Search results for: B3LYP level
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 12712

Search results for: B3LYP level

12652 The Study of Public Consciousness of Undergraduate Students, Suan Sunandha Rajabhat University

Authors: Nantida Otakum

Abstract:

The purpose of the study is to study the level of public consciousness of Suan Sunandha Rajabhat University undergraduate students. This study also compares differences in the level of public consciousness among undergraduate students who are different in sex and year of study. The research methodology employed a questionnaire as a quantitative method. The respondents were undergraduate students at Suan Sunandha Rajabhat University. Totally, 400 usable questionnaires were received. Descriptive and inferential statistics were used in data analysis. The results showed that the level of public consciousness of undergraduate students was at a good level in all aspects. The aspect of social participation was at the highest level, while the aspect of shared vision was at the lowest level. The results also indicated that undergraduate students with differences in sex and year of study were not significantly different in public consciousness level.

Keywords: participation, public consciousness, Suan Sunandha Rajabhat University, undergraduate students

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12651 Physicochemical Investigation of Caffeic Acid and Caffeinates with Chosen Metals (Na, Mg, Al, Fe, Ru, Os)

Authors: Włodzimierz Lewandowski, Renata Świsłocka, Aleksandra Golonko, Grzegorz Świderski, Monika Kalinowska

Abstract:

Caffeic acid (3,4-dihydroxycinnamic) is distributed in a free form or as ester conjugates in many fruits, vegetables and seasonings including plants used for medical purpose. Caffeic acid is present in propolis – a substance with exceptional healing properties used in natural medicine since ancient times. The antioxidant, antibacterial, antiinflammatory and anticarcinogenic properties of caffeic acid are widely described in the literature. The biological activity of chemical compounds can be modified by the synthesis of their derivatives or metal complexes. The structure of the compounds determines their biological properties. This work is a continuation of the broader topic concerning the investigation of the correlation between the electronic charge distribution and biological (anticancer and antioxidant) activity of the chosen phenolic acids and their metal complexes. In the framework of this study the synthesis of new metal complexes of sodium, magnesium, aluminium, iron (III) ruthenium (III) and osmium (III) with caffeic acid was performed. The spectroscopic properties of these compounds were studied by means of FT-IR, FT-Raman, UV-Vis, ¹H and ¹³C NMR. The quantum-chemical calculations (at B3LYP/LAN L2DZ level) of caffeic acid and selected complexes were done. Moreover the antioxidant properties of synthesized complexes were studied in relation to selected stable radicals (method of reduction of DPPH and method of reduction of ABTS). On the basis of the differences in the number, intensity and locations of the bands from the IR, Raman, UV/Vis and NMR spectra of caffeic acid and its metal complexes the effect of metal cations on the electronic system of ligand was discussed. The geometry, theoretical spectra and electronic charge distribution were calculated by the use of Gaussian 09 programme. The geometric aromaticity indices (Aj – normalized function of the variance in bond lengths; BAC - bond alternation coefficient; HOMA – harmonic oscillator model of aromaticity and I₆ – Bird’s index) were calculated and the changes in the aromaticity of caffeic acid and its complexes was discussed. This work was financially supported by National Science Centre, Poland, under the research project number 2014/13/B/NZ7/02-352.

Keywords: antioxidant properties, caffeic acid, metal complexes, spectroscopic methods

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12650 Phase Control in Population Inversion Using Chirped Laser

Authors: Avijit Datta

Abstract:

We have presented a phase control scheme in population transfer using chirped laser fields. A chirped pulse can do population transfer from one level to another level via adiabatic rapid passage accessible by one photon dipole transition. We propose to use a pair of phase-locked chirped pulses of the same frequency w(t) instead of a singly chirped-pulse frequency w(t). Simultaneous action of phase controlled interference in addition to rapid adiabatic passages due to chirped pulses lead to phase control over this population transfer dynamics. We have demonstrated the proposed phase control scheme over the population distribution from the initial level X(v=0,j=0) to C(v=2,j=1) level of hydrogen molecule using a pair of phase-locked and similarly chirped laser pulses. We have extended this two-level system to three-level 1+1 ladder system of hydrogen molecule from X level to final J(v=2,j=2) level via C intermediate level using two pairs of laser pulses having frequencies w(t) and w'(t) respectively and obtained laudable control over the population distribution among three levels. We also have presented some results of interference effects of w₁(t) and its third harmonics w₃(t).

Keywords: phase control, population transfer, chirped laser pulses, rapid adiabatic passage, laser-molecule interaction

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12649 The Comparison of of Stress Level between Students with Parents and Those without Parents

Authors: Hendeh Majdi, Zahra Arzjani

Abstract:

This research aimed at the comparison of level of stress between students had parents and those without parents by descriptive-analytical study. To do research number of 128 questionnaires (64 students with parents and 64 students without parents) were distributed among high school in Ray city, Tehran province through classified sampling. The results showed that level of stress in stud tent without parents has been effective and the most important proposal is that necessity study should be considered in decreasing level of stress in students without parent.

