Search results for: general derivative
5328 Non Interferometric Quantitative Phase Imaging of Yeast Cells
Authors: P. Praveen Kumar, P. Vimal Prabhu, Renu John
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In biology most microscopy specimens, in particular living cells are transparent. In cell imaging, it is hard to create an image of a cell which is transparent with a very small refractive index change with respect to the surrounding media. Various techniques like addition of staining and contrast agents, markers have been applied in the past for creating contrast. Many of the staining agents or markers are not applicable to live cell imaging as they are toxic. In this paper, we report theoretical and experimental results from quantitative phase imaging of yeast cells with a commercial bright field microscope. We reconstruct the phase of cells non-interferometrically based on the transport of intensity equations (TIE). This technique estimates the axial derivative from positive through-focus intensity measurements. This technique allows phase imaging using a regular microscope with white light illumination. We demonstrate nano-metric depth sensitivity in imaging live yeast cells using this technique. Experimental results will be shown in the paper demonstrating the capability of the technique in 3-D volume estimation of living cells. This real-time imaging technique would be highly promising in real-time digital pathology applications, screening of pathogens and staging of diseases like malaria as it does not need any pre-processing of samples.Keywords: axial derivative, non-interferometric imaging, quantitative phase imaging, transport of intensity equation
Procedia PDF Downloads 3835327 The Relationship between General Self-Efficacy, Perfectionism and Trait Anxiety: A Study among Gifted Students
Authors: Marialena Kostouli, Georgia Tsoulfa
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The aim of this study is to investigate the relationship between general self-efficacy, perfectionism, and gifted students’ trait anxiety. One hundred fifty three students, who were all selected and enrolled at the Center for Talented Youth (CTY) - Greece summer program, participated in the study. The sample consisted of 78 males (51%) and 75 females (49%), with a mean age of 14.96 years (SD = 1.16 years). Three self-report questionnaires were used for the purposes of the current study, the Frost Multidimensional Perfectionism scale, the State-Trait anxiety inventory and the General Self-Efficacy scale. The results revealed a significant correlation between trait anxiety, general self-efficacy and the four sub-scales of perfectionism (concern over mistakes and doubts about actions, excessive concern with parents’ expectations and evaluation, excessively high personal standards and concern with precision, order, and organization). It was also found that the female CTY students experience greater levels of trait anxiety compared to the male CTYers. Moreover, a multiple regression analysis was conducted in order to determine the possible predictors of gifted students’ trait anxiety. The analysis showed that general self-efficacy and the concern over mistakes and doubts about actions significantly predicted the trait anxiety of the gifted children that we examined. Avenues of further research and implications for the development of interventions to help gifted students promote their general self-efficacy, reduce their concern over their actions and develop strategies in order to cope with their anxiety are discussed.Keywords: general self-efficacy, gifted students, perfectionism, trait anxiety
Procedia PDF Downloads 3415326 The Effect of General Corrosion on the Guided Wave Inspection of the Pipeline
Authors: Shiuh-Kuang Yang, Sheam-Chyun Lin, Jyin-Wen Cheng, Deng-Guei Hsu
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The torsional mode of guided wave, T(0,1), has been applied to detect characteristics and defects in pipelines, especially in the cases of coated, elevated and buried pipes. The signals of minor corrosions would be covered by the noise, unfortunately, because the coated material and buried medium always induce a strong attenuation of the guided wave. Furthermore, the guided wave would be attenuated more seriously and make the signals hard to be identified when setting the array ring of the transducers on a general corrosion area of the pipe. The objective of this study is then to discuss the effects of the above-mentioned general corrosion on guided wave tests by experiments and signal processing techniques, based on the use of the finite element method, the two-dimensional Fourier transform and the continuous wavelet transform. Results show that the excitation energy would be reduced when the array ring set on the pipe surface having general corrosion. The non-uniformed contact surface also produces the unwanted asymmetric modes of the propagating guided wave. Some of them are even mixing together with T(0,1) mode and increase the difficulty of measurements, especially when a defect or local corrosion merged in the general corrosion area. It is also showed that the guided waves attenuation are increasing with the increasing corrosion depth or the rising inspection frequency. However, the coherent signals caused by the general corrosion would be decayed with increasing frequency. The results obtained from this research should be able to provide detectors to understand the impact when the array ring set on the area of general corrosion and the way to distinguish the localized corrosion which is inside the area of general corrosion.Keywords: guided wave, finite element method, two-dimensional fourier transform, wavelet transform, general corrosion, localized corrosion
Procedia PDF Downloads 4025325 The Grand Unified Theory of Everything as a Generalization to the Standard Model Called as the General Standard Model
Authors: Amir Deljoo
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The endeavor to comprehend the existence have been the center of thought for human in form of different disciplines and now basically in physics as the theory of everything. Here, after a brief review of the basic frameworks of thought, and a history of thought since ancient up to present, a logical methodology is presented based on a core axiom after which a function, a proto-field and then a coordinates are explained. Afterwards a generalization to Standard Model is proposed as General Standard Model which is believed to be the base of the Unified Theory of Everything.Keywords: general relativity, grand unified theory, quantum mechanics, standard model, theory of everything
