, ice detection, ice load measurements, image processing

Procedia PDF Downloads 363

Authors: Eman A. Embaby, Amira A. A. Abdallah

Abstract:

Background: Occupational standing is associated with low back pain (LBP) development. Yet, trunk and gluteus-medius muscles’ fatigability has not been extensively studied during occupational standing. This study examined and correlated the rectus abdominus (RA), erector-spinae (ES), external oblique (EO), and gluteus-medius (GM) muscles’ fatigability on both sides while standing in a confined area for 30 min Methods: Median frequency EMG data were collected from 15 female clinical instructors with chronic LBP (group A) and 15 asymptomatic controls (group B) (mean age 29.53±2.4 vs. 29.07±2.4 years, weight 63.6±7 vs. 60±7.8 kg, and height 162.73±4 vs. 162.8±6 cm respectively) using a spectrum analysis program. Data were collected in the first and last 5min of the standing task. Results: Using Mixed three-way ANOVA, group A showed significantly (p<0.05) lower frequencies for the right and left ES, and right GM in the last 5 min and significantly higher frequencies for the left RA in the first and last 5min than group B. In addition, the left ES and right EO, ES and GM in group B showed significantly higher frequencies and the left ES in group A showed significantly lower frequencies in the last 5min compared with the first. Moreover, the right RA showed significantly higher frequencies than the left in the last 5min in group B. Finally, there were significant (p<0.05) correlations among the median frequencies of the tested four muscles on the same side and between both sides in both groups. Discussion/Conclusions: Clinical instructors with LBP are more liable to have higher trunk and gluteus-medius muscle fatigue than asymptomatic individuals. Thus, endurance training for these muscles should be included in the rehabilitation of such patients.

Keywords: EMG, fatigability, gluteus-medius, LBP, standing, trunk

Procedia PDF Downloads 237

Authors: E. Erdogan, H. A. Erdogan

Abstract:

FengShui, an old Chinese discipline, dates back to more than 5000 years, is one of the design principles that aim at creating habitable and sustainable spaces in harmony with nature by systematizing data within its own structure. Having emerged from Chinese mysticism and embodying elements of faith in its principles, FengShui argues that the positive energy in the environment channels human behavior and psychology. This argument is supported with the thesis of quantum physics that ‘everything is made up of energy’ and gains an important place. In spaces where living and working take place with several principles and systematized rules, FengShui promises a happier, more peaceful and comfortable life by influencing human psychology, acts, and soul as well as the professional and social life of the individual. Observing these design properties in houses, workplaces, offices, the environment, and daily life as a design paradigm is significant. In this study, how FengShui, a Central Asian culture emanated from Chinese mysticism, shapes design and how it is used as an element of sustainable design will be explained.

Keywords: Feng Shui, design principle, sustainability, philosophy

Procedia PDF Downloads 531

Authors: Sunil Kumar Singal, Manoj Sood, Upendra Bajpai

Abstract:

Instream technology is the upcoming sustainable approach in the hydro sector for energy harnessing. With well-known cross-sections and regulated supply, open channels are the most prominent locations for the installation of hydrokinetic turbines. The fluctuation in generated torque varies with site condition (flow depth and flow velocity), as well as with the type of turbine. The present experimental study aims to investigate the torque/power fluctuations of crossflow hydrokinetic turbines operating at different flow velocities and water depths. The flow velocity is varied from 1.0 m/s to 2.0 m/s. The complete assembly includes an open channel having dimensions of 0.3 m (depth) x 0.71 m (width) x 4.5 m (length), along with a lifting mechanism for varying the channel slope, a digital transducer for monitoring the torque, power, and rpm, a digital handheld water velocity meter for measuring the flow velocity. Further, a time series of torque, power, and rpm is plotted for a duration of 30 minutes showing the continuous operation of the turbine. A comparison of Savonius, Darrieus, and their improved twisted and helical blades is also presented in the study. A correlation has also been developed for assessing the hydropower generation from the installed turbine. The developed correlations will be very useful in the decision-making process for development at a site.