Keywords: stress, students with parents, without parents, Ray city

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12648 The Study of the Awareness of Sexual Risk Bahaviors and Sexual Risk Behaviors of Adolescents Students

Authors: Sumitta Sawangtook, Parichart Thano

Abstract:

The purposes of research were to study the relationship between the awareness of sexual risk behaviors and sexual risk behaviors of adolescent students, and to compare the sexual risk behaviors of adolescent students by gender, education level, sweetheart’s number, achievement, sexual value, and the influence of the friendship group. The research sample of 344 sevenths through twelfth grade students in secondary school for the academic year 2014, Dindang district Bangkok was selected by simple random sampling. The research instruments are: 1) demographic questionnaire 2) evaluation form of the awareness of sexual risk behaviors 3) questionnaire about sexual value 4) questionnaire about the influence of the friendship group and 5) evaluation form of sexual risk behaviors. They were used for data collections which are subsequently analyzed by percentage, mean, standard deviation, t-test, One-way Analysis of Variances. The results of this study were presented as follow: 1) The awareness of sexual risk behaviors was negatively correlated with sexual risk behaviors of adolescent students (r=-.27, p=.000). 2) There was significant difference at .05 level in sexual risk behaviors among adolescent students who had gender difference (t=5.90, p=.000). 3) There was no significant difference at .05 level in sexual risk behaviors among adolescent students who had the different level of education (t=1.41, p=.16). 4) There was significant difference at .05 level in sexual risk behaviors among adolescent students who had the different level of sweetheart’s number (F=13.03, p=.000). 5) There was significant difference at .05 level in sexual risk behaviors among adolescent students who had the different level of achievement (F=4.77, p=.009). 6) There were significant difference at .05 level in sexual risk behaviors among adolescent students who had different level of sexual value (F=50.91, p=.000) 7) There were significant difference at .05 level in sexual risk behaviors among adolescent students who had different level of the influence of the friendship group (F=98.41, p=.000).

Keywords: the awareness of sexual risk behaviors, sexual risk behaviors, adolescent students

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12647 [Keynote Talk]: Implementation of 5 Level and 7 Level Multilevel Inverter in Local Trains of Mumbai

Authors: Sharvari Sane, Swati Sharma, Sanjay K. Prasad

Abstract:

Local trains are the lifelines of Mumbai city. Earlier 1500 Volt D.C. supply, is now completely and successfully converted into 25 KV A.C. in central, western and harbour routes. This task is the outcome of the advancement in the area of power electronics. Author has already done the comparative study between D.C. and A.C. supply of traction and predicted the serious problem regarding the harmonics. In this paper, the simulation for 5 level as well as 7 level multilevel inverter has been done which is the substitute for the present cascade type inverter. This paper also showed the reduced level of Total Harmonic Distortion (THD) in the traction system.

Keywords: total harmonic distortion (THD), traction sub station (TSS), harmonics, multilevel inverter

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12646 Geometric, Energetic and Topological Analysis of (Ethanol)₉-Water Heterodecamers

Authors: Jennifer Cuellar, Angie L. Parada, Kevin N. S. Chacon, Sol M. Mejia

Abstract:

The purification of bio-ethanol through distillation methods is an unresolved issue at the biofuel industry because of the ethanol-water azeotrope formation, which increases the steps of the purification process and subsequently increases the production costs. Therefore, understanding the mixture nature at the molecular level could provide new insights for improving the current methods and/or designing new and more efficient purification methods. For that reason, the present study focuses on the evaluation and analysis of (ethanol)₉-water heterodecamers, as the systems with the minimum molecular proportion that represents the azeotropic concentration (96 %m/m in ethanol). The computational modelling was carried out with B3LYP-D3/6-311++G(d,p) in Gaussian 09. Initial explorations of the potential energy surface were done through two methods: annealing simulated runs and molecular dynamics trajectories besides intuitive structures obtained from smaller (ethanol)n-water heteroclusters, n = 7, 8 and 9. The energetic order of the seven stable heterodecamers determines the most stable heterodecamer (Hdec-1) as a structure forming a bicyclic geometry with the O-H---O hydrogen bonds (HBs) where the water is a double proton donor molecule. Hdec-1 combines 1 water molecule and the same quantity of every ethanol conformer; this is, 3 trans, 3 gauche 1 and 3 gauche 2; its abundance is 89%, its decamerization energy is -80.4 kcal/mol, i.e. 13 kcal/mol most stable than the less stable heterodecamer. Besides, a way to understand why methanol does not form an azeotropic mixture with water, analogous systems ((ethanol)10, (methanol)10, and (methanol)9-water)) were optimized. Topologic analysis of the electron density reveals that Hec-1 forms 33 weak interactions in total: 11 O-H---O, 8 C-H---O, 2 C-H---C hydrogen bonds and 12 H---H interactions. The strength and abundance of the most unconventional interactions (H---H, C-H---O and C-H---O) seem to explain the preference of the ethanol for forming heteroclusters instead of clusters. Besides, O-H---O HBs present a significant covalent character according to topologic parameters as the Laplacian of electron density and the relationship between potential and kinetic energy densities evaluated at the bond critical points; obtaining negatives values and values between 1 and 2, for those two topological parameters, respectively.

