Search results for: time-dependent density functional theory

Authors: Abdelhafez Abdel Hafez

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Dependency theory was developed since 1950s, with economic concerns. It divided the world into two parts, the states of the peripheral (third world countries) and the states of the core (the developed capitalist countries). Another perspective developed to the theory with the implementation of the idea of semi-peripheral states in the new world order. With these divisions (core, peripheral, semi-peripheral) this study aims to develop a concept from the perspective of dependency theory, to understand the nature of the relationship of the U.S. with the Middle East Regions through its relation with Iran, Saudi Arabia, and Turkey. The tested countries (Saudi Arabia, Iran and Turkey) are seeking a foothold and influential role in the region. The paper argued that the U.S. directs its policies toward the region, in the way to guarantee no country of the region will be in semi-peripheral level (that could create competitions or danger on the U.S. interest). Therefore, U.S. policies in the region have varied from declaring war to diplomatic channels and sometimes ignoring. The paper is based on the dependency theory, and other international relations theories used to study the Middle East in the international context.

Keywords: dependency, hegemony, imperialism, middle east

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Authors: Chung Hyun Goh, Armin Yazdanshenas, X. Neil Dong, Yong Tai Wang

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Physical rehabilitation is a necessary step in regaining lower body function after a partial paralysis caused by a spinal cord injury or a stroke. The purpose of this paper is to present the development and optimization of a training device that accurately recreates the motions in a gait cycle with the goal of rehabilitation for individuals with incomplete spinal cord injuries or who are victims of a stroke. A functional electrical stimulator was used in conjunction with the training device to stimulate muscle groups pertaining to rehabilitative walking. The feasibility and reliability of the design are presented. To validate the design functionality, motion analyses of the knee and ankle gait paths were made using motion capture systems. Key results indicate that the robotic walking training device provides a viable mode of physical rehabilitation.

Keywords: functional electrical stimulation, rehabilitative walking, robotic walking training device, spinal cord injuries

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Authors: Qingqing Zhao, Junhong Bai

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To investigate the effects of salinity on dynamics of soil carbon and nitrogen contents and stocks, soil samples were collected at a depth of 30 cm at four sampling sites (Sites B, T, S and P) along a salinity gradient in a drained coastal wetland, the Yellow River Delta, China. The salinity of these four sites ranked in the order: B (8.68±4.25 ms/cm) > T (5.89±3.17 ms/cm) > S (3.19±1.01 ms/cm) > P (2.26±0.39 ms/cm). Soil total carbon (TC), soil organic carbon (SOC), soil microbial biomass carbon (MBC), soil total nitrogen (TC) and soil microbial biomass carbon (MBC) were measured. Based on these data, soil organic carbon density (SOCD), soil microbial biomass carbon density (MBCD), soil nitrogen density (TCD) and soil microbial biomass nitrogen density (MBND) were calculated at four sites. The results showed that the mean concentrations of TC, SOC, MBC, TN and MBN showed a general deceasing tendency with increasing salinities in the top 30 cm of soils. The values of SOCD, MBCD, TND and MBND exhibited similar tendency along the salinity gradient. As for profile distribution pattern, The C/N ratios ranged from 8.28 to 56. 51. Higher C/N ratios were found in samples with high salinity. Correlation analysis showed that the concentrations of TC, SOC and MBC at four sampling sites were significantly negatively correlated with salinity (P < 0.01 or P < 0.05), indicating that salinity could inhibit soil carbon accumulation. However, no significant relationship was observed between TN, MBN and salinity (P > 0.05).

Keywords: carbon content and stock, nitrogen content and stock, salinity, coastal wetland

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Authors: G. Espriú-Pérez, F. A. Vargas-Oviedo, I. Zenteno-Aguirrezábal, M. D. Moya-Bencomo

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One of the injuries with a higher incidence among university-level athletes in the North of Mexico is presented in the knee. This injury generates absenteeism in training and competitions for at least 8 weeks. There is no active quantitative methodology, or protocol, that directly contributes to the clinical evaluation performed by the medical personnel at the prevalence of knee injuries. The main objective is to contribute with a quantitative tool that allows further development of preventive and corrective measures to these injuries. The study analyzed 55 athletes for 6 weeks, belonging to the disciplines of basketball, volleyball, soccer and swimming. Using a motion capture system (Nexus®, Vicon®), a three-dimensional analysis was developed that allows the measurement of the range of movement of the joint. To focus on the performance of the lower limb, eleven different movements were chosen from the Functional Performance Test, Functional Movement Screen, and the Cincinnati Jump Test. The research identifies the profile of the natural movement of a healthy knee, with the use of medical guidance, and its differences between each sport. The data recovered by the single-leg crossover hop managed to differentiate the type of knee movement among athletes. A maximum difference of 60° of offset was found in the adduction movement between male and female athletes of the same discipline. The research also seeks to serve as a guideline for the implementation of protocols that help identify the recovery level of such injuries.