Procedia PDF Downloads 995324 Emotional Intelligence and General Self-Efficacy as Predictors of Career Commitment of Secondary School Teachers in Nigeria
Authors: Moyosola Jude Akomolafe
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Career commitment among employees is crucial to the success of any organization. However, career commitment has been reported to be very low among teachers in the public secondary schools in Nigeria. This study, therefore, examined the contributions of emotional intelligence and general self-efficacy to career commitment of among secondary school teachers in Nigeria. Descriptive research design of correlational type was adopted for the study. It made use of stratified random sampling technique was used in selecting two hundred and fifty (250) secondary schools teachers for the study. Three standardized instruments namely: The Big Five Inventory (BFI), Emotional Intelligence Scale (EIS), General Self-Efficacy Scale (GSES) and Career Commitment Scale (CCS) were adopted for the study. Three hypotheses were tested at 0.05 level of significance. Data collected were analyzed through Multiple Regression Analysis to investigate the predicting capacity of emotional intelligence and general self-efficacy on career commitment of secondary school teachers. The results showed that the variables when taken as a whole significantly predicted career commitment among secondary school teachers. The relative contribution of each variable revealed that emotional intelligence and general self-efficacy significantly predicted career commitment among secondary school teachers in Nigeria. The researcher recommended that secondary school teachers should be exposed to emotional intelligence and self-efficacy training to enhance their career commitment.Keywords: career commitment, emotional intelligence, general self-efficacy, secondary school teachers
Procedia PDF Downloads 3875323 Design, Synthesis and Anti-Inflammatory Activity of Some Coumarin and Flavone Derivatives Containing 1,4 Dioxane Ring System
Authors: Asif Husain, Shah Alam Khan
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Coumarins and flavones are oxygen containing heterocyclic compounds which are present in various biologically active compounds. Both the heterocyclic rings are associated with diverse biological actions, therefore considered as an important scaffold for the design of molecules of pharmaceutical interest. Aim: To synthesize and evaluate the in vivo anti-inflammatory activity of few coumrain and flavone derivatives containing 1,4 dioxane ring system. Materials and methods: Coumarin derivatives (3a-d) were synthesized by reacting 7,8 dihydroxy coumarin (2a) and its 4-methyl derivative (2b) with epichlorohydrin/ethylene dibromide. The flavone derivatives (10a-d) were prepared by using quercetin and 3,4 dihydroxy flavones. Compounds of both the series were also evaluated for their anti-inflammatory, analgesic activity and ulcerogenicity in animal models by reported methods. Results and Discussion: The structures of all newly synthesized compounds were confirmed with the help of IR, 1H NMR, 13C NMR and Mass spectral studies. Elemental analyses data for each element analyzed (C, H, N) was found to be within acceptable range of ±0.4 %. Flavone derivatives, but in particular quercetin containing 1,4 dioxane ring system (10d) showed better anti-inflammatory and analgesic activity along with reduced gastrointestinal toxicity as compared to other synthesized compounds. The results of anti-inflammatory and analgesic activities of both the series are comparable with the positive control, diclofenac. Conclusion: Compound 10d, a quercetin derivative, emerged as a lead molecule which exhibited potent anti-inflammatory and analgesic activity with significant reduced gastric toxicity.Keywords: analgesic, anti-inflammatory, 1, 4 dioxane, coumarin, flavone
Procedia PDF Downloads 3275322 The Application of Active Learning to Develop Creativity in General Education
Authors: Chalermwut Wijit
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This research is conducted in order to 1) study the result of applying “Active Learning” in general education subject to develop creativity 2) explore problems and obstacles in applying Active Learning in general education subject to improve the creativity in 1780 undergraduate students who registered this subject in the first semester 2013. The research is implemented by allocating the students into several groups of 10 -15 students and assigning them to design the activities for society under the four main conditions including 1) require no financial resources 2) practical 3) can be attended by every student 4) must be accomplished within 2 weeks. The researcher evaluated the creativity prior and after the study. Ultimately, the problems and obstacles from creating activity are evaluated from the open-ended questions in the questionnaires. The study result states that overall average scores on students’ ability increased significantly in terms of creativity, analytical ability and the synthesis, the complexity of working plan and team working. It can be inferred from the outcome that active learning is one of the most efficient methods in developing creativity in general education.Keywords: creative thinking, active learning, general education, social sustainability
Procedia PDF Downloads 1835321 Noncommutative Differential Structure on Finite Groups
Authors: Ibtisam Masmali, Edwin Beggs
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In this paper, we take example of differential calculi, on the finite group A4. Then, we apply methods of non-commutative of non-commutative differential geometry to this example, and see how similar the results are to those of classical differential geometry.Keywords: differential calculi, finite group A4, Christoffel symbols, covariant derivative, torsion compatible
Procedia PDF Downloads 2485320 A Variant of Newton's Method with Free Second-Order Derivative
Authors: Young Hee Geum
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In this paper, we present the iterative method and determine the control parameters to converge cubically for solving nonlinear equations. In addition, we derive the asymptotic error constant.Keywords: asymptotic error constant, iterative method, multiple root, root-finding, order of convergent
Procedia PDF Downloads 2885319 A Survey on General Health Status of Paddy Field Workers in Mazandaran Province Using the GHQ-28 Questionnaire
Authors: Sharifirad M., Poursaeed A., Lashgarara F., Mirdamadi S. M.