Keywords: ADMP, DFT, ethanol-water azeotrope, Grimme dispersion correction, simulated annealing, weak interactions

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12645 Survey of Personality Characteristics in Adolescents under the Care of Tehran Juvenile Detention Center

Authors: Jamal Shokrzadehmadiyeh, Kambiz Kamkari, Shohreh Shokrzadeh

Abstract:

According to the research topic, the purpose of the current paper is to research personality characteristics in adolescents under the care of the Tehran Juvenile Detention Centre, and a survey research method has been used. In this regard, through systematic random sampling, 120 people from the research population were selected as a sample, who were referred to Tehran Juvenile Detention Centre after the decision was reached by the court. Data collection was carried out by separate examination using NEO-PI-III personality inventory, and statistical analysis was done using a one-sample t-test. Finally, the results of the research revealed that the level of neuroticism is higher than the average level, the level of conscientiousness is lower than the average level, and the level of extraversion, agreeableness, and openness are at the average level.

Keywords: personality characteristics, adolescents, Juvenile Detention Center, Tehran city

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12644 A Supramolecular Cocrystal of 2-Amino-4-Chloro-6-Methylpyrimidine with 4-Methylbenzoic Acid: Synthesis, Structural Determinations and Quantum Chemical Investigations

Authors: Nuridayanti Che Khalib, Kaliyaperumal Thanigaimani, Suhana Arshad, Ibrahim Abdul Razak

Abstract:

The 1:1 co-crystal of 2-amino-4-chloro-6-methylpyrimidine (2A4C6MP) with 4-methylbenzoic acid (4MBA) (I) has been prepared by slow evaporation method in methanol, which was crystallized in monoclinic C2/c space group, Z = 8, a = 28.431 (2) Å, b = 7.3098 (5) Å, c = 14.2622 (10) Å, and β = 109.618 (3)°. The presence of unionized –COOH functional group in co-crystal I was identified both by spectral methods (1H and 13C NMR, FTIR) and X-ray diffraction structural analysis. The 2A4C6MP molecule interact with the carboxylic group of the respective 4MBA molecule through N—H⋯O and O—H⋯N hydrogen bonds, forming a cyclic hydrogen –bonded motif R22(8). The crystal structure was stabilized by Npyrimidine-H⋯O=C and C=O-H⋯Npyrimidine types hydrogen bonding interactions. Theoretical investigations have been computed by HF and density function (B3LYP) method with 6-311+G(d,p) basis set. The vibrational frequencies together with 1H and 13C NMR chemical shifts have been calculated on the fully optimized geometry of co-crystal I. Theoretical calculations are in good agreement with the experimental results. Solvent-free formation of this co-crystal I is confirmed by powder X-ray diffraction analysis.

Keywords: supramolecular co-crystal, 2-amino-4-chloro-6-methylpyrimidine, Harthree-Fock and DFT studies, spectroscopic analysis

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12643 Mathematics Anxiety among Male and Female Students

Authors: Wern Lin Yeo, Choo Kim Tan, Sook Ling Lew

Abstract:

Mathematics anxiety refers to the feeling of anxious when one having difficulties in solving mathematical problem. Mathematics anxiety is the most common type of anxiety among other types of anxiety which occurs among the students. However, level of anxiety among males and females are different. There were few past study were conducted to determine the relationship of anxiety and gender but there were still did not have an exact results. Hence, the purpose of this study is to determine the relationship of anxiety level between male and female undergraduates at a private university in Malaysia. Convenient sampling method used in this study in which the students were selected based on the grouping assigned by the faculty. There were 214 undergraduates who registered the probability courses had participated in this study. Mathematics Anxiety Rating Scale (MARS) was the instrument used in study which used to determine students’ anxiety level towards probability. Reliability and validity of instrument was done before the major study was conducted. In the major study, students were given briefing about the study conducted. Participation of this study were voluntary. Students were given consent form to determine whether they agree to participate in the study. Duration of two weeks were given for students to complete the given online questionnaire. The data collected will be analyzed using Statistical Package for the Social Sciences (SPSS) to determine the level of anxiety. There were three anxiety level, i.e., low, average and high. Students’ anxiety level were determined based on their scores obtained compared with the mean and standard deviation. If the scores obtained were below mean and standard deviation, the anxiety level was low. If the scores were at below and above the mean and between one standard deviation, the anxiety level was average. If the scores were above the mean and greater than one standard deviation, the anxiety level was high. Results showed that both of the gender were having average anxiety level. Males having high frequency of three anxiety level which were low, average and high anxiety level as compared to females. Hence, the mean values obtained for males (M = 3.62) was higher than females (M = 3.42). In order to be significant of anxiety level among the gender, the p-value should be less than .05. The p-value obtained in this study was .117. However, this value was greater than .05. Thus, there was no significant difference of anxiety level among the gender. In other words, there was no relationship of anxiety level with the gender.