Keywords: Cincinnati jump test, functional movement screen, functional performance test, knee, motion capture system

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Authors: Quan Gu, Daniel Dimitrov

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BingleSeq was developed as a shiny-based, intuitive, and comprehensive application that enables the analysis of single-Cell RNA-Sequencing count data. This was achieved via incorporating three state-of-the-art software packages for each type of RNA sequencing analysis, alongside functional annotation analysis and a way to assess the overlap of differential expression method results. At its current state, the functionality implemented within BingleSeq is comparable to that of other applications, also developed with the purpose of lowering the entry requirements to RNA Sequencing analyses. BingleSeq is available on GitHub and will be submitted to R/Bioconductor.

Keywords: bioinformatics, functional annotation analysis, single-cell RNA-sequencing, transcriptomics

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Authors: Hoang Van Ngoc, Nguyen Vu Nhan, Nguyen Quang Bau

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The light-effect in cylindrical quantum wire with an infinite potential for the case of electrons, optical phonon scattering, is studied based on the quantum kinetic equation. The density of the direct current in a cylindrical quantum wire by a linearly polarized electromagnetic wave, a DC electric field, and an intense laser field is calculated. Analytic expressions for the density of the direct current are studied as a function of the frequency of the laser radiation field, the frequency of the linearly polarized electromagnetic wave, the temperature of system, and the size of quantum wire. The density of the direct current in cylindrical quantum wire with an infinite potential for the case of electrons – optical phonon scattering is nonlinearly dependent on the frequency of the linearly polarized electromagnetic wave. The analytic expressions are numerically evaluated and plotted for a specific quantum wire, GaAs/GaAsAl.

Keywords: the light–effect, cylindrical quantum wire with an infinite potential, the density of the direct current, electrons-optical phonon scattering

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Authors: Mohamed Moussaoui, Mouna Baassi, Soukayna Baammi, Hatim Soufi, Mohammed Salah, Rachid Daoud, Achraf EL Allali, Mohammed Elalaoui Belghiti, Said Belaaouad

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The present study aims to investigate the quantitative structure-activity relationship (QSAR) of a series of Thiazole derivatives reported as anticancer agents (hepatocellular carcinoma), using principally the electronic descriptors calculated by the density functional theory (DFT) method and by applying the multiple linear regression method. The developed model showed good statistical parameters (R²= 0.725, R²ₐ𝒹ⱼ= 0.653, MSE = 0.060, R²ₜₑₛₜ= 0.827, Q²𝒸ᵥ = 0.536). The energy of the highest occupied molecular orbital (EHOMO) orbital, electronic energy (TE), shape coefficient (I), number of rotatable bonds (NROT), and index of refraction (n) were revealed to be the main descriptors influencing the anti-cancer activity. Additional Thiazole derivatives were then designed and their activities and pharmacokinetic properties were predicted using the validated QSAR model. These designed molecules underwent evaluation through molecular docking (MD) and molecular dynamic (MD) simulations, with binding affinity calculated using the MMPBSA script according to a 100 ns simulation trajectory. This process aimed to study both their affinity and stability towards Cyclin-Dependent Kinase 2 (CDK2), a target protein for cancer disease treatment. The research concluded by identifying four CDK2 inhibitors - A1, A3, A5, and A6 - displaying satisfactory pharmacokinetic properties. MDs results indicated that the designed compound A5 remained stable in the active center of the CDK2 protein, suggesting its potential as an effective inhibitor for the treatment of hepatocellular carcinoma. The findings of this study could contribute significantly to the development of effective CDK2 inhibitors.

Keywords: QSAR, ADMET, Thiazole, anticancer, molecular docking, molecular dynamic simulations, MMPBSA calculation

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Authors: Ahmed Torad

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Background: Knee osteoarthritis (OA) is a prevalent musculoskeletal condition characterized by pain and functional impairment. While various rehabilitation approaches have been employed, the effectiveness of high-intensity interval training (HIIT) compared to traditional rehabilitation exercises remains unclear. Objective: This randomized controlled trial aimed to compare the effects of HIIT and traditional rehabilitation exercises on pain reduction, functional improvement, and quality of life in individuals with knee OA. Methods: A total of 120 participants diagnosed with knee OA were randomly allocated into two groups: the HIIT group (n=60) and the traditional rehabilitation group (n=60). The HIIT group participated in a 12-week supervised program consisting of high-intensity interval exercises, while the traditional rehabilitation group followed a conventional physiotherapy regimen. Outcome measures included visual analog scale (VAS) pain scores, Western Ontario and McMaster Universities Osteoarthritis Index (WOMAC), and the Short Form-36 Health Survey (SF-36) at baseline and after the intervention period. Results: Both groups showed significant improvements in pain scores, functional outcomes (WOMAC), and quality of life (SF-36) after 12 weeks of intervention. However, the HIIT group demonstrated superior pain reduction (p<0.001), functional improvement (p<0.001), and physical health-related quality of life (p=0.002) compared to the traditional rehabilitation group. No significant differences were observed in mental health-related quality of life between the two groups. Conclusion: High-intensity interval training appears to be a more effective rehabilitation approach than traditional exercises for individuals with knee osteoarthritis, resulting in greater pain reduction, improved function, and enhanced physical health-related quality of life. These findings suggest that HIIT may represent a promising intervention strategy for managing knee OA and enhancing the overall well-being of affected individuals.