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Introduction: Paddy farming has been reported as one of the most important causes of non-fatal injuries and occupational accidents among farmers. The ignorance of the health of farmers can cause harm to farmers and lead to disability. As a result, these health consequences can result in less exploitation and economic growth in households. Therefore, this study aimed to determine the general health status of paddy field workers in Mazandaran province, Iran. Materials & Methods: This cross-sectional descriptive study evaluated 384 paddy farmers in Mazandaran province, Iran, who were selected using stratified random sampling. The required data were collected using the standard questionnaire of GHQ-28 with four domains of somaticsymptoms, anxiety and insomnia, social dysfunction, and symptoms of depression. The obtained data were then analyzed using SPSS software (version 25) through Spearman, Kendall, Mann-Whitney, and Kruskal-Wallis tests. Findings: The highest number of participants in this study was in the age group of 50-59 years, with a mean age of 46.9 years. According to the results, the total general health score was obtained at 64.3% for the subjects. Moreover, the scores of four areas of general health were determined at 91.1% (depression symptoms), 73.4% (social dysfunction), 48.7% (anxiety symptoms and insomnia), and 47.1% (somatic symptoms) in descending order. Discussions& Conclusions: The general health of the studied population was not in a good range. In addition, the most observed disorder in the general health of paddy farmers was related to the symptoms of depression, followed by somatic symptoms.Keywords: general-health, mazandaran, paddyfield
Procedia PDF Downloads 1695318 Neural Network Supervisory Proportional-Integral-Derivative Control of the Pressurized Water Reactor Core Power Load Following Operation
Authors: Derjew Ayele Ejigu, Houde Song, Xiaojing Liu
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This work presents the particle swarm optimization trained neural network (PSO-NN) supervisory proportional integral derivative (PID) control method to monitor the pressurized water reactor (PWR) core power for safe operation. The proposed control approach is implemented on the transfer function of the PWR core, which is computed from the state-space model. The PWR core state-space model is designed from the neutronics, thermal-hydraulics, and reactivity models using perturbation around the equilibrium value. The proposed control approach computes the control rod speed to maneuver the core power to track the reference in a closed-loop scheme. The particle swarm optimization (PSO) algorithm is used to train the neural network (NN) and to tune the PID simultaneously. The controller performance is examined using integral absolute error, integral time absolute error, integral square error, and integral time square error functions, and the stability of the system is analyzed by using the Bode diagram. The simulation results indicated that the controller shows satisfactory performance to control and track the load power effectively and smoothly as compared to the PSO-PID control technique. This study will give benefit to design a supervisory controller for nuclear engineering research fields for control application.Keywords: machine learning, neural network, pressurized water reactor, supervisory controller
Procedia PDF Downloads 1535317 Households’ Willingness to Pay for Environmental and General Health Safety during the Advent of Ebola Virus Diseases in Nigeria
Authors: Shittu Bisi Agnes
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Studies on households’ willingness to pay for environmental and general health safety in the advent of Ebola virus Diseases in Nigeria was carried out. This is aimed at revealing the means by which the virus was eventually eradicated in Nigeria as widely claimed in the media. This study therefore attempted to determine the environmental and general health condition in the State Of Osun, how socio-economic characteristics of the people affected willingness to pay. And also provide platform for the reduction of environmental and general health problems. Data were collected with the aid of well-structured questionnaire and administer 150 randomly selected people of study area, and oral interview was also utilized. Data collected were analyzed using both descriptive tools and inferential statistics vis-a-viz regression analysis. Findings showed 92.5% of respondents was aware of ebola virus diseases outbreak in Nigeria, 8.5% was unaware of any disease outbreak. And 65.7% of respondents was strongly willing to pay for environmental and general health safety 27.1% was fairly willing, 5.7% was indifferent and 1.7% was unwilling to pay. 5% rated the level of environmental and general health condition in the area has been good, 53.6% rated theirs has been fair, 33.6% as been poor. The average willingness to pay per household per month were #500.00, #250.00, #150.00 and #100.00 respectively for the four categories. It was recommended that policy instruments to increase peoples' income will accelerate eradication of environmental and general health problems, environmental health education in form of talk shop, workshop, lectures and seminars could be organized at the political ward levels, churches, mosque, and at schools. Environmental and general health safety related information could be disseminated through mass media, market women, and functional unions.Keywords: ebola virus diseases (EVD), socio-economic, safety, pay, Osun