Keywords: anxiety level, gender, mathematics anxiety, probability and statistics

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12642 Can Antipsychotics Use for Schizophrenia on Long Term Lower Serum Cortisol Level?

Authors: Rady A., Elsheshai A., Eltawel M.

Abstract:

Introduction and Aim of work: Literature suggest that antipsychotic medications may decrease cortisol level, an effect that seems to be more present with second generation antipsychotic. Our study aims at assessing effect of long term use of antipsychotics on cortisol level Subjects and Methods: 30 chronic schizophrenic patients on antipsychotics compared to 20 drug naive schizophrenic patients as regards serum cortisol level Results: Cortisol level was significantly lower in chronic schizophrenic patients receiving antipsychotics compared to drug naive patients (P=0.002 <0.05) Conclusion: Antipsychotic medications seem to have the potential to decrease cortisol level in blood. Among hypothesis proposed in literature is the good control of pseudo stress due to psychotic features.

Keywords: schizophrenia, antipsychotic, cortisol, HPA

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12641 The Journey of a Malicious HTTP Request

Authors: M. Mansouri, P. Jaklitsch, E. Teiniker

Abstract:

SQL injection on web applications is a very popular kind of attack. There are mechanisms such as intrusion detection systems in order to detect this attack. These strategies often rely on techniques implemented at high layers of the application but do not consider the low level of system calls. The problem of only considering the high level perspective is that an attacker can circumvent the detection tools using certain techniques such as URL encoding. One technique currently used for detecting low-level attacks on privileged processes is the tracing of system calls. System calls act as a single gate to the Operating System (OS) kernel; they allow catching the critical data at an appropriate level of detail. Our basic assumption is that any type of application, be it a system service, utility program or Web application, “speaks” the language of system calls when having a conversation with the OS kernel. At this level we can see the actual attack while it is happening. We conduct an experiment in order to demonstrate the suitability of system call analysis for detecting SQL injection. We are able to detect the attack. Therefore we conclude that system calls are not only powerful in detecting low-level attacks but that they also enable us to detect high-level attacks such as SQL injection.

Keywords: Linux system calls, web attack detection, interception, SQL

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12640 Exploring the 1,3-Dipolar Cycloaddition Reaction between Nitrilimine and 6-Methyl-4,5-dihydropyridazin-3(2h)-one through MEDT and Molecular Docking Analysis

Authors: Zineb Ouahdi

Abstract:

Spirocyclic compound derivatives, with their unique heterocyclic motifs, serve as a continual source of inspiration in the pursuit of developing potential therapeutic agents. These compounds are diverse in their chemical structures; some have fully saturated skeletons, while others are partially unsaturated. Nevertheless, these compounds share a characteristic feature with natural products - the presence of at least one heteroatom in one of their rings. The inclusion of a C = O dipolarophile in pyridazinones imparts an exciting aspect for 1,3-dipolar cycloaddition reactions, the focal point of our study. Our research has involved a detailed theoretical investigation of the reaction between ethyl (Z)-2-bromo-2-(2-(p-tolyl)hydrazono)acetate and 6-methyl-4,5-dihydropyridazine-3(2H)-one. This has been accomplished using the DFT/B3LYP/6-31g(d,p) method, intending to illuminate the chemical pathway of this reaction. The chemical reactivity theories we used for this purpose included FMO, TS, and local and global indices derived from conceptual DFT. The theoretical framework outlined in this study allowed us to propose a reaction mechanism for cycloaddition reactions. It also enabled the identification of the potential activities of the analyzed compounds (P1, P2, P3, P4, P5, and P6) against the major protease of the coronavirus disease (COVID-19). This was achieved using various computational tools, including AutoDock Tools, Autodock Vina, Autodock 4, and PYRX.

Keywords: MEDT, pyridazin, cycloaddition, FMO, DFT, docking

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12639 Study on Water Level Management Criteria of Reservoir Failure Alert System

Authors: B. Lee, B. H. Choi

Abstract:

The loss of safety for reservoirs brought about by climate change and facility aging leads to reservoir failures, which results in the loss of lives and property damage in downstream areas. Therefore, it is necessary to provide a reservoir failure alert system for downstream residents to detect the early signs of failure (with sensors) in real-time and perform safety management to prevent and minimize possible damage. 10 case studies were carried out to verify the water level management criteria of four levels (attention, caution, alert, serious). Peak changes in water level data were analysed. The results showed that ‘Caution’ and ‘Alert’ were closed to 33% and 66% of difference in level between flood water level and full water level. Therefore, it is adequate to use initial water level management criteria of reservoir failure alert system for the first year. Acknowledgment: This research was supported by a grant (2017-MPSS31-002) from 'Supporting Technology Development Program for Disaster Management' funded by the Ministry of the Interior and Safety(MOIS)

Keywords: alert system, management criteria, reservoir failure, sensor

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12638 Engagement Analysis Using DAiSEE Dataset