Keywords: knee osteoarthritis, high-intensity interval training, traditional rehabilitation exercises, randomized controlled trial, pain reduction, functional improvement, quality of life

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Authors: L. K. Nivedha, V. Maruthapandian, R. Kothandaraman

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Rechargeable zinc-air batteries (ZAB) are gaining significant research attention owing to their high energy density and copious zinc resources worldwide. However, the unsolved obstacles such as dendrites, passivation, depth of discharge and the lack of an efficient cathode catalyst restrict their practical application1. By and large, non-noble transition metal-based catalysts are well-reputed materials for catalysing oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) with greater stability in alkaline medium2. Herein, we report the synthesis and application of Mn₃O4-NiFeLDH/Carbon composite as a cathode catalyst for rechargeable ZAB. The synergetic effects of the mixed transition metals (Mn/Ni/Fe) have aided in catalysing ORR and OER in alkaline electrolyte with a shallow potential gap of 0.7 V. The composite, by its distinctive physicochemical characteristics, shows an excellent OER activity with a current density of 1.5 mA cm⁻² at a potential of 1.6 V and a superior ORR activity with an onset potential of 0.8 V when compared with their counterparts. Nevertheless, the catalyst prefers a two-electron pathway for the electrochemical reduction of oxygen which results in a limiting current density of 2.5 mA cm⁻². The bifunctional activity of the Mn₃O₄-NiFeLDH/Carbon composite was utilized in developing rechargeable ZAB. The fully fabricated ZAB delivers an open circuit voltage of 1.4 V, a peak power density of 70 mW cm⁻², and a specific capacity of 800 mAh g⁻¹ at a current density of 20 mA cm⁻² with an average discharge voltage of 1 V and the cell is operable upto 50 mA cm-2. Rechargeable ZAB demonstrated over 110 h at 10 mA cm⁻². Further, the cause for the diminished charge-discharge performance experienced beyond the 100th cycle was investigated, and carbon corrosion was testified using Infrared spectroscopy.

Keywords: rechargeable zinc-air battery, oxygen evolution reaction, bifunctional catalyst, alkaline medium

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Authors: Gyula I. Tóth, Shaho Abdalla

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Even though numerical simulations indeed have a significant precursory/supportive role in exploring the disordered phase displaying no long-range order in pattern formation models, studying the stability properties of this phase and determining the order of the ordered-disordered phase transition in these models necessitate an analytical description of the disordered phase. First, we will present the results of a comprehensive statistical analysis of a large number (1,000-10,000) of numerical simulations in the Swift-Hohenberg model, where the bulk disordered (or amorphous) phase is stable. We will show that the average free energy density (over configurations) converges, while the variance of the energy density vanishes with increasing system size in numerical simulations, which suggest that the disordered phase is a thermodynamic phase (i.e., its properties are independent of the configuration in the macroscopic limit). Furthermore, the structural analysis of this phase in the Fourier space suggests that the phase can be modeled by a colored isotropic Gaussian noise, where any instant of the noise describes a possible configuration. Based on these results, we developed the general mathematical framework of finding a pool of solutions to partial differential equations in the sense of continuous probability measure, which we will present briefly. Applying the general idea to the Swift-Hohenberg model we show, that the amorphous phase can be found, and its properties can be determined analytically. As the general mathematical framework is not restricted to continuum theories, we hope that the proposed methodology will open a new chapter in studying disordered phases.

Keywords: fundamental theory, mathematical physics, continuum models, analytical description

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Authors: Aslı Taş, Şebnem Ertaş

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Culture consists of material and spiritual values adopted by the emerging societies during the historical and social processes and continues to exist from past to present by being transferred through generations. Culture and cultural sustainability are interdependent concepts. Cultural sustainability exists when the requirements established cultural expression are added to the social life as lifestyle and habits. However, sustainability renders change inevitable. Changes that take place in the culture of a society also shows the impact in the daily life places. Functional changes occur in the spaces in order to adapt particularly to cultural change that appear in the aftermath of the user change, to modern technology and living standards. In this context, in this study, it was aimed to investigate the effect of the time-dependent functional changes that took place in the housing where non-Muslim population who was subject to population exchange and Muslim population lived after the population exchange in the vacated housing in Sille. Therefore, the changed and newly added venues in the house belonging to Ali Oğuz in Hacı Ali Ağa Street were investigated over the generated graphic in order to clearly perceive the cultural exchange on the housing and settlement and the functional changes were demonstrated.