Procedia PDF Downloads 4115316 Inhibitory Effect of P2Y1R Agonist 1-Indolinoalkyl 2-Phenolic Derivative on Prostate Cancer Cell Proliferation via the MAPK Signalling
Authors: Hien Thi Thu Le, Nuno Rafael Candeias, Olli Yli-Harja, Meenakshisundaram Kandhavelu
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Purinergic receptor 1 (P2Y1R) is the potential therapeutic target for inducing prostate cancer (PCa) cell death. Recently, 1-indolinoalkyl 2-phenolic derivative, HIC, was identified as a P2Y1R agonist that increases apoptosis and inhibits cell proliferation of PCa. However, the biological effects of HIC have not been extensively studied at the molecular level. In the present study, we have investigated the anticancer effects of HIC and the molecular mechanisms underlying in PCa cells. Half maximal inhibitory concentration (IC₅₀) of HIC was measured as 15.98 μM and 15.64 μM for DU145 and PC3 cells, respectively. In addition, we found that HIC inhibited cell growth and metastasis of PC3 and DU145 cells colonies, spheroid areas, and migrated cells. RNA seq analysis revealed significant changes of over 3000 genes (p value < 0.05) upon HIC treatment in PC3 and DU145 cells. Genes involved in DNA damage, apoptosis, cell cycle arrest at G1/S phase were modulated by HIC treatment. MAPK and NF-κB protein array revealed the increased expression of ERK1/2, JNK1/2, p53 phosphorylation, and p53 protein. ERK1/2 and JNK1/2 activations are known to increase the stabilization of p53, a tumor suppressor protein, which is required to arrest the cell cycle at G1/S phase and cause cell death of PCa cells. Overall, our results suggest that HIC can serve as a multi-dimensional chemotherapeutic agent possessing strong cytotoxic, anti-cancer, and anti-metastasis against PCa growth.Keywords: prostate cancer, P2Y1 receptor, apoptosis, metastasis
Procedia PDF Downloads 1315315 Qualitative Data Summary of Piloted Observation Instrument for Designing Adaptations in Inclusive Settings
Authors: Rebecca Lynn
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The successful inclusion of students with disabilities depends upon many factors, including the collaboration between general and special education teachers for meeting student learning goals as outlined in the Individualized Education Plan (IEP). However, Individualized Education Plans do not provide sufficient information on accommodations and modifications for the variety of general education contexts and content areas in which a student may participate. In addition, general and special education teachers lack observation skills and tools for gathering essential information about the strengths and needs of students with disabilities in relation to general education instruction and classrooms. More research and tools are needed for planning adaptations that increase access to content in general education classrooms. This paper will discuss the outcomes of a qualitative field-based study of a structured observation instrument used for gathering information on student strengths and needs in relation to social, academic and regulatory expectations during instruction in general education classrooms. The study explores the following questions: To what extent does the observation structure and instrument increase collaborative planning of adaptations in general education classrooms for students with disabilities? To what extent does the observation structure and instrument change pedagogical practices and collaboration in general education classrooms for fostering successful inclusion? A hypothesis of this study was that use of the instrument in the context of lessons and in collaborative debriefing would increase awareness and use of meaningful adaptations, and lead to universal design in the planning of instruction. A finding of the study is a shift from viewing students with disabilities as passive participants to a more pedagogical inclusion as teachers developed skills in observation and created content/context-specific adaptations for students with disabilities in the general education classroom.Keywords: adaptations, collaboration, inclusion, observations
Procedia PDF Downloads 1275314 Solution of Singularly Perturbed Differential Difference Equations Using Liouville Green Transformation
Authors: Y. N. Reddy
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The class of differential-difference equations which have characteristics of both classes, i.e., delay/advance and singularly perturbed behaviour is known as singularly perturbed differential-difference equations. The expression ‘positive shift’ and ‘negative shift’ are also used for ‘advance’ and ‘delay’ respectively. In general, an ordinary differential equation in which the highest order derivative is multiplied by a small positive parameter and containing at least one delay/advance is known as singularly perturbed differential-difference equation. Singularly perturbed differential-difference equations arise in the modelling of various practical phenomena in bioscience, engineering, control theory, specifically in variational problems, in describing the human pupil-light reflex, in a variety of models for physiological processes or diseases and first exit time problems in the modelling of the determination of expected time for the generation of action potential in nerve cells by random synaptic inputs in dendrites. In this paper, we envisage the use of Liouville Green Transformation to find the solution of singularly perturbed differential difference equations. First, using Taylor series, the given singularly perturbed differential difference equation is approximated by an asymptotically equivalent singularly perturbation problem. Then the Liouville Green Transformation is applied to get the solution. Several model examples are solved, and the results are compared with other methods. It is observed that the present method gives better approximate solutions.Keywords: difference equations, differential equations, singular perturbations, boundary layer