Authors: Naman Solanki, Souraj Mondal

Abstract:

With the world moving towards online communication, the video datastore has exploded in the past few years. Consequently, it has become crucial to analyse participant’s engagement levels in online communication videos. Engagement prediction of people in videos can be useful in many domains, like education, client meetings, dating, etc. Video-level or frame-level prediction of engagement for a user involves the development of robust models that can capture facial micro-emotions efficiently. For the development of an engagement prediction model, it is necessary to have a widely-accepted standard dataset for engagement analysis. DAiSEE is one of the datasets which consist of in-the-wild data and has a gold standard annotation for engagement prediction. Earlier research done using the DAiSEE dataset involved training and testing standard models like CNN-based models, but the results were not satisfactory according to industry standards. In this paper, a multi-level classification approach has been introduced to create a more robust model for engagement analysis using the DAiSEE dataset. This approach has recorded testing accuracies of 0.638, 0.7728, 0.8195, and 0.866 for predicting boredom level, engagement level, confusion level, and frustration level, respectively.

Keywords: computer vision, engagement prediction, deep learning, multi-level classification

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12637 Synthesis, Density Functional Theory (DFT) and Antibacterial Studies of Highly Functionalized Novel Spiropyrrolidine 4-Quinolone-3-Carboxylic Acids Derived from 6-Acetyl Quinolone

Authors: Thangaraj Arasakumar, Athar Ata, Palathurai Subramaniam Mohan

Abstract:

A series of novel 4-quinolone-3-carboxylic acid grafted spiropyrrolidines as new type of antibacterial agents were synthesized via multicomponent 1,3-dipolar cycloaddition reaction of an azomethine ylides with a newly prepared (E)-4-oxo-6-(3-phenyl-acryloyl)-1,4-dihydro-quinoline-3-carboxylic acids in high regioselectivity with good yields. The structure of cycloadduct characterized by FT IR, mass, 1H, 13C, 2D NMR techniques and elemental analysis. Structure and spectrometry of compound 8a has been investigated theoretically by using HF and DFT approach at B3LYP, M05-2x/6-31G* levels of theories. The optimized geometries and calculated vibrational frequencies are evaluated via comparison with experimental values. A good agreement is found between the measured and calculated values. The DFT studies support the molecular mechanism of this cycloaddition reaction and determine the molecular electrostatic potential and thermodynamic properties. Furthermore, the antibacterial activities of synthesized compounds were evaluated against Gram-positive bacteria (Staphylococcus aureus, Bacillus subtilis) and Gram-negative bacteria strains (Escherichia coli, Klebsiella pneumoniae). Among 21 compounds screened, 8f and 8p were found to be more active against tested bacteria.

Keywords: antibacterial activity, azomethine ylide, DFT calculation, spirooxindole

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12636 The Comparison of Depression Level of Male Athlete Students with Non-Athlete Students

Authors: Seyed Hossein Alavi, Farshad Ghazalian, Soghra Jamshidi

Abstract:

The present study was done with the purpose of considering mental health and general purpose of describing and comparing depression level of athlete and non-athlete male students educational year of 2012 Research method in this study in proportion to the selective title, descriptive method is causative – comparative. Research samples were selected randomly from B.A students of different fields including 500 students. Average mean of research samples was between 20 to 25 years. Data collection tool is questionnaire of depression measurement of Aroun Beck (B.D.I) that analyzes and measures 21 aspects of depression in 6 ranges. Operation related to analysis of statistical data to extraction of results was done by SPSS software. To extraction of research obtained by comparison of depression level mean, show that the hypothesis of the research (H_1) based on the existence of the significance scientific difference was supported and showed that there’s a significance difference between depression level of athlete male students in comparison with depression level of non-athlete male students. Thus, depression level of athlete male students was lower in comparison with depression level of non-athlete male students.

Keywords: depression, athlete students, non-athlete students

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12635 Towards a Business Process Model Deriving from an Intentional Perspective

Authors: Omnia Saidani Neffati, Rim Samia Kaabi, Naoufel Kraiem

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In this paper, we propose an approach aiming at (i) representing services at two levels: the intentional level and the organizational level, and (ii) establishing mechanisms allowing to make a transition from the first level to the second one in order to execute intentional services. An example is used to validate our approach.

Keywords: intentional service, business process, BPMN, MDE, intentional service execution

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12634 Clustering Based Level Set Evaluation for Low Contrast Images

Authors: Bikshalu Kalagadda, Srikanth Rangu

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The important object of images segmentation is to extract objects with respect to some input features. One of the important methods for image segmentation is Level set method. Generally medical images and synthetic images with low contrast of pixel profile, for such images difficult to locate interested features in images. In conventional level set function, develops irregularity during its process of evaluation of contour of objects, this destroy the stability of evolution process. For this problem a remedy is proposed, a new hybrid algorithm is Clustering Level Set Evolution. Kernel fuzzy particles swarm optimization clustering with the Distance Regularized Level Set (DRLS) and Selective Binary, and Gaussian Filtering Regularized Level Set (SBGFRLS) methods are used. The ability of identifying different regions becomes easy with improved speed. Efficiency of the modified method can be evaluated by comparing with the previous method for similar specifications. Comparison can be carried out by considering medical and synthetic images.