Keywords: culture, house, spatial changes, sustainability

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Authors: Zahid Ali Ghazi

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Supercapacitors (SCs) have emerged as auspicious energy storage devices because of their fast charge-discharge characteristics and high power densities. In the current study, a simple approach is used to coat activated carbon (AC) with a thin layer of nickel (Ni) by an electroless deposition process to enhance the electrochemical performance of the SC. The synergistic combination of large surface area and high electrical conductivity of the AC, as well as the pseudocapacitive behavior of the metallic Ni, has shown great potential to overcome the limitations of traditional SC materials. First, the materials were characterized using X-ray diffraction (XRD) for crystallography, scanning electron microscopy (SEM) for surface morphology and energy dispersion X-ray (EDX) for elemental analysis. The electrochemical performance of the nickel-coated activated carbon (Ni-AC) is systematically evaluated through various techniques, including galvanostatic charge-discharge (GCD), cyclic voltammetry (CV), and electrochemical impedance spectroscopy (EIS). The GCD results revealed that Ni/AC has a higher specific capacitance (1559 F/g) than bare AC (222 F/g) at 1 A/g current density in a 2 M KOH electrolyte. Even at a higher current density of 20 A/g, the Ni/AC showed a high capacitance of 944 F/g as compared to 77 F/g by AC. The specific capacitance (1318 F/g) calculated from CV measurements for Ni-AC at 10mV/sec was in close agreement with GCD data. Furthermore, the bare AC exhibited a low energy of 15 Wh/kg at a power density of 356 W/kg whereas, an energy density of 111 Wh/kg at a power density of 360 W/kg was achieved by Ni/AC-850 electrode and demonstrated a long life cycle with 94% capacitance retention over 50000 charge/discharge cycles at 10 A/g. In addition, the EIS study disclosed that the Rs and Rct values of Ni/AC electrodes were much lower than those of bare AC. The superior performance of Ni/AC is mainly attributed to the presence of excessive redox active sites, large electroactive surface area and corrosive resistance properties of Ni. We believe that this study will provide new insights into the controlled coating of ACs and other porous materials with metals for developing high-performance SCs and other energy storage devices.

Keywords: supercapacitor, cyclic voltammetry, coating, energy density, activated carbon

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Authors: Ahmed H. Amer, A. Amar, Sh. Hamada, I. I. Bondouk, F. A. El-Hussiny

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Elastic scattering of α-particles from 9Be and 11B nuclei at different alpha energies have been analyzed. Optical model parameters (OMPs) of α-particles elastic scattering by these nuclei at different energies have been obtained. In the present calculations, the real part of the optical potential are derived by folding of nucleon-nucleon (NN) interaction into nuclear matter density distribution of the projectile and target nuclei using computer code FRESCO. A density-dependent version of the M3Y interaction (CDM3Y6), which is based on the G-matrix elements of the Paris NN potential, has been used. Volumetric integrals of the real and imaginary potential depth (JR, JW) have been calculated and found to be energy dependent. Good agreement between the experimental data and the theoretical predictions in the whole angular range. In double folding (DF) calculations, the obtained normalization coefficient Nr is in the range 0.70–1.32.

Keywords: elastic scattering, optical model, double folding model, density distribution

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Authors: Yussif Tawfiq, Stephen Omari, Kwaku Poku Asante

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The abundance of malaria vectors is influenced by micro-ecology, rainfall, and temperature patterns. The main objective of the study was to identify mosquito larval sites for future larval surveys and possible intervention programs. The study was conducted in Kintampo in central Ghana. Twenty larval sites were surveyed. Larval density was determined per cm² of water from each of the various sites. The dipper was used to fetch larvae from the larval sites, and a global positioning system (GPS) was used to identify larvae locations. There was a negative linear relationship between humidity, temperature, pH, and mosquito larval density. GPS of larval sites was taken for easy larval identification. There was the presence of Anopheles mosquito larvae in all polluted waters with Culex larval presence. This shows that Anopheles mosquito larvae are beginning to adapt to survival in polluted waters. The identified breeding sites are going to be useful for future larval surveys and will also help in intervention programs.