Procedia PDF Downloads 1985313 Multiple Positive Solutions for Boundary Value Problem of Nonlinear Fractional Differential Equation
Authors: A. Guezane-Lakoud, S. Bensebaa
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In this paper, we study a boundary value problem of nonlinear fractional differential equation. Existence and positivity results of solutions are obtained.Keywords: positive solution, fractional caputo derivative, Banach contraction principle, Avery and Peterson fixed point theorem
Procedia PDF Downloads 4135312 Exploring Counting Methods for the Vertices of Certain Polyhedra with Uncertainties
Authors: Sammani Danwawu Abdullahi
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Vertex Enumeration Algorithms explore the methods and procedures of generating the vertices of general polyhedra formed by system of equations or inequalities. These problems of enumerating the extreme points (vertices) of general polyhedra are shown to be NP-Hard. This lead to exploring how to count the vertices of general polyhedra without listing them. This is also shown to be #P-Complete. Some fully polynomial randomized approximation schemes (fpras) of counting the vertices of some special classes of polyhedra associated with Down-Sets, Independent Sets, 2-Knapsack problems and 2 x n transportation problems are presented together with some discovered open problems.Keywords: counting with uncertainties, mathematical programming, optimization, vertex enumeration
Procedia PDF Downloads 3565311 Meaningful General Education Reform: Integrating Core Curricula and Institutional Values
Authors: Michael W. Markowitz
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A central element of higher education today is the “core” or “general education” curriculum: that configuration of courses that often encompasses the essence of liberal arts education. Ensuring that such offerings reflect the mission and values of the institution is a challenge faced by most college and universities, often more than once. This paper presents an action model of program planning designed to structure the processes of developing, implementing and revising core curricula in a manner consistent with key institutional goals and objectives. Through presentation of a case study from a university in the United States, the elements of needs assessment, stakeholder investment and collaborative compromise are shown as key components of a planning strategy that can produce a general education program that is comprehensive, academically rigorous, assessable and mission consistent. The paper concludes with recommendations for both the implementation and evaluation of such programs in practice.Keywords: academic assessment, academic program planning, curriculum development, general education reform
Procedia PDF Downloads 3195310 An Analytical Method for Solving General Riccati Equation
Authors: Y. Pala, M. O. Ertas
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In this paper, the general Riccati equation is analytically solved by a new transformation. By the method developed, looking at the transformed equation, whether or not an explicit solution can be obtained is readily determined. Since the present method does not require a proper solution for the general solution, it is especially suitable for equations whose proper solutions cannot be seen at first glance. Since the transformed second order linear equation obtained by the present transformation has the simplest form that it can have, it is immediately seen whether or not the original equation can be solved analytically. The present method is exemplified by several examples.Keywords: Riccati equation, analytical solution, proper solution, nonlinear
Procedia PDF Downloads 3535309 Urgency of Islamic Economic System Implementation in Indonesian Banking
Authors: Muhammad Rifqi Hafizhudin Arif, Mukhamad Zulfal Faradis, Ahmad Hidayatullah
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Indonesia is the country that uses conventional financial system adopted from European countries as a form of finance in the national banking system. Many of the derivative products of conventional banks either investment, buy and sell, saving and loan, which is not in accordance with Islamic Ethics. While the majority population in Indonesia are belief in Islam, which Islam has had financial management guide is written in the Quran, the Hadith, as well as the opinions of experts who strongly prohibits the use of interest in each transaction activities. Many different expert opinions on the application of the Islamic financial system in Indonesia. However, as the majority of the population of Indonesia, Islamic community have not been able to get the opportunities to choose the Islamic financial system that has mutual benefit between consumers and banks, particularly fairness in transactions, ethical investment, uphold the values of solidarity and brotherhood in every transaction activities, and avoid speculation. In this paper, we will discuss the reasons for the importance of providing an option for Islamic community as the majority of the population of Indonesia to use the banking system which adopted the Islamic ethical values that have been much discussed by other researchers in various countries. The existence of this research is expected to Government, academia and the general public aware of the urgency of Islamic economic system implementation in Indonesian banking as the solution and justice especially for the Islamic community to use the values which they held.Keywords: Islamic economic system, conventional system, Islamic value, banking
