Search results for: system model

Authors: Jenney Perez Bacalla

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The study was conducted to assess the five (5) identified school administrators of the identified secondary schools in terms of professional characteristics, management skills and values patterns in the Division of Leyte Area IV for a proposed enhancement model for school administrators. The study utilized the qualitative method. There were two (2) groups of respondents: the teachers and the school administrators. The teachers perceived the management skills of the school administrators in their technical and conceptual skills and values in planning and organizing work, allocating and using of funds, submitting reports, decision-making, leading people, public relations and community involvement and other value development. It was found out in the study that most of the school administrators’ management skills were very well manifested. Their value patterns were also very well manifested. Most of them had earned master’s degree and with a unit in doctoral and five (5) years and above in service as a school administrator. Most administrators were performing and successfully execute the planning, organizing and utilizing funds and they were able to lead their subordinates. In planning, it shows that administrators studied the future and arrange the plan. Administrators also were able to manage, maintained the good environment wherein individual work together. School administrators were creating an environment conducive to learning. The school administrator is manifesting the desirable practices in school management. In terms of their educational qualifications, they were all qualified. Academic preparation, trainings and maturation were their attributes to the development of managerial skills of the school administrators. They showed competence in the areas of management skills that they were able to carry their functions with utmost responsibility and capability. School administrators in terms of seminars and trainings on administration and supervision were already equipped. It is concluded that the school administrators possessed the necessary skills and work values in administering the school.

Keywords: management skills and values, public secondary schools, qualitative, school administrators

Procedia PDF Downloads 328

Authors: Anil Kumar, Rajnish Kaur, Mateusz Czyzycki, Alessandro Migilori, Andreas Germanos Karydas, Sanjiv Puri

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The radiative decay of Li(i=1-3) sub-shell vacancies produced through photoionization results in production of the characteristic emission spectrum comprising several X-ray lines, whereas non-radiative vacancy decay results in Auger electron spectrum. Accurate reliable data on the Li(i=1-3) sub-shell X-ray production (XRP) cross sections is of considerable importance for investigation of atomic inner-shell ionization processes as well as for quantitative elemental analysis of different types of samples employing the energy dispersive X-ray fluorescence (EDXRF) analysis technique. At incident photon energies in vicinity of the absorption edge energies of an element, the many body effects including the electron correlation, core relaxation, inter-channel coupling and post-collision interactions become significant in the photoionization of atomic inner-shells. Further, in case of compounds, the characteristic emission spectrum of the specific element is expected to get influenced by the chemical environment (coordination number, oxidation state, nature of ligand/functional groups attached to central atom, etc.). These chemical effects on L X-ray fluorescence parameters have been investigated by performing the measurements at incident photon energies much higher than the Li(i=1-3) sub-shell absorption edge energies using EDXRF spectrometers. In the present work, the cross sections for production of the Lk(k= γ2,3, γ4) X-rays have been measured for some compounds of 66Dy, namely, Dy2O3, Dy2(CO3)3, Dy2(SO4)3.8H2O, DyI2 and Dy metal by tuning the incident photon energies few eV above the L1 absorption-edge energy in order to investigate the influence of chemical effects on these cross sections in presence of the many body effects which become significant at photon energies close to the absorption-edge energies. The present measurements have been performed under vacuum at the IAEA end-station of the X-ray fluorescence beam line (10.1L) of ELETTRA synchrotron radiation facility (Trieste, Italy) using self-supporting pressed pellet targets (1.3 cm diameter, nominal thicknesses ~ 176 mg/cm2) of 66Dy compounds (procured from Sigma Aldrich) and a metallic foil of 66Dy (nominal thickness ~ 3.9 mg/cm2, procured from Good Fellow, UK). The present measured cross sections have been compared with theoretical values calculated using the Dirac-Hartree-Slater(DHS) model based fluorescence and Coster-Kronig yields, Dirac-Fock(DF) model based X-ray emission rates and two sets of L1 sub-shell photoionization cross sections based on the non-relativistic Hartree-Fock-Slater(HFS) model and those deduced from the self-consistent Dirac-Hartree-Fock(DHF) model based total photoionization cross sections. The present measured XRP cross sections for 66Dy as well as for its compounds for the L2,3 and L4 X-rays, are found to be higher by ~14-36% than the two calculated set values. It is worth to be mentioned that L2,3 and L4 X-ray lines are originated by filling up of the L1 sub-shell vacancies by the outer sub-shell (N2,3 and O2,3) electrons which are much more sensitive to the chemical environment around the central atom. The present observed differences between measured and theoretical values are expected due to combined influence of the many-body effects and the chemical effects.