Keywords: segmentation, clustering, level set function, re-initialization, Kernel fuzzy, swarm optimization

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12633 Real-Time Monitoring Approaches of Groundwater Conductivity and Level to Pre-Alert the Seawater Intrusion in Sand Coast of Liaodong Bay of China

Authors: Yuguang Wang, Chuanjun Wang

Abstract:

At present, many coastal areas around the world suffer from seawater intrusion. Seawater intrusion is the superimposed result of two factors which are nature and human social economical activities in particular area. In recent years, due to excessive exploitation of groundwater, the seawater intrusion phenomenon aggravate in coastal zone of the Bohai and Huanghai seas in our country. Moreover, with sea-level rising, the original hydrodynamic equilibrium between saltwater and freshwater has been damaged to a certain extent, and it will further aggravate seawater intrusion in the land plains. In addition, overexploitation of groundwater declined groundwater level and increase saltwater intrusion in coastal areas. Therefore, in view of the sensitivity and vulnerability of the impact of sea-level rise in the future, the risk of sea-level rise in coastal zone should be considered, reasonable exploitation, utilization and management of coastal zone’s groundwater should be formulated. The response mechanism of sea-level rise should be studied to prevent and reduce the harm of seawater intrusion, which has important theoretical and realistic significances. In this paper, through the long-term monitoring of groundwater level and conductibility in the transition region of seawater intrusion for the sand coast area, realtimely master the situation of seawater intrusion. Combined with the seasonal exploitation station of groundwater and sea level variation, early alert the seawater intrusion to prevent and reduce the harm of seawater intrusion.

Keywords: groundwater level, sea level, seawater intrusion, sand coast

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12632 Experimental and Theoretical Approach, Hirshfeld Surface, Reduced Density Gradient, Molecular Docking of a Thiourea Derivative

Authors: Noureddine Benharkat, Abdelkader Chouaih, Nourdine Boukabcha

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A thiourea derivative compound was synthesized and subjected to structural analysis using single-crystal X-ray diffraction (XRD). The crystallographic data unveiled its crystallization in the P21/c space group within the monoclinic system. Examination of the dihedral angles indicated a notable non-planar structure. To support and interpret these resulats, density functional theory (DFT) calculations were conducted utilizing the B3LYP functional along with a 6–311 G (d, p) basis set. Additionally, to assess the contribution of intermolecular interactions, Hirshfeld surface analysis and 2D fingerprint plots were employed. Various types of interactions, whether weak intramolecular or intermolecular, within a molecule can significantly impact its stability. The distinctive signature of non-covalent interactions can be detected solely through electron density analysis. The NCI-RDG analysis was employed to investigate both repulsive and attractive van der Waals interactions while also calculating the energies associated with intermolecular interactions and their characteristics. Additionally, a molecular docking study was studied to explain the structure-activity relationship, revealing that the title compound exhibited an affinity energy of -6.8 kcal/mol when docked with B-DNA (1BNA).

Keywords: computational chemistry, density functional theory, crystallography, molecular docking, molecular structure, powder x-ray diffraction, single crystal x-ray diffraction

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12631 Expectation and Satisfaction of Health Spa Business Service, Ranong Province, Thailand

Authors: Supattra Pranee

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The purposes of this research are to study the current business of health spa and to study the customers’ level of expectation as well as level of satisfaction of the health spa business in Ranong, Thailand. This paper drew upon data collected from health spa customers by using questionnaire. In addition, an in-depth interview was utilized to collect data from health spa entrepreneurs. The findings revealed that the health spa business is growing very fast and the coming ASEAN Economic Community (AEC) will ameliorate the business growth and increase the customer base. There is a need to improve staff’s ability to communicate in English. However, the economic size of Ranong province is still small which has resulted in the hesitation of investors to increase their investment in this business. The findings also revealed four categories of level of expectation and satisfaction as follows: (1) Service: overall, customers had a high expectation with a mean of 3.80 and 0.873 SD and a high level of satisfaction with a mean of 3.66 and 0.704 SD. (2) Staff: overall, customers had a high expectation with a mean of 3.95 and 0.865 SD and a high level of satisfaction with a mean of 3.84 and 0.783 SD. (3) Product, Equipment, and Tools: overall, customers had a high expectation with a mean of 4.02 and 0.913 SD and a high level of satisfaction with a mean of 3.88 and 0.772 SD. (4) Place, Atmosphere, and Environment: overall, customers had a high expectation with a mean of 3.95 and 0.906 SD and a high level of satisfaction with a mean of 3.86 and 0.785 SD.