Keywords: darrieus turbine, flow velocity, open channel, savoinus turbine, water depth, hydropower

Procedia PDF Downloads 76

Authors: Morteza Keshavarz

Abstract:

In this work, using density functional theory (DFT) thermodynamic stability and quantum molecular descriptors of cyclophoshphamide (an anticancer drug)-functionalized zigzag (8,0) CNT, armchair (4,4) CNT and nanocone complexes in water, for two attachment namely the sidewall and tip, is considered. Calculation of the total electronic energy (Et) and binding energy (Eb) of all complexes indicates that the most thermodynamic stability belongs to the sidewall-attachment of cyclophosphamide into functional nanocone. On the other hand, results from chemical hardness show that drug-functionalized zigzag (8,0) and armchair (4,4) complexes in the tip-attachment configuration possess the smallest and greatest chemical hardness, respectively. By computing the solvation energy, it is found that the solution of the drug and all complexes are spontaneous in water. Furthermore, chirality, type of nanovector (nanotube or nanocone), or attachment configuration have no effects on solvation energy of complexes.

Keywords: carbon nanotube, drug delivery, cyclophosphamide drug, density functional theory (DFT)

Procedia PDF Downloads 360

Authors: Deng Zengming, Wang Mingjiang

Abstract:

As 3D video is explored as a hot research topic in the last few decades, free-viewpoint TV (FTV) is no doubt a promising field for its better visual experience and incomparable interactivity. View synthesis is obviously a crucial technology for FTV; it enables to render images in unlimited numbers of virtual viewpoints with the information from limited numbers of reference view. In this paper, a novel hybrid synthesis framework is proposed and blending priority is explored. In contrast to the commonly used View Synthesis Reference Software (VSRS), the presented synthesis process is driven in consideration of the temporal correlation of image sequences. The temporal correlations will be exploited to produce fine synthesis results even near the foreground boundaries. As for the blending priority, this scheme proposed that one of the two reference views is selected to be the main reference view based on the distance between the reference views and virtual view, another view is chosen as the auxiliary viewpoint, just assist to fill the hole pixel with the help of background information. Significant improvement of the proposed approach over the state-of –the-art pixel-based virtual view synthesis method is presented, the results of the experiments show that subjective gains can be observed, and objective PSNR average gains range from 0.5 to 1.3 dB, while SSIM average gains range from 0.01 to 0.05.

Keywords: fusion method, Gaussian mixture model, hybrid framework, view synthesis

Procedia PDF Downloads 245

Authors: Filip Stojcevski, Tim Hilditch, Luke Henderson

Abstract:

Although carbon fibre composites are becoming ever more prominent in the engineering industry, interfacial failure still remains one of the most common limitations to material performance. Carbon fiber surface treatments have played a major role in advancing composite properties however research into the influence of manufacturing variables on a fiber manufacturing line is lacking. This project investigates the impact of altering carbon fiber manufacturing conditions on a production line (specifically electrochemical oxidization and sizing variables) to assess fiber-matrix adhesion. Pristine virgin fibers were manufactured and interfacial adhesion systematically assessed from a microscale (single fiber) to a mesoscale (12k tow), and ultimately a macroscale (laminate). Correlations between interfacial shear strength (IFSS) at each level is explored as a function of known interfacial bonding mechanisms; namely mechanical interlocking, chemical adhesion and fiber wetting. Impact of these bonding mechanisms is assessed through extensive mechanical, topological and chemical characterisation. They are correlated to performance as a function of IFSS. Ultimately this study provides a bottoms up approach to improving composite laminates. By understanding the scaling effects from a singular fiber to a composite laminate and linking this knowledge to specific bonding mechanisms, material scientists can make an informed decision on the manufacturing conditions most beneficial for interfacial adhesion.

Keywords: carbon fibers, interfacial adhesion, surface treatment, sizing

Procedia PDF Downloads 259

Authors: Yilin Liao, Hewen Li, Paula McConvey

Abstract:

Speed skaters often face a risk of concussion when they fall on the ice floor and impact crash mats during practices and competitive races. Several variables, including those related to the skater, the crash mat, and the impact position (body side/head/feet impact), are believed to influence the severity of the skater's concussion. While computer simulation modeling can be employed to analyze these accidents, the simulation process is time-consuming and does not provide rapid information for coaches and teams to assess the skater's injury risk in competitive events. This research paper promotes the exploration of the feasibility of using AI techniques for evaluating skater’s potential concussion severity, and to develop a fast concussion prediction tool using artificial neural networks to reduce the risk of treatment delays for injured skaters. The primary data is collected through virtual tests and physical experiments designed to simulate skater-mat impact. It is then analyzed to identify patterns and correlations; finally, it is used to train and fine-tune the artificial neural networks for accurate prediction. The development of the prediction tool by employing machine learning strategies contributes to the application of AI methods in sports science and has theoretical involvements for using AI techniques in predicting and preventing sports-related injuries.