Keywords: chemical effects, L X-ray production cross sections, Many body effects, Synchrotron radiation

Procedia PDF Downloads 126

Authors: Olfat A. Mohamed

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Rhamnolipids biosurfactants have distinct properties given them importance in many industrial applications, especially their great new future applications in cosmetic and pharmaceutical industries. These applications have encouraged the search for diverse and renewable resources to control the cost of production. The experimental results were then applied to find a suitable mathematical model for obtaining the design criteria of the batch bioreactor. This research aims to produce Rhamnolipids from different oily wastewater sources such as petroleum crude oil (PO) and vegetable oil (VO) by using Pseudomonas aeruginosa ATCC 9027. Different concentrations of the PO and the VO are added to the media broth separately are in arrangement (0.5 1, 1.5, 2, 2.5 % v/v) and (2, 4, 6, 8 and 10%v/v). The effect of the initial concentration of oil residues and the addition of glycerol and palmitic acid was investigated as an inducer in the production of rhamnolipid and the surface tension of the broth. It was found that 2% of the waste (PO) and 6% of the waste (VO) was the best initial substrate concentration for the production of rhamnolipids (2.71, 5.01 g rhamnolipid/l) as arrangement. Addition of glycerol (10-20% v glycerol/v PO) to the 2% PO fermentation broth led to increase the rhamnolipid production (about 1.8-2 times fold). However, the addition of palmitic acid (5 and 10 g/l) to fermentation broth contained 6% VO rarely enhanced the production rate. The experimental data for 2% initially (PO) was used to estimate the various kinetic parameters. The following results were obtained, maximum rate or velocity of reaction (Vmax) = 0.06417 g/l.hr), yield of cell weight per unit weight of substrate utilized (Yx/s = 0.324 g Cx/g Cs) maximum specific growth rate (μmax = 0.05791 hr⁻¹), yield of rhamnolipid weight per unit weight of substrate utilized (Yp/s)=0.2571gCp/g Cs), maintenance coefficient (Ms =0.002419), Michaelis-Menten constant, (Km=6.1237 gmol/l), endogenous decay coefficient (Kd=0.002375 hr⁻¹). Predictive parameters and advanced mathematical models were applied to evaluate the time of the batch bioreactor. The results were as follows: 123.37, 129 and 139.3 hours in respect of microbial biomass, substrate and product concentration, respectively compared with experimental batch time of 120 hours in all cases. The expected mathematical models are compatible with the laboratory results and can, therefore, be considered as tools for expressing the actual system.

Keywords: batch bioreactor design, glycerol, kinetic parameters, petroleum crude oil, Pseudomonas aeruginosa, rhamnolipids biosurfactants, vegetable oil

Procedia PDF Downloads 127

Authors: Sujata Kulkarni, Udhav Bhosle, Vijaykumar T.

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Due to the closeness between seismic signals and non-seismic signals, it is vital to detect earthquakes using conventional methods. In order to distinguish between seismic events and non-seismic events depending on their amplitude, our study processes the data that come from seismic sensors. The authors suggest a robust noise suppression technique that makes use of a bandpass filter, an IIR Wiener filter, recursive short-term average/long-term average (STA/LTA), and Carl short-term average (STA)/long-term average for event identification (LTA). The trigger ratio used in the proposed study to differentiate between seismic and non-seismic activity is determined. The proposed work focuses on significant feature extraction for machine learning-based seismic event detection. This serves as motivation for compiling a dataset of all features for the identification and forecasting of seismic signals. We place a focus on feature vector dimension reduction techniques due to the temporal complexity. The proposed notable features were experimentally tested using a machine learning model, and the results on unseen data are optimal. Finally, a presentation using a hybrid dataset (captured by different sensors) demonstrates how this model may also be employed in a real-time setting while lowering false alarm rates. The planned study is based on the examination of seismic signals obtained from both individual sensors and sensor networks (SN). A wideband seismic signal from BSVK and CUKG station sensors, respectively located near Basavakalyan, Karnataka, and the Central University of Karnataka, makes up the experimental dataset.

Keywords: Carl STA/LTA, features extraction, real time, dataset, machine learning, seismic detection

Procedia PDF Downloads 118

Authors: Nasibeh Mohammadpour, Ali Rajabzadeh, Adel Azar, Hamid Zargham Borujeni,

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Generally, various industries development depends on their stakeholders and beneficiaries supports. One of the most important stakeholders in tourism industry ( which has become one of the most important lucrative and employment-generating activities at the international level these days) are host communities in tourist destination which are affected and effect on this industry development. Recognizing host community and its segmentations can be important to get their support for future decisions and policy making. In order to identify these segments, in this study, clustering of the residents has been done by using some tools that are designed to encounter human complexities and have ability to model and generalize complex systems without any needs for the initial clusters’ seeds like classic methods. Neural networks can help to meet these expectations. The research have been planned to design neural networks-based mathematical model for clustering the host community effectively according to multi criteria, and identifies differences among segments. In order to achieve this goal, the residents’ segmentation has been done by demographic characteristics, their attitude towards the tourism development, the level of satisfaction and the type of their support in this field. The applied method is self-organized neural networks and the results have compared with K-means. As the results show, the use of Self- Organized Map (SOM) method provides much better results by considering the Cophenetic correlation and between clusters variance coefficients. Based on these criteria, the host community is divided into five sections with unique and distinctive features, which are in the best condition (in comparison other modes) according to Cophenetic correlation coefficient of 0.8769 and between clusters variance of 0.1412.