Keywords: larvae, GPS, dipper, larval density

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Authors: Seyedeh Khadijeh. Mirbazel, Masoumeh Arjmandi

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Semantics is a linguistic approach and a scientific stream, and like all scientific streams, it is dynamic. The study of meaning is carried out in the broad semantic collections of words that form the discourse. In other words, meaning is not something that can be found in a word; rather, the formation of meaning is a process that takes place in a discourse as a whole. One of the contemporary semantic theories is Izutsu's Semantic Field Theory. According to this theory, the discovery of meaning depends on the function of words and takes place within the context of language. The purpose of this research is to identify the meaning of the word "Nas" in the discourse of verse 24 of Surah Al-Baqarah, which introduces "Nas" as the firewood of hell, but the translators have translated it as "people". The present research has investigated the semantic structure of the word "Nas" using the aforementioned theory through the descriptive-analytical method. In the process of investigation, by matching the semantic fields of the Quranic word "Nas", this research came to the conclusion that "Nas" implies those persons who have forgotten God and His covenant in believing in His Oneness. For this reason, God called them "Nas (the forgetful)" - the imperfect participle of the noun /næsiwoɔn/ in single trinity of Arabic language, which means “to forget”. Therefore, the intended meaning of "Nas" in the verses that have the word "Nas" is not equivalent to "People" which is a general noun.

Keywords: Nas, people, semantics, semantic field theory.

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Authors: Hellal Abdelkader, Chafaa Salah, Boudjemaa Fouzia

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A new, convenient, and high yielding procedure for the preparation of diethyl α-aminophosphonates in water via Kabachnik-Fields reaction by one-pot reaction of aromatic aldehydes, ortho-aminophenols, and dialkylphosphites in the presence of a low catalytic amount of citric, malic, tartaric, and oxalic acids as a natural, bi-functional, and highly stable catalyst is described, the obtained products were characterized by elemental analyses, molar conductance, magnetic susceptibility, FTIR, Uv-Vis spectral data, NMR-C, NMR-H, and NMR-P analyses.

Keywords: α-aminophosphonates, aminophenols, natural acids, aqueous media, Kabachnik-Fields reaction

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Authors: Gopal Chandra Saha, Sumanta Daw

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Warm-up is an essential component for optimizing performance in various sports before a physical fitness training session. This study investigated the immediate comparative effect of Self-Myofascial Release through vibration rolling (VR), non-vibration rolling (NVR), and static stretching as a part of a warm-up treatment on the functional fitness of young adults. Functional fitness is a classification of training that prepares the body for real-life movements and activities. For the present study 20male physical education students were selected as subjects. The age of the subjects was ranged from 20-25 years. The functional fitness variables undertaken in the present study were flexibility, muscle strength, agility, static and dynamic balance of the lower extremity. Each of the three warm-up protocol was administered on consecutive days, i.e. 24 hr time gap and all tests were administered in the morning. The mean and SD were used as descriptive statistics. The significance of statistical differences among the groups was measured by applying ‘F’-test, and to find out the exact location of difference, Post Hoc Test (Least Significant Difference) was applied. It was found from the study that only flexibility showed significant difference among three types of warm-up exercise. The observed result depicted that VR has more impact on myofascial release in flexibility in comparison with NVR and stretching as a part of warm-up exercise as ‘p’ value was less than 0.05. In the present study, within the three means of warm-up exercises, vibration roller showed better mean difference in terms of NVR, and static stretching exercise on functional fitness of young physical education practitioners, although the results were found insignificant in case of muscle strength, agility, static and dynamic balance of the lower extremity. These findings suggest that sports professionals and coaches may take VR into account for designing more efficient and effective pre-performance routine for long term to improve exercise performances. VR has high potential to interpret into an on-field practical application means.

Keywords: self-myofascial release, functional fitness, foam roller, physical education

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Authors: Iftikhar U. Sikder

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This paper illustrates an application of granular computing approach, namely rough set theory in data mining. The paper outlines the formalism of granular computing and elucidates the mathematical underpinning of rough set theory, which has been widely used by the data mining and the machine learning community. A real-world application is illustrated, and the classification performance is compared with other contending machine learning algorithms. The predictive performance of the rough set rule induction model shows comparative success with respect to other contending algorithms.

Keywords: concept approximation, granular computing, reducts, rough set theory, rule induction

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Authors: Tarek S. Duzan, Abdulaziz F. Ettir

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Wave velocities, Core and Log petrophysical data were collected from recently drilled four new wells scattered through-out the Dahra/Jofra (PL-5) Reservoir. The collected data were analyzed for the relationships of Wave Velocities with rock property such as Porosity, permeability and Bulk Density. Lots of Literature review reveals a number of differing results and conclusions regarding wave velocities (Compressional Waves (Vp) and Shear Waves (Vs)) versus rock petrophysical property relationships, especially in carbonate reservoirs. In this paper, we focused on the relationships between wave velocities (Vp , Vs) and the ratio Vp/Vs with rock properties for shallow marine libyan carbonate reservoir (Real Case). Upon data analysis, a relationship between petrophysical properties and wave velocities (Vp, Vs) and the ratio Vp/Vs has been found. Porosity and bulk density properties have shown exponential relationship with wave velocities, while permeability has shown a power relationship in the interested zone. It is also clear that wave velocities (Vp , Vs) seems to be a good indicator for the lithology change with true vertical depth. Therefore, it is highly recommended to use the output relationships to predict porosity, bulk density and permeability of the similar reservoir type utilizing the most recent seismic data.