Keywords: artificial neural networks, concussion, machine learning, impact, speed skater

Procedia PDF Downloads 98

Authors: Pouya Khaleghi

Abstract:

Dental implants are a successful treatment modality for restoring both function and aesthetics. Dental implant treatment has predictive results in the replacement of the lost teeth and has a high success rate even in the long term. The most important factor which is responsible for the positive course of implant treatment is the process of osseointegration between the implant structure and the host’s bone tissue. During recent years, many studies have focused on surgical and prosthetic factors, as well as the implant-related factors. However, implant failure still occurs despite the improvements that have led to the increased survival rate of dental implants, which suggests the possible role of some host-related risk factors. Vitamin D is a fat-soluble vitamin regulating calcium and phosphorus metabolism in tissues. The role of vitamin D in bone healing has been under investigation for several years. Vitamin D deficiency has also been associated with impaired and delayed callus formation and fractures healing; however, the role of vitamin D has not been clarified. Therefore, it is extremely important to study the phenomenon of a connection formed between bone tissue and the surface of a titanium implant and find correlations between the 25- hydroxycholecalciferol concentration in blood serum and the course of osseointegration. Because the processes of bone remodeling are very dynamic in the period of actual osseointegration, it is necessary to obtain the correct concentration of vitamin D3 metabolites in blood serum. In conclusion, the correct level of 25-hydroxycholecalciferol on the day of surgery and vitamin D deficiency treatment have a significant influence on the increase in the bone level at the implant site during the process of osseointegration assessed radiologically.

Keywords: implant, osseointegration, vitamin d, dental

Procedia PDF Downloads 167

Authors: Awal Liman Sale

Abstract:

The world is fast becoming a global village; and a necessary tool for this process is communication, of which telecommunication is a key player. The quantum development is very rapid as one innovation replaces another in a matter of weeks. Interconnected phone calls across the different Nigerian Telecom service providers are mostly difficult to connect and often diverted, incurring unnecessary charges on the customers. This compels the consumers to register and use multiple subscriber information modules (SIM) so that they can switch to another if one fails. This study aims to identify and prioritize the key factors in selecting telecom service providers by subscribers in Nigeria using the Analytical Hierarchy Process (AHP) in order to match the factors with the GSM network providers and create a hierarchical structure. Opinions of 400 random subscribers of different service providers will be sought using the questionnaire. In general, four components and ten sub-components will be examined in this study. After determining the weight of these components, the importance of each in choosing the service will be prioritized in Nigeria.

Keywords: analytical hierarchy process, global village, Nigerian telecommunication, subscriber information modules

Procedia PDF Downloads 237

Authors: L. Al Ahmad, C. Latrille, D. Hainos, D. Blanc, M. Clausse

Abstract:

A two-dimensional finite volume axisymmetric model is developed to predict the simultaneous heat and mass transfers during the drying of industrial sludge. The simulations were run using COMSOL-Multiphysics 3.5a. The input parameters of the numerical model were acquired from a preliminary experimental work. Results permit to establish correlations describing the evolution of the various parameters as a function of the drying temperature and the sludge water content. The selection and coupling of the equation are validated based on the drying kinetics acquired experimentally at a temperature range of 45-65 °C and absolute pressure range of 200-1000 mbar. The model, incorporating the heat and mass transfer mechanisms at different operating conditions, shows simulated values of temperature and water content. Simulated results are found concordant with the experimental values, only at the first and last drying stages where sludge shrinkage is insignificant. Simulated and experimental results show that sludge drying is favored at high temperatures and low pressure. As experimentally observed, the drying time is reduced by 68% for drying at 65 °C compared to 45 °C under 1 atm. At 65 °C, a 200-mbar absolute pressure vacuum leads to an additional reduction in drying time estimated by 61%. However, the drying rate is underestimated in the intermediate stage. This rate underestimation could be improved in the model by considering the shrinkage phenomena that occurs during sludge drying.