Procedia PDF Downloads 3635308 Synthesis of New 2-(Methylthio) Benzo[g]-[1,2,4] Triazolo [1,5a] Quinazolines
Authors: Rashad A. Al-Salahi, Mohamed S. Marzouk
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Aiming to the synthesis of bioactive triazoloquinazolines, a new series of 2-(methylthio)benzo [g]-[1,2,4] triazolo [1,5-a] quinazolin-5(4H)-ones was synthesized from 2-(methylthio)benzo [g]-[1,2,4] triazolo [1,5-a] quinazolin-5(4H)-one. All synthesized derivatives based on N-alkylation and chlorination of the parent compound and its salfonyl derivative. The success of the reactions was proved by NMR, IR, and HREI-MS analyses for all products.Keywords: triazoloquinazoline, alkylation, thionation, quinazolin
Procedia PDF Downloads 3575307 General Framework for Price Regulation of Container Terminals
Authors: Murat Yildiz, Burcu Yildiz
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Price Cap Regulation is a form of economic regulation designed in the 1980s in the United Kingdom. Price cap regulation sets a cap on the price that the utility provider can charge. The cap is set according to several economic factors, such as the price cap index, expected efficiency savings and inflation. It has been used by several countries as a regulatory regime in several sectors. Container port privatization is still in early stages in some countries. Lack of a general framework can be an impediment to privatization. This paper aims a general framework to comprising decisions to be made for variables which are able to accommodate the variety of container terminals. Several approaches that may be needed as well as a passage between approaches.Keywords: Price Cap Regulation, ports privatization, container terminal price regime, earning sharing
Procedia PDF Downloads 3585306 Exploring 1,2,4-Triazine-3(2H)-One Derivatives as Anticancer Agents for Breast Cancer: A QSAR, Molecular Docking, ADMET, and Molecular Dynamics
Authors: Said Belaaouad
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This study aimed to explore the quantitative structure-activity relationship (QSAR) of 1,2,4-Triazine-3(2H)-one derivative as a potential anticancer agent against breast cancer. The electronic descriptors were obtained using the Density Functional Theory (DFT) method, and a multiple linear regression techniques was employed to construct the QSAR model. The model exhibited favorable statistical parameters, including R2=0.849, R2adj=0.656, MSE=0.056, R2test=0.710, and Q2cv=0.542, indicating its reliability. Among the descriptors analyzed, absolute electronegativity (χ), total energy (TE), number of hydrogen bond donors (NHD), water solubility (LogS), and shape coefficient (I) were identified as influential factors. Furthermore, leveraging the validated QSAR model, new derivatives of 1,2,4-Triazine-3(2H)-one were designed, and their activity and pharmacokinetic properties were estimated. Subsequently, molecular docking (MD) and molecular dynamics (MD) simulations were employed to assess the binding affinity of the designed molecules. The Tubulin colchicine binding site, which plays a crucial role in cancer treatment, was chosen as the target protein. Through the simulation trajectory spanning 100 ns, the binding affinity was calculated using the MMPBSA script. As a result, fourteen novel Tubulin-colchicine inhibitors with promising pharmacokinetic characteristics were identified. Overall, this study provides valuable insights into the QSAR of 1,2,4-Triazine-3(2H)-one derivative as potential anticancer agent, along with the design of new compounds and their assessment through molecular docking and dynamics simulations targeting the Tubulin-colchicine binding site.Keywords: QSAR, molecular docking, ADMET, 1, 2, 4-triazin-3(2H)-ones, breast cancer, anticancer, molecular dynamic simulations, MMPBSA calculation
Procedia PDF Downloads 955305 C-Coordinated Chitosan Metal Complexes: Design, Synthesis and Antifungal Properties
Authors: Weixiang Liu, Yukun Qin, Song Liu, Pengcheng Li
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Plant diseases can cause the death of crops with great economic losses. Particularly, those diseases are usually caused by pathogenic fungi. Metal fungicides are a type of pesticide that has advantages of a low-cost, broad antimicrobial spectrum and strong sterilization effect. However, the frequent and wide application of traditional metal fungicides has caused serious problems such as environmental pollution, the outbreak of mites and phytotoxicity. Therefore, it is critically necessary to discover new organic metal fungicides alternatives that have a low metal content, low toxicity, and little influence on mites. Chitosan, the second most abundant natural polysaccharide next to cellulose, was proved to have broad-spectrum antifungal activity against a variety of fungi. However, the use of chitosan was limited due to its poor solubility and weaker antifungal activity compared with commercial fungicide. Therefore, in order to improve the water solubility and antifungal activity, many researchers grafted the active groups onto chitosan. The present work was to combine free metal ions