Keywords: conventional core analysis (porosity, permeability bulk density) data, VS wave and P-wave velocities, shallow carbonate reservoir in D/J field

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Authors: Jovana Bogojeski, Dusan Cocic, Nenad Jankovic, Angelina Petrovic

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Kinetically-inert transition metal complexes, such as Rh(III) and Os(III) complexes, attract increasing attention as leading scaffolds for the development of potential pharmacological agents due to their inertness and stability. Therefore, we have designed and fully characterized a few novel rhodium(III) and osmium(III) complexes with a tridentate nitrogen−donor chelate system. For some complexes, the crystal X-ray structure analysis was performed. Reactivity of the newly synthesized complexes towards small biomolecules, such as L-methionine (L-Met), guanosine-5’-monophosphate (5’-GMP), and glutathione (GSH) has been examined. Also, the reactivity of these complexes towards the DNA/RNA (Ribonucleic acid) duplexes was investigated. Obtained results show that the newly synthesized complexes exhibit good affinity towards the studied ligands. Results also show that the complexes react faster with the RNA duplex than with the DNA and that in the DNA duplex reaction is faster with 15mer GG than with the 22mer GG. The UV-Vis (Ultraviolet-visible spectroscopy) is absorption spectroscopy, and the EB (Ethidium bromide) displacement studies were used to examine the interaction of these complexes with CT-DNA and BSA (Bovine serum albumin). All studied complex showed good interaction ability with both the DNA and BSA. Furthermore, the DFT (Density-functional theory) calculation and docking studies were performed. The impact of the metal complex on the cytotoxicity was tested by MTT assay (a colorimetric assay for assessing cell metabolic activity) on HCT-116 lines (human colon cancer cell line). In addition, all these tests were repeated in the presence of several water-soluble biologically active ionic liquids. Attained results indicate that the ionic liquids increase the activity of the investigated complexes. All obtained results in this study imply that the introduction of different spectator ligand can be used to improve the reactivity of rhodium(III) and osmium(III) complexes. Finally, these results indicate that the examined complexes show reactivity characteristics needed for potential anti-tumor agents, with possible targets being both the DNA and proteins. Every new contribution in this field is highly warranted due to the current lack of clinically used Metallo-based alternatives to cisplatin.

Keywords: biomolecules, ionic liquids, osmium(III), rhodium(III)

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Authors: Ezgi Nevruz, Kasirga Yildirak, Ashis SenGupta

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Comparing or ranking risks is the main motivating factor behind the human trait of making choices. Cumulative prospect theory (CPT) is a preference theory approach that evaluates perception and bias in decision making under risk and uncertainty. We aim to investigate the aggregate claims of different risk classes in terms of their comparability and amenability to ordering when the impact of risk perception is considered. For this aim, we prioritize the aggregate claims taken as actuarial risks by using various stochastic ordering relations. In order to prioritize actuarial risks, we use stochastic relations such as stochastic dominance and stop-loss dominance that are proposed in the frame of partial order theory. We take into account the dependency of the individual claims exposed to similar environmental risks. At first, we modify the zero-utility premium principle in order to obtain a solution for the stop-loss premium under CPT. Then, we propose a stochastic stop-loss dominance of the aggregate claims and find a relation between the stop-loss dominance and the first-order stochastic dominance under the dependence assumption by using properties of the familiar as well as some emerging multivariate claim distributions.

Keywords: cumulative prospect theory, partial order theory, risk perception, stochastic dominance, stop-loss dominance

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Authors: Jaan Lellep, Shahid Mubasshar

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A numerical solution is developed for simply supported nanoarches based on the non-local theory of elasticity. The nanoarch under consideration has a step-wise variable cross-section and is weakened by crack-like defects. It is assumed that the cracks are stationary and the mechanical behaviour of the nanoarch can be modeled by Eringen’s non-local theory of elasticity. The physical and thermal properties are sensitive with respect to changes of dimensions in the nano level. The classical theory of elasticity is unable to describe such changes in material properties. This is because, during the development of the classical theory of elasticity, the speculation of molecular objects was avoided. Therefore, the non-local theory of elasticity is applied to study the vibration of nanostructures and it has been accepted by many researchers. In the non-local theory of elasticity, it is assumed that the stress state of the body at a given point depends on the stress state of each point of the structure. However, within the classical theory of elasticity, the stress state of the body depends only on the given point. The system of main equations consists of equilibrium equations, geometrical relations and constitutive equations with boundary and intermediate conditions. The system of equations is solved by using the method of separation of variables. Consequently, the governing differential equations are converted into a system of algebraic equations whose solution exists if the determinant of the coefficients of the matrix vanishes. The influence of cracks and steps on the natural vibration of the nanoarches is prescribed with the aid of additional local compliance at the weakened cross-section. An algorithm to determine the eigenfrequencies of the nanoarches is developed with the help of computer software. The effects of various physical and geometrical parameters are recorded and drawn graphically.