Keywords: industrial sludge drying, heat transfer, mass transfer, mathematical modelling

Procedia PDF Downloads 125

Authors: Vipresh Mehta , Aman Abhishek, Jatin Batra, Gautam Iyer

Abstract:

Huge amount of solar radiation reaching the earth can be harnessed to provide electricity through Photo voltaic (PV) panels. The solar PV is an exciting technology but suffers from low efficiency. A study on low efficiency in multi MW solar power plants reveals that the electric yield of the PV modules is reduced due to reflection of the irradiation from the sun and when a module’s temperature is elevated, as there is decrease in the voltage and efficiency. We intend to alter the structure of the PV system, We also intend to improve the efficiency of the Solar Photo Voltaic Panels by active cooling to reduce the temperature losses considerably and decrease reflection losses to some extent. Reflectors/concentrators and anti-reflecting coatings are also used to intensify the amount of output produced from the system. Apart from this, transformer-less Grid-tied Inverter. And also, a T-LCL immitance circuit is used to reduce the harmonics and produce a constant output from the entire system.

Keywords: PV panels, efficiency improvement, active cooling, quantum dots, organic-inorganic hybrid 3D panel, ground water tunneling

Procedia PDF Downloads 765

Authors: Hossain A., Miah S., Ray P. K.

Abstract:

Introduction: Single channel and tri-channel applicators are used in the traditional treatment of cervical cancer. Total reference air kerma (TRAK) and treatment outcomes in high-dose-rate brachytherapy for cervical cancer using single-channel and tri-channel applicators were the main objectives of this retrospective study. Material and Methods: Patients in the radiotherapy division who received brachytherapy, chemotherapy, and external radiotherapy (EBRT) using single and tri-channel applicators were the subjects of a retrospective cohort study from 2016 to 2020. All brachytherapy parameters, including TRAK, were calculated in accordance with the international protocol. The Kaplan Meier method was used to analyze survival rates using a log-rank test. Results and Discussions: Based on treatment times of 15.34 (10-20) days and 21.35 (6.5-28) days, the TRAK for the tri-channel applicator was 0.52 cGy.m² and for the single-channel applicator was 0.34 cGy.m². Based on TRAK, the rectum, bladder, and tumor had respective Pearson correlations of 0.082, 0.009, and 0.032. The 1-specificity and sensitivity were 0.70 and 0.30, respectively. At that time, AUC was 0.71. The log-rank test showed that tri-channel applicators had a survival rate of 95% and single-channel applicators had a survival rate of 85% (p=0.565). Conclusions: The relationship between TRAK and treatment duration and Pearson correlation for the tumor, rectum, and bladder suggests that TRAK should be taken into account for the proper operation of single channel and tri-channel applicators.

Keywords: single-channel, tri-channel, high dose rate brachytherapy, cervical cancer

Procedia PDF Downloads 97

Authors: Jia Xue, Frederica G. Lamar, Siyu Lin, Jennifer G. Lamori, Samendra Sherchan

Abstract:

Brackish water samples from Lake Pontchartrain in Louisiana were assessed for the presence of pathogenic amoeba Naegleria fowleri, which causes primary amoebic meningoencephalitis (PAM). In our study, quantitative polymerase chain reaction (qPCR) methods were used to determine N. fowleri, E. coli, and Enterococcus in water collected from Lake Pontchartrain. A total of 158 water samples were analyzed over the 10-month sampling period. Statistically significant positive correlation between water temperature and N. fowleri concentration was observed. N. fowleri target sequence was detected at 35.4% (56/158) of the water samples from ten sites around the Lake ranged from 11.6 GC/100 ml water to 457.8 GC/100 ml water. A single factor (ANOVA) analysis shows the average concentration of N. fowleri in summer (119.8 GC/100 ml) was significantly higher than in winter (58.6 GC/100 ml) (p < 0.01). Statistically significant positive correlations were found between N. fowleri and qPCR E. coli results and N. fowleri and colilert E. coli (culture method), respectively. A weak positive correlation between E. coli and Enterococcus was observed from both qPCR (r = 0.27, p < 0.05) and culture based method (r = 0.52, p < 0.05). Meanwhile, significant positive correlation between qPCR and culture based methods for E. coli (r = 0.30, p < 0.05) and Enterococcus concentration was observed (r = 0.26, p < 0.05), respectively. Future research is needed to determine whether sediment is a source of N. fowleri found in the water column.