with chitosan, to prepare more potent antifungal chitosan derivatives, thus, based on condensation reaction, chitosan derivative bearing amino pyridine group was prepared and subsequently followed by coordination with cupric ions, zinc ions and nickel ions to synthesize chitosan metal complexes. The calculations by density functional theory (DFT) show that the copper ions and nickel ions underwent dsp2 hybridization, the zinc ions underwent sp3 hybridization, and all of them are coordinated by the carbon atom in the p-π conjugate group and the oxygen atoms in the acetate ion. The antifungal properties of chitosan metal complexes against Phytophthora capsici (P. capsici), Gibberella zeae (G. zeae), Fusarium oxysporum (F. oxysporum) and Botrytis cinerea (B. cinerea) were also assayed. In addition, a plant toxicity experiment was carried out. The experiments indicated that the derivatives have significantly enhanced antifungal activity after metal ions complexation compared with the original chitosan. It was shown that 0.20 mg/mL of O-CSPX-Cu can 100% inhibit the growth of P. capsici and 0.20 mg/mL of O-CSPX-Ni can 87.5% inhibit the growth of B. cinerea. In general, their activities are better than the positive control oligosaccharides. The combination of the pyridine formyl groups seems to favor biological activity. Additionally, the ligand fashion was precisely analyzed, and the results revealed that the copper ions and nickel ions underwent dsp2 hybridization, the zinc ions underwent sp3 hybridization, and the carbon atoms of the p-π conjugate group and the oxygen atoms of acetate ion are involved in the coordination of metal ions. The phytotoxicity assay of O-CSPX-M was also conducted, unlike the traditional metal fungicides, the metal complexes were not significantly toxic to the leaves of wheat. O-CSPX-Zn can even increase chlorophyll content in wheat leaves at 0.40 mg/mL. This is mainly because chitosan itself promotes plant growth and counteracts the phytotoxicity of metal ions. The chitosan derivative described here may lend themselves to future applicative studies in crop protection.Keywords: coordination, chitosan, metal complex, antifungal properties
Procedia PDF Downloads 3155304 Origins of Strict Liability for Abnormally Dangerous Activities in the United States, Rylands v. Fletcher and a General Clause of Strict Liability in the UK
Authors: Maria Lubomira Kubica
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The paper reveals the birth and evolution of the British precedent Rylands v. Fletcher that, once adopted on the other side of the Ocean (in United States), gave rise to a general clause of liability for abnormally dangerous activities recognized by the §20 of the American Restatements of the Law Third, Liability for Physical and Emotional Harm. The main goal of the paper was to analyze the development of the legal doctrine and of the case law posterior to the precedent together with the intent of the British judicature to leapfrog from the traditional rule contained in Rylands v. Fletcher to a general clause similar to that introduced in the United States and recently also on the European level. As it is well known, within the scope of tort law two different initiatives compete with the aim of harmonizing the European laws: European Group on Tort Law with its Principles of European Tort Law (hereinafter PETL) in which article 5:101 sets forth a general clause for strict liability for abnormally dangerous activities and Study Group on European Civil Code with its Common Frame of Reference (CFR) which promotes rather ad hoc model of listing out determined cases of strict liability. Very narrow application scope of the art. 5:101 PETL, restricted only to abnormally dangerous activities, stays in opposition to very broad spectrum of strict liability cases governed by the CFR. The former is a perfect example of a general clause that offers a minimum and basic standard, possibly acceptable also in those countries in which, like in the United Kingdom, this regime of liability is completely marginalized.Keywords: Rylands v. Fletcher, strict liability, dangerous activities, general clause
Procedia PDF Downloads 3195303 Legal Doctrine on Rylands v. Fletcher: One more time on Feasibility of a General Clause of Strict Liability in the UK
Authors: Maria Lubomira Kubica
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The paper reveals the birth and evolution of the British precedent Rylands v. Fletcher that, once adopted on the other side of the Ocean (in United States), gave rise to a general clause of liability for abnormally dangerous activities recognized by the §20 of the American Restatements of the Law Third, Liability for Physical and Emotional Harm. The main goal of the paper was to analyze the development of the legal doctrine and of the case law posterior to the precedent together with the intent of the British judicature to leapfrog from the traditional rule contained in Rylands v. Fletcher to a general clause similar to that introduced in the United States and recently also on the European level. As it is well known, within the scope of tort law two different initiatives compete with the aim of harmonizing the European laws: European Group on Tort Law with its Principles of European Tort Law (hereinafter PETL) in which article 5:101 sets forth a general clause for strict liability for abnormally dangerous activities and Study Group on European Civil Code with its Common Frame of Reference (CFR) which promotes rather ad hoc model of listing out determined cases of strict liability. Very narrow application scope of the art. 5:101 PETL, restricted only to abnormally dangerous activities, stays in opposition to very broad spectrum of strict liability cases governed by the CFR. The former is a perfect example of a general clause that offers a minimum and basic standard, possibly acceptable also in those countries in which, like in the United Kingdom, this regime of liability is completely marginalized.Keywords: abnormally dangerous activities, general clause, Rylands v. Fletcher, strict liability