Keywords: expectation, health spa business, satisfaction, ranong province

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12630 Evaluation of Salivary Nickel Level During Orthodontic Treatment

Authors: Mudafara S. Bengleil, Juma M. Orfi, Iman Abdelgader

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Since nickel is a known toxic and carcinogenic metal, the present study was designed to evaluate the level of nickel released into the saliva of orthodontic patients. Non-stimulated saliva was collected from 18 patients attending The Orthodontic Clinic of Dental Faculty of Benghazi University. Patients were divided into two groups and level of nickel was determined by atomic absorption spectrophotometry. Nickel concentration values (mg/L) in first group prior to starting treatment was 0.097± 0.071. An increase in level of nickel was followed by decrease 4 and 8 weeks after applying the arch wire (0.208± 0.112) and (0.077±0.056 mg/L) respectively. Nickel levels in saliva of the second group were showed minimal variation and ranged from 0.061± 0.044mg/L to 0.083±0.054 throughout period of study. It may be concluded that there could be a release of nickel from the appliance used in first group but it doesn't reach toxic level in saliva.

Keywords: atomic absorption spectrophotometry, nickel, orthodontic treatment, saliva, toxicity

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12629 Vibrational Spectra and Nonlinear Optical Investigations of a Chalcone Derivative (2e)-3-[4-(Methylsulfanyl) Phenyl]-1-(3-Bromophenyl) Prop-2-En-1-One

Authors: Amit Kumar, Archana Gupta, Poonam Tandon, E. D. D’Silva

Abstract:

Nonlinear optical (NLO) materials are the key materials for the fast processing of information and optical data storage applications. In the last decade, materials showing nonlinear optical properties have been the object of increasing attention by both experimental and computational points of view. Chalcones are one of the most important classes of cross conjugated NLO chromophores that are reported to exhibit good SHG efficiency, ultra fast optical nonlinearities and are easily crystallizable. The basic structure of chalcones is based on the π-conjugated system in which two aromatic rings are connected by a three-carbon α, β-unsaturated carbonyl system. Due to the overlap of π orbitals, delocalization of electronic charge distribution leads to a high mobility of the electron density. On a molecular scale, the extent of charge transfer across the NLO chromophore determines the level of SHG output. Hence, the functionalization of both ends of the π-bond system with appropriate electron donor and acceptor groups can enhance the asymmetric electronic distribution in either or both ground and excited states, leading to an increased optical nonlinearity. In this research, the experimental and theoretical study on the structure and vibrations of (2E)-3-[4-(methylsulfanyl) phenyl]-1-(3-bromophenyl) prop-2-en-1-one (3Br4MSP) is presented. The FT-IR and FT-Raman spectra of the NLO material in the solid phase have been recorded. Density functional theory (DFT) calculations at B3LYP with 6-311++G(d,p) basis set were carried out to study the equilibrium geometry, vibrational wavenumbers, infrared absorbance and Raman scattering activities. The interpretation of vibrational features (normal mode assignments, for instance) has an invaluable aid from DFT calculations that provide a quantum-mechanical description of the electronic energies and forces involved. Perturbation theory allows one to obtain the vibrational normal modes by estimating the derivatives of the Kohn−Sham energy with respect to atomic displacements. The molecular hyperpolarizability β plays a chief role in the NLO properties, and a systematical study on β has been carried out. Furthermore, the first order hyperpolarizability (β) and the related properties such as dipole moment (μ) and polarizability (α) of the title molecule are evaluated by Finite Field (FF) approach. The electronic α and β of the studied molecule are 41.907×10-24 and 79.035×10-24 e.s.u. respectively, indicating that 3Br4MSP can be used as a good nonlinear optical material.

Keywords: DFT, MEP, NLO, vibrational spectra

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12628 A Systems-Level Approach towards Transition to Electrical Vehicles

Authors: Mayuri Roy Choudhury, Deepti Paul

Abstract:

Many states in the United States are aiming for high renewable energy targets by the year 2045. In order to achieve this goal, they must do transition to Electrical Vehicles (EVS). We first applied the Multi-Level perspective framework to describe the inter-disciplinary complexities associated with the transition to EVs. Thereafter we addressed these complexities by creating an inter-disciplinary policy framework that uses data science algorithms to create evidence-based policies in favor of EVs. Our policy framework uses a systems level approach as it addresses transitions to EVs from a technology, economic, business and social perspective. By Systems-Level we mean approaching a problem from a multi-disciplinary perspective. Our systems-level approach could be a beneficial decision-making tool to a diverse number of stakeholders such as engineers, entrepreneurs, researchers, and policymakers. In addition, it will add value to the literature of electrical vehicles, sustainable energy, energy economics, and management as well as efficient policymaking.

Keywords: transition, electrical vehicles, systems-level, algorithms

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12627 A Study of Competition Anxiety among Male and Female Volleyball Players of Gujarat

Authors: Mukesh R. Goswami

Abstract:

Sports Competition Anxiety test (SCAT) constructed and standardized by Martens was Administrated on 30 National level (15 male, 15 female) Volleyball players of Gujarat. The age of subjects ranged between 19 to 22 years. The purpose of the study was to compare the level of Anxiety between male and female national level Volleyball players of Gujarat. Statistical analysis has been done by T-test and the significance of the result was seen on 0.05 level. The t-test showed that there was no significant difference found in mean difference among the male and the female National level Volleyball players in relation to sports competition anxiety.