Keywords: brackish water, Escherichia coli, Enterococcus, Naegleria fowleri, primary amoebic meningoencephalitis (PAM), qPCR

Procedia PDF Downloads 156

Authors: Mehdi Mirzaei Alavijeh, Farzad Jalilian

Abstract:

Background: Marijuana is the most widely used illicit drug worldwide, especially among adolescents and young adults, which can cause numerous complications. The aim of this study was to determine the pattern, motivation use, and factors related to marijuana use among Iranian youths based on the integrative model of behavioral prediction Methods: A cross-sectional study was conducted among 174 youths marijuana user in Kermanshah County and Isfahan County, during summer 2014 which was selected with the convenience sampling for participation in this study. A self-reporting questionnaire was applied for collecting data. Data were analyzed by SPSS version 21 using bivariate correlations and linear regression statistical tests. Results: The mean marijuana use of respondents was 4.60 times at during week [95% CI: 4.06, 5.15]. Linear regression statistical showed, the structures of integrative model of behavioral prediction accounted for 36% of the variation in the outcome measure of the marijuana use at during week (R2 = 36% & P < 0.001); and among them attitude, marijuana refuse, and subjective norms were a stronger predictors. Conclusion: Comprehensive health education and prevention programs need to emphasize on cognitive factors that predict youth’s health-related behaviors. Based on our findings it seems, designing educational and behavioral intervention for reducing positive belief about marijuana, marijuana self-efficacy refuse promotion and reduce subjective norms encourage marijuana use has an effective potential to protect youths marijuana use.

Keywords: marijuana, youth, integrative model of behavioral prediction, Iran

Procedia PDF Downloads 550

Authors: Sarah Hamdan Al-Jahdali, Khaled Alsaad, Abdullah Al-Sayyari

Abstract:

Objectives: To study the prevalence, clinicopathological features, risk factors and outcome of biopsy proven polyoma (BK) virus infection among Saudi kidney transplant recipients and compare them to negative BK virus group. Methods: We retrospectively reviewed the charts of all the patients with biopsy-proven polyoma (BK) virus infection in King Abdulaziz Medical City in Riyadh between 2005 and 2011. The details of clinical presentation, the indication for kidney biopsy, the laboratory findings at presentation, the natural history of the disease, thepathological findings, the prognosis as well as the response to therapy were all recorded. Results: Kidney biopsy was performed in 37 cases of unexplained graft dysfunction. BK virus was found in 10 (27%). Out of those 10, 3 (30%) ended with graft failure. BK virus occurred in all patients who received ATG induction therapy 100% versus 59.3% in the non BK virus patients (p=0.06). Furthermore, the risk of BK virus was much less in those who received acyclovir as an anti-viral prophylaxis as compared to those who did not receive it (p=0.01). Also, patients with BK virus weighed much less (mean 46.7±20.6 Kgs) than those without BK virus at time of transplantation (mean 64.3±12.1). Graft survival was better among deceased donor kidneys compared to living ones (P=0.016) and with older age (P=0.005). Conclusion: Our findings suggest the involvement of ATG induction therapy, the lack of antiviral prophylaxis therapy and lower weight at transplant as significant risk factors for the development of BK virus infection.

Keywords: BKVAN, BKV, kidney transpant, Saudi Arabia

Procedia PDF Downloads 278

Authors: Shabnam, Jagdeep Kumar

Abstract:

Because of the impact of their greater surface area and smaller quantum sizes in comparison with other metal atoms or bulk metals, metal nanoparticles, such as those formed of gold, exhibit a variety of unusual chemical and physical properties. The size- and shape-dependent properties of gold nanoparticles (GNPs) are particularly notable. Metal nanoparticles have received a lot of attention due to their unique properties and exciting prospective uses in photonics, electronics, biological sensing, and imaging. The latest developments in GNP synthesis are discussed in this review. Green chemistry measures were used to assess the production of gold nanoparticles, with a focus on Process Mass Intensity (PMI). Based on these measurements, opportunities for improving synthetic approaches were found. With PMIs that were often in the thousands, solvent usage was found to be the main obstacle for nanoparticle synthesis, even ones that were otherwise considered to be environmentally friendly. Since ligated metal nanoparticles are the most industrially relevant but least environmentally friendly, their synthesis by arrested precipitation was chosen as the best chance for significant advances. Gold nanoparticles of small sizes and bio-stability are produced biochemically, and they are used in many biological applications.