Procedia PDF Downloads 2005302 Hydrodeoxygenation of Furfural over RU Sub-Nano Particles Supported on Al₂O₃-SIO₂ Mixed Oxides
Authors: Chaima Zoulikha Tabet Zatla, Nihel Dib, Sumeya Bedrane, Juan Carlos Hernandez Garrido, Redouane Bachir, Miguel Angel Cauqui, Jose Juan Calvino Gamez
Abstract:
These last year's our planet has witnessed global warming, which is a serious threat to our lives; it has many causes, such as the CO₂ excess in the atmosphere that results from our activity, for the purpose of living in a neater and better environment, working and improving an eco-responsible energy system is a must. Valorization of biomass to produce biofuels is among the most compelling routes to decrease air pollution without considerable modification in current vehicle technology. Effective transformation of lignocellulosic biomass-derived compounds into liquid fuels and value-added chemicals is an economically viable solution. Presently, very competitive technics for the conversion of lignocellulosic biomass into platform chemicals, such as furfural and Hydroxymethylfurfural (HMF), are used. Furfural (C₅H₄O₂) is a major hemi cellulosic biomass-derived platform molecule. In our work, we focus on the valorization of lignocellulosic biomass derivative furfural that is transformed into biofuel through a hydrodeoxygenation reaction in general and involving a catalytic process. In order to get to this point, we are synthesizing and characterizing a series of catalysts with different amounts of Ru (0.5%, 1% and 2%) supported on alumina-silica mixed oxides with various molar ratios (Si/Al = 2.5; 5; 7; 10; 15). These catalysts will be characterized by numerous technics such as N₂ adsorption/desorption, Pyridine adsorption (acidity measure), FTIR, X-rays diffraction, AAS, TEM and SEM.Keywords: furfural, ruthenium, silica-alumina, biomass, biofuel
Procedia PDF Downloads 835301 Research on Comfort Degree Design and Practical Design of Wearing Type Headphones
Authors: Kuan-Wu Lin, Tsu-Wu Hu
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In recent years, product design has already begun to comfort and humanize, and for different user needs to design products, In particular, closer relationship with the people of the products, Such as headphones and other consumer electronics products. In this study, will for general comfort design principles and field survey results through the use of a headset, including adolescents, young and middle-aged groups such as three users, Further identify the general design principles belong to the headset comfortable design. The study results will include the significance of headphones design and differences between product design principles, Provide the basis for future product design.Keywords: wearing type headphones , comfort degree design, general design principles, product design
Procedia PDF Downloads 3265300 Motion Planning and Posture Control of the General 3-Trailer System
Authors: K. Raghuwaiya, B. Sharma, J. Vanualailai
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This paper presents a set of artificial potential field functions that improves upon; in general, the motion planning and posture control, with theoretically guaranteed point and posture stabilities, convergence and collision avoidance properties of the general 3-trailer system in a priori known environment. We basically design and inject two new concepts; ghost walls and the distance optimization technique (DOT) to strengthen point and posture stabilities, in the sense of Lyapunov, of our dynamical model. This new combination of techniques emerges as a convenient mechanism for obtaining feasible orientations at the target positions with an overall reduction in the complexity of the navigation laws. Simulations are provided to demonstrate the effectiveness of the controls laws.Keywords: artificial potential fields, 3-trailer systems, motion planning, posture
Procedia PDF Downloads 4245299 Enhance Construction Visual As-Built Schedule Management Using BIM Technology
Authors: Shu-Hui Jan, Hui-Ping Tserng, Shih-Ping Ho
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Construction project control attempts to obtain real-time as-built schedule information and to eliminate project delays by effectively enhancing dynamic schedule control and management. Suitable platforms for enhancing an as-built schedule visually during the construction phase are necessary and important for general contractors. As the application of building information modeling (BIM) becomes more common, schedule management integrated with the BIM approach becomes essential to enhance visual construction management implementation for the general contractor during the construction phase. To enhance visualization of the updated as-built schedule for the general contractor, this study presents a novel system called the Construction BIM-assisted Schedule Management (ConBIM-SM) system for general contractors in
Keywords: building information modeling (BIM), construction schedule management, as-built schedule management, BIM schedule updating mechanism
Procedia PDF Downloads 374