Keywords: competition, anxiety, male and female volleyball players, sports

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12626 Design and Simulation on Technology Capabilities in Developing countries, Design and Engineering Approach

Authors: S. Abedi, M. R. Soroush, M. Mousakhani

Abstract:

According to studies in the field of technology capabilities we identify the most important indicators to evaluate the level of "Design and Engineering" capabilities. Since the technology development correlates with the level of technology capabilities trying to promote its key importance. In this research by using FDM, the right combination of D&E capabilities indicators according to the auto industry is presented. Finally, with modeling evaluation of D&E capabilities by using FIS and check its reliability, five levels were determined to evaluate the D&E capabilities. We have analyzed 80 companies in auto industry and determined D&E capabilities of each level. Field of company activity indicators has been divided into four categories, Suspension group, Electrical group, Engine groups and trims group. The results show that half of the surveyed companies had D&E capabilities in Level 1 and 2 or in other words very low and low level of D&E.

Keywords: developing countries, D&E capabilities, technology capabilities, auto industry

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12625 Recent Advances in Pulse Width Modulation Techniques and Multilevel Inverters

Authors: Satish Kumar Peddapelli

Abstract:

This paper presents advances in pulse width modulation techniques which refers to a method of carrying information on train of pulses and the information be encoded in the width of pulses. Pulse Width Modulation is used to control the inverter output voltage. This is done by exercising the control within the inverter itself by adjusting the ON and OFF periods of inverter. By fixing the DC input voltage we get AC output voltage. In variable speed AC motors the AC output voltage from a constant DC voltage is obtained by using inverter. Recent developments in power electronics and semiconductor technology have lead improvements in power electronic systems. Hence, different circuit configurations namely multilevel inverters have become popular and considerable interest by researcher are given on them. A fast Space-Vector Pulse Width Modulation (SVPWM) method for five-level inverter is also discussed. In this method, the space vector diagram of the five-level inverter is decomposed into six space vector diagrams of three-level inverters. In turn, each of these six space vector diagrams of three-level inverter is decomposed into six space vector diagrams of two-level inverters. After decomposition, all the remaining necessary procedures for the three-level SVPWM are done like conventional two-level inverter. The proposed method reduces the algorithm complexity and the execution time. It can be applied to the multilevel inverters above the five-level also. The experimental setup for three-level diode-clamped inverter is developed using TMS320LF2407 DSP controller and the experimental results are analysed.

Keywords: five-level inverter, space vector pulse wide modulation, diode clamped inverter, electrical engineering

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12624 Groundwater Level Prediction Using hybrid Particle Swarm Optimization-Long-Short Term Memory Model and Performance Evaluation

Authors: Sneha Thakur, Sanjeev Karmakar

Abstract:

This paper proposed hybrid Particle Swarm Optimization (PSO) – Long-Short Term Memory (LSTM) model for groundwater level prediction. The evaluation of the performance is realized using the parameters: root mean square error (RMSE) and mean absolute error (MAE). Ground water level forecasting will be very effective for planning water harvesting. Proper calculation of water level forecasting can overcome the problem of drought and flood to some extent. The objective of this work is to develop a ground water level forecasting model using deep learning technique integrated with optimization technique PSO by applying 29 years data of Chhattisgarh state, In-dia. It is important to find the precise forecasting in case of ground water level so that various water resource planning and water harvesting can be managed effectively.

Keywords: long short-term memory, particle swarm optimization, prediction, deep learning, groundwater level

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12623 Students’ Attitudes towards Reading as a Determinant of Performance in O’ Level English in Oyo State Secondary Schools, Nigeria

Authors: Adebimpe Olubunmi Adebanjo

Abstract:

This study observed students’ attitudes towards reading as a determinant of performance in O’ Level English in Oyo state secondary schools. Random sampling technique was used to select two schools from each of the five geo-political zones of the state while stratified sampling technique was used to select twenty students from each of the ten schools. A researcher designed questionnaire was used to gather information on students’ attitudes while a prepared test based on O’ Level syllabus was stapled to each of the questionnaire to ascertain their level of achievement in O’ Level English. The Percentage, Mean, Standard Deviation, Chi-square and Pearson Contingency Coefficient were used to answer and test the research questions and hypotheses raised. The findings showed that the general attitude of students towards reading was ambivalent; the general level of achievement was also low. The findings also revealed that there was a significant difference in the attitudes of students to reading on the basis of gender and home background. Students from educated homes also had better attitudes towards reading than their counterparts from illiterate homes. The findings also showed that there was a significant relationship between students’ attitudes to reading and their performance in O’ Level English. Students with positive attitude to reading had better grades in O’ Level English than students with ambivalent and negative attitudes. Based on the findings, it was recommended that students should change their attitudes to reading; the school and the home were also advised to always encourage students to read.

Keywords: positive, ambivalent, negative attitudes, o' level English

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