Keywords: gold, nanoparticles, green synthesis, AuNP

Procedia PDF Downloads 79

Authors: Alya A. Arabi

Abstract:

Bioisosteres are functional groups that can be interchangeably used without affecting the potency of the drug. Bioisosteres have similar pharmacological properties. Bioisosterism is useful for modifying the physicochemical properties of a drug while obeying the Lipinski’s rules. Bioisosteres are key in optimizing the pharmacokinetic and pharmacodynamics properties of a drug. Tetrazole and carboxylate anions are non-classic bioisosteres. Density functional theory was used to obtain the wavefunction of the molecules and the optimized geometries. The quantum theory of atoms in molecules (QTAIM) was used to uncover the similarity of the average electron density in tetrazole and carboxylate anions. This similarity between the bioisosteres capped by a methyl group was valid despite the fact that the groups have different volumes, charges, energies, or electron populations. The biochemical correspondence of tetrazole and carboxylic acid was also determined to be a result of the similarity of the topography of the electrostatic potential (ESP). The ESP demonstrates the pharmacological and biochemical resemblance for a matching “key-and-lock” interaction.

Keywords: bioisosteres, carboxylic acid, density functional theory, electrostatic potential, tetrazole

Procedia PDF Downloads 426

Authors: A. Didaoui, N. Benhalima, M. Elkeurti, A. Chouaih, F. Hamzaoui

Abstract:

The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G (d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G (d,p) method show good agreement with xperimental X-ray data. The polarizability and first order hyperpolarizabilty of the title molecule were calculated and interpreted. the intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 03 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that N-(2-Methylphenyl)-2-nitrobenzenesulfonamide molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, Gaussian 03, NLO, N-(2-Methylphenyl)-2-nitrobenzenesulfonamide

Procedia PDF Downloads 543

Authors: N. Khelloul, N. Benhalima, A. Chouaih, F. Hamzaoui

Abstract:

The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G (d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G (d,p) method shows good agreement with experimental X-ray data. The polarizability and first order hyperpolarizabilty of the title molecule were calculated and interpreted. The intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 09 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that 2-Chloro-N-(2-methylphenyl) benzamide 2 molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, HOMO, LUMO, NLO

Procedia PDF Downloads 334

Authors: Khumbuzile M. Ngcobo, Seraphin D. Eyono Obono

Abstract:

Science and technology has a major impact on many societal domains such as communication, medicine, food, transportation, etc. However, this dominance of modern technology can have a negative unintended impact on indigenous systems, and in particular on indigenous foods. This problem serves as a motivation to this study whose aim is to examine the perceptions of learners on the usefulness of Information and Communication Technologies (ICT's) for learning about indigenous foods. This aim will be subdivided into two types of research objectives. The design and identification of theories and models will be achieved using literature content analysis. The objective on the empirical testing of such theories and models will be achieved through the survey of Hospitality studies learners from different schools in the iLembe and Umgungundlovu Districts of the South African Kwazulu-Natal province. SPSS is used to quantitatively analyse the data collected by the questionnaire of this survey using descriptive statistics and Pearson correlations after the assessment of the validity and the reliability of the data. The main hypothesis behind this study is that there is a connection between the demographics of learners, their perceptions on the usefulness of ICTs for learning about indigenous foods and the following personality an e-learning related theories constructs: computer self-efficacy, trust in ICT systems, and conscientiousness; as suggested by existing studies on learning theories. This hypothesis was fully confirmed by the survey conducted by this study except for the demographic factors where gender and age were not found to be determinant factors of learners’ perceptions on the usefulness of ICT's for learning about indigenous foods.