Keywords: crack, nanoarches, natural frequency, step

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Authors: Luis Marquez, Ge Zhu, Vikas Srivastava

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High-density polyethylene (HDPE) is one of the most commonly used thermoplastic polymer materials for water and gas pipelines. Slow crack growth failure is a well-known phenomenon in high-density polyethylene material and causes brittle failure well below the yield point with no obvious sign. The failure of transportation pipelines can cause catastrophic environmental and economic consequences. Using the non-destructive testing method to predict slow crack growth failure behavior is the primary preventative measurement employed by the pipeline industry but is often costly and time-consuming. Phenomenological slow crack growth models are useful to predict the slow crack growth behavior in the polymer material due to their ability to evaluate slow crack growth under different temperature and loading conditions. We developed a quantitative method to assess the slow crack growth behavior in the high-density polyethylene pipeline material under different thermal conditions based on existing physics-based phenomenological models. We are also working on developing an experimental protocol and quantitative model that can address slow crack growth behavior under different chemical exposure conditions to improve the safety, reliability, and resilience of HDPE-based pipeline infrastructure.

Keywords: mechanics of materials, physics-based modeling, civil engineering, fracture mechanics

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Authors: Seyed Mohammad Ali Zahedi

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This field experiment was conducted in Isfahan in 2011 in order to study the effect of plant density and planting pattern on growth, yield and quality of silage corn (SC 704) using a randomized complete block design with split plot layout and four replications. The main plot consisted of three planting patterns (60 and 75 cm single planting row and 75 cm double planting row referred to as 60S, 75S and 75T, respectively). The subplots consisted of four levels of plant densities (65000, 80000, 95000 and 110000 plants per hectare). Each subplot consisted of 7 rows, each with 10m length. Vegetative and reproductive characteristics of plants at silking and hard dough stages (when the plants were harvested for silage) were evaluated. Results of variance analysis showed that the effects of planting pattern and plant density were significant on leaf area per plant, leaf area index (at silking), plant height, stem diameter, dry weights of leaf, stem and ear in silking and harvest stages and on fresh and dry yield, dry matter percentage and crude protein percentage at harvest. There was no planting pattern × plant density interaction for these parameters. As row space increased from 60 cm with single planting to 75 cm with single planting, leaf area index and plant height increased, but leaf area per plant, stem diameter, dry weight of leaf, stem and ear, dry matter percentage, dry matter yield and crude protein percentage decreased. Dry matter yield reduced from 24.9 to 18.5 t/ha and crude protein percentage decreased from 6.11 to 5.60 percent. When the plant density increased from 65000 to 110000 plant per hectare, leaf area index, plant height, dry weight of leaf, stem and ear and dry matter yield increased from 19.2 to 23.3 t/ha, whereas leaf area per plant, stem diameter, dry matter percentage and crude protein percentage decreased from 6.30 to 5.25. The best results were obtained with 60 cm row distance with single planting and 110000 plants per hectare.

Keywords: silage corn, plant density, planting pattern, yield

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Authors: Joseph Ignagni, Rebecca Deen

Abstract:

In this study, the decision making of the Justices of the United States Supreme Court will be considered in terms of constrained maximization and cognitive-cybernetic theory. This paper will integrate research in such fields as law, psychology, political science, economics and decision-making theory. It will be argued that due to its heavy workload, the Supreme Court may be forced to make decisions in a boundedly rational manner. The ideas and theory put forward here will be considered in the area of the Court’s decisions involving religion. Therefore, the cases involving the U.S. Constitution’s Free Exercise Clause and Establishment Clause will be analyzed.

Keywords: bounded rationality, cognitive-cybernetic, US supreme court, religion

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Authors: Jeff A. Tysinger, Dawn P. Tysinger

Abstract:

The aim of this paper is to theoretically apply Bowen’s understanding of triangulation and triads to school psychology intern supervision so that it can assist in the conceptualization of the dynamics of intern supervision and provide some key methods to address common issues. The school psychology internship is the capstone experience for the school psychologist in training. It involves three key participants whose relationships will determine the success of the internship.  To understand the potential effect, Bowen’s family systems theory can be applied to the supervision relationship. He describes a way to resolve stress between two people by triangulating or binging in a third person. He applies this to a nuclear family, but school psychology intern supervision requires the marriage of an intern, field supervisor, and university supervisor; thus, setting all up for possible triangulation. The consequences of triangulation can apply to standards and requirements, direct supervision, and intern evaluation. Strategies from family systems theory to decrease the negative impact of supervision triangulation.