Keywords: e-learning, indigenous foods, information and communication technologies, learning theories, personality

Procedia PDF Downloads 274

Authors: Alice Schittek, Isabelle Roskam, Moira Mikolajczak

Abstract:

Background: Perfectionistic strivings (PS) and perfectionistic concerns (PC) are associated with an increase in parental burnout (PB), and PB causally increases violence towards the offspring. Objective: To our best knowledge, no study has ever investigated whether perfectionism (PS and PC) predicts violence towards the offspring and whether PB could explain this link. We hypothesized that an increase in PS and PC would lead to an increase in violence via an increase in PB. Method: 228 participants responded to an online survey, with three measurement occasions spaced two months apart. Results: Contrary to expectations, cross-lagged path models revealed that violence towards the offspring prospectively predicts an increase in PS and PC. Mediation models showed that PB is not a significant mediator. The results of all models did not change when controlling for social desirability. Conclusion: The present study shows that violence towards the offspring increases the risk of PS and PC in parents, which highlights the importance of understanding the effect of child maltreatment on the whole family system and not just on children. Results are discussed in light of the feeling of guilt experienced by parents. Considering the insignificant mediation effect, PB research should slowly shift towards more (quasi) causal designs, allowing to identify which significant correlations translate into causal effects. Implications: Clinicians should focus on preventing child maltreatment as well as treating parental perfectionism. Researchers should unravel the effects of child maltreatment on the family system.

Keywords: maltreatment, parental burnout, perfectionistic strivings, perfectionistic concerns, perfectionism, violence

Procedia PDF Downloads 68

Authors: Latef M. Ali, Farah A. Abed, Zheen L. Mohammed

Abstract:

In this paper, the effect of the Barium fluoride (BaF2) layer on the absorption efficiency of GaAs/InAs nanowire solar cells was investigated using the finite difference time domain (FDTD) method. By inserting the BaF2 as antireflection with the dominant size of 10 nm to fill the space between the shells of wires on the Si (111) substrate. The absorption is significantly improved due to the strong reabsorption of light reflected at the shells and compared with the reference cells. The present simulation leads to a higher absorption efficiency (Qabs) and reaches a value of 97%, and the external quantum efficiencies (EQEs) above 92% are observed. The current density (Jsc) increases by 0.22 mA/cm2 and the open-circuit voltage (Voc) is enhanced by 0.11 mV. it explore the design and optimization of high-efficiency solar cells on low-reflective absorption efficiency of GaAs/InAs using simulation software tool. The changes in the core and shell diameters profoundly affects the generation and recombination process, thus affecting the conversion efficiency of solar cells.

Keywords: nanowire solar cells, absorption efficiency, photovoltaic, band structures, FDTD simulation

Procedia PDF Downloads 44

Authors: Gangacharyulu Dasaroju, Sumeet Sharma, Sanjay Singh

Abstract:

Heat pipe is characterised as superconductor of heat because of its excellent heat removal ability. The operation of several engineering system results in generation of heat. This may cause several overheating problems and lead to failure of the systems. To overcome this problem and to achieve desired rate of heat dissipation, there is need to study the performance of heat pipe with annular fins under free convection at different inclinations. This study demonstrates the effect of different mass flow rate of hot fluid into evaporator section on the condenser side heat transfer coefficient with annular fins under natural convection at different inclinations. In this study annular fins are used for the experimental work having dimensions of length of fin, thickness of fin and spacing of fin as 10 mm, 1 mm and 6 mm, respectively. The main aim of present study is to discover at what inclination angles the maximum heat transfer coefficient shall be achieved. The heat transfer coefficient on the external surface of heat pipe condenser section is determined by experimental method and then predicted by empirical correlations. The results obtained from experimental and Churchill and Chu relation for laminar are in fair agreement with not more than 22% deviation. It is elucidated the maximum heat transfer coefficient of 31.2 W/(m²-K) at 25˚ tilt angle and minimal condenser heat transfer coefficient of 26.4 W/(m²-K) is seen at 45˚ tilt angle and 200 ml/min mass flow rate. Inclination angle also affects the thermal performance of heat pipe. Beyond 25^o inclination, heat transport rate starts to decrease.