Keywords: family systems theory, intern supervision, school psychology training, triangulation

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Authors: Noor Leha Abdul Rahman, Koay Mei Hyie, Anizah Kalam, Husna Elias, Teng Wang Dung

Abstract:

Dark Red Meranti and Kapur, kinds of important type of wood in Malaysia were used as a precursor to fabricate porous silicon carbide. A carbon template is produced by pyrolysis at 850°C in an oxygen free atmosphere. The carbon template then further subjected to infiltration with silicon by silicon melt infiltration method. The infiltration process was carried out in tube furnace in argon flow at 1500°C, at two different holding time; 2 hours and 3 hours. Thermo gravimetric analysis was done to investigate the decomposition behavior of two species of plants. The resulting silicon carbide was characterized by XRD which was found the formation of silicon carbide and also excess silicon. The microstructure was characterized by scanning electron microscope (SEM) and the density was determined by the Archimedes method. An increase in holding time during infiltration will increased the density as well as formation of silicon carbide. Dark Red Meranti precursor is likely suitable for production of silicon carbide compared to Kapur.

Keywords: density, SEM, silicon carbide, XRD

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Authors: Cheng Zeng, George Michailidis, Hitoshi Iyatomi, Leo L. Duan

Abstract:

The conditional density characterizes the distribution of a response variable y given other predictor x and plays a key role in many statistical tasks, including classification and outlier detection. Although there has been abundant work on the problem of Conditional Density Estimation (CDE) for a low-dimensional response in the presence of a high-dimensional predictor, little work has been done for a high-dimensional response such as images. The promising performance of normalizing flow (NF) neural networks in unconditional density estimation acts as a motivating starting point. In this work, the authors extend NF neural networks when external x is present. Specifically, they use the NF to parameterize a one-to-one transform between a high-dimensional y and a latent z that comprises two components [zₚ, zₙ]. The zₚ component is a low-dimensional subvector obtained from the posterior distribution of an elementary predictive model for x, such as logistic/linear regression. The zₙ component is a high-dimensional independent Gaussian vector, which explains the variations in y not or less related to x. Unlike existing CDE methods, the proposed approach coined Augmented Posterior CDE (AP-CDE) only requires a simple modification of the common normalizing flow framework while significantly improving the interpretation of the latent component since zₚ represents a supervised dimension reduction. In image analytics applications, AP-CDE shows good separation of 𝑥-related variations due to factors such as lighting condition and subject id from the other random variations. Further, the experiments show that an unconditional NF neural network based on an unsupervised model of z, such as a Gaussian mixture, fails to generate interpretable results.

Keywords: conditional density estimation, image generation, normalizing flow, supervised dimension reduction

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Authors: Simon Tsipis

Abstract:

In this study, we propose to analyze Russian foreign policy conduct by applying the theory of Political Realism and the qualitative comparative method of analysis. We find that the paradigm of Political Realism supplies us with significant insights into the sources of contemporary Russian foreign policy conduct since the power factor was and remains an integral element in Russian foreign policies, especially when we apply comparative analysis and compare it with the behavior of its Soviet predecessor. Through the lens of the Realist theory, a handful of Russian foreign policy-making becomes clearer and much more comprehensible.

Keywords: realism, Russia, cold war, Soviet Union, European security

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Authors: Elriena Eksteen, Yolandi Willemse, Dawie D. J. Malan, Suria Ellis

Abstract:

It is important to understand which competencies are needed for managerial and administrative effectiveness of school sport managers with regard to the design, delivery and direction of school sport programmes. The purpose of this study was to determine the competencies and training needs for secondary school sport managers in the North West Province. Data were gathered from 79 school sport managers in the North West Province by means of a validated self-compiled questionnaire. Descriptive statistics, factor analysis and a dependent t-test were used to compare which competencies school sport managers perceive as important in their work with the competencies they actually perform. Functional competencies and core competencies were both found to be important for managing school sport effectively. There were statistically significant differences between the perceived importance of competencies and the frequency with which competencies were actually performed. Respondents attached greater importance to functional and core competencies than the proportion of time spent actually performing them. Furthermore, results indicated the need to train teachers in managing sport finance, sport facilities and human resources, as well as presenting workshops in public relations, sport marketing and sport organisation.

Keywords: competencies, functional competencies, core competencies, school sport manager, training needs

Procedia PDF Downloads 406