Keywords: heat pipe, annular fins, natural convection, condenser heat transfer coefficient, tilt angle

Procedia PDF Downloads 148

Authors: A. Ikhlef

Abstract:

Image noise in computed tomography, is mainly caused by the statistical noise, system noise reconstruction algorithm filters. Since last few years, low dose x-ray imaging became more and more desired and looked as a technical differentiating technology among CT manufacturers. In order to achieve this goal, several technologies and techniques are being investigated, including both hardware (integrated electronics and photon counting) and software (artificial intelligence and machine learning) based solutions. From a hardware point of view, electronic noise could indeed be a potential driver for low and ultra-low dose imaging. We demonstrated that the reduction or elimination of this term could lead to a reduction of dose without affecting image quality. Also, in this study, we will show that we can achieve this goal using conventional electronics (low cost and affordable technology), designed carefully and optimized for maximum detective quantum efficiency. We have conducted the tests using large imaging objects such as 30 cm water and 43 cm polyethylene phantoms. We compared the image quality with conventional imaging protocols with radiation as low as 10 mAs (<< 1 mGy). Clinical validation of such results has been performed as well.

Keywords: computed tomography, electronic noise, scintillation detector, x-ray detector

Procedia PDF Downloads 115

Authors: A. Didaoui, N. Benhalima, M. Elkeurti, A. Chouaih, F. Hamzaoui

Abstract:

The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G(d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G(d,p) method show good agreement with experimental X-ray data. The polarizability and first order hyperpolarizability of the title molecule were calculated and interpreted. The intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 03 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that N-(2-Methylphenyl)-2-nitrobenzenesulfonamide molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, Gaussian 03, NLO, N-(2-Methylphenyl)-2-nitrobenzenesulfonamide, polarizability

Procedia PDF Downloads 317

Authors: Nuo Duan, Yi Pik Cheng

Abstract:

This paper presents the data of a series of two-dimensional Discrete Element Method (DEM) simulations of a large-diameter rigid monopile subjected to cyclic loading under a high gravitational force. At present, monopile foundations are widely used to support the tall and heavy wind turbines, which are also subjected to significant from wind and wave actions. A safe design must address issues such as rotations and changes in soil stiffness subject to these loadings conditions. Design guidance on the issue is limited, so are the availability of laboratory and field test data. The interpretation of these results in sand, such as the relation between loading and displacement, relies mainly on empirical correlations to pile properties. Regarding numerical models, most data from Finite Element Method (FEM) can be found. They are not comprehensive, and most of the FEM results are sensitive to input parameters. The micro scale behaviour could change the mechanism of the soil-structure interaction. A DEM model was used in this paper to study the cyclic lateral loads behaviour. A non-dimensional framework is presented and applied to interpret the simulation results. The DEM data compares well with various set of published experimental centrifuge model test data in terms of lateral deflection. The accumulated permanent pile lateral displacements induced by the cyclic lateral loads were found to be dependent on the characteristics of the applied cyclic load, such as the extent of the loading magnitudes and directions.

Keywords: cyclic loading, DEM, numerical modelling, sands

Procedia PDF Downloads 316

Authors: Maletsema Alina Mofokeng, Nemera Shargie

Abstract:

Sorghum is one of the most important cereal crops grown as a source of calories for many people in tropics and sub-tropics of the world. Proper characterisation and evaluation of crop germplasm is an important component for effective management of genetic resources and their utilisation in the improvement of the crop through plant breeding. The objective of the study was to estimate the genetic diversity present in sorghum accessions grown in South Africa using agro-morphological traits and some nutritional contents. The experiment was carried out in Potchefstroom. Data were subjected to correlations, principal components analysis, and hierarchical clustering using GenStat statistical software. There were highly significance differences among the accessions based on agro-morphological and nutritional quality traits. Grain yield was highly positively correlated with panicle weight. Plant height was highly significantly correlated with internode length, leaf length, leaf number, stem diameter, the number of nodes and starch content. The Principal component analysis revealed three most important PCs with a total variation of 78.6%. The protein content ranged from 7.7 to 14.7%, and starch ranged from 58.52 to 80.44%. The accessions that had high protein and starch content were AS16cyc and MP4277. There was vast genetic diversity observed among the accessions assessed that can be used by plant breeders to improve yield and nutritional traits.

Keywords: accessions, genetic diversity, nutritional quality, sorghum

Procedia PDF Downloads 258