Keywords: Artificial Nural Network, Clustering , Resident, SOM, Tourism

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Authors: Vandana T. Gawande, Kailash G. Bothara, Chandani O. Satija

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The present research work was aimed to determine stability of cefprozil monohydrate (CEFZ) as per various stress degradation conditions recommended by International Conference on Harmonization (ICH) guideline Q1A (R2). Forced degradation studies were carried out for hydrolytic, oxidative, photolytic and thermal stress conditions. The drug was found susceptible for degradation under all stress conditions. Separation was carried out by using High Performance Thin Layer Chromatographic System (HPTLC). Aluminum plates pre-coated with silica gel 60F254 were used as the stationary phase. The mobile phase consisted of ethyl acetate: acetone: methanol: water: glacial acetic acid (7.5:2.5:2.5:1.5:0.5v/v). Densitometric analysis was carried out at 280 nm. The system was found to give compact spot for cefprozil monohydrate (0.45 Rf). The linear regression analysis data showed good linear relationship in the concentration range 200-5.000 ng/band for cefprozil monohydrate. Percent recovery for the drug was found to be in the range of 98.78-101.24. Method was found to be reproducible with % relative standard deviation (%RSD) for intra- and inter-day precision to be < 1.5% over the said concentration range. The method was validated for precision, accuracy, specificity and robustness. The method has been successfully applied in the analysis of drug in tablet dosage form. Three unknown degradation products formed under various stress conditions were isolated by preparative HPTLC and characterized by mass spectroscopic studies.

Keywords: cefprozil monohydrate, degradation products, HPTLC, stress study, stability indicating method

Procedia PDF Downloads 295

Authors: Abu Afree Andalib, Rafiur Rahman, Md Mezbah Uddin

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The main objective of this work is to anatomize on the various parameters of AGM 88 missile anatomized using FSI module in Ansys. Computational fluid dynamics is used for the study of fluid flow pattern and fluidic phenomenon such as drag, pressure force, energy dissipation and shockwave distribution in water. Using finite element analysis module of Ansys, structural parameters such as stress and stress density, localization point, deflection, force propagation is determined. Separate analysis on structural parameters is done on Abacus. State of the art coupling module is used for FSI analysis. Fine mesh is considered in every case for better result during simulation according to computational machine power. The result of the above-mentioned parameters is analyzed and compared for two phases using graphical representation. The result of Ansys and Abaqus are also showed. Computational Fluid Dynamics and Finite Element analyses and subsequently the Fluid-Structure Interaction (FSI) technique is being considered. Finite volume method and finite element method are being considered for modelling fluid flow and structural parameters analysis. Feasible boundary conditions are also utilized in the research. Significant change in the interaction and interference pattern while the impact was found. Theoretically as well as according to simulation angled condition was found with higher impact.

Keywords: FSI (Fluid Surface Interaction), impact, missile, high viscous fluid, CFD (Computational Fluid Dynamics), FEM (Finite Element Analysis), FVM (Finite Volume Method), fluid flow, fluid pattern, structural analysis, AGM-88, Ansys, Abaqus, meshing, k-omega, turbulence model

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Authors: Dmitrii Starikov, Evgeny Rybakov, Denis Zhuravlev

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Plastic for 3D printing is very necessary material part for printers. But plastic production is technological process, which implies application of different control algorithms. Possible algorithms of providing set diameter of plastic fiber are proposed and described in the article. Results of research were proved by existing unit of filament production.

Keywords: ABS-plastic, automation, control system, extruder, filament, PID-algorithm

Procedia PDF Downloads 400

Authors: Jose Luis Solleiro, Rosario Castanon, Laura Elena Martinez

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The State of Mexico is an administrative entity of Mexico, and it is one of the most important territories due to its great economic and social impact for the whole country, especially since it contributes with more than eight of the national Gross Domestic Product (GDP). The State of Mexico has a population of over seventeen million people and host very important business and productive industries such as Automotive, Chemicals, Pharmaceutical, and Agri-food. In 2017, the State Development Plan (Plan Estatal de Desarrollo in Spanish) which is a policy document that rules State's economic actions and integrates the bases for sectoral and regional programs to achieve regional development), raised innovation as a key aspect to boost competitiveness and productivity of the State of Mexico. Therefore, in line with this proposal, in 2018 the Mexican Council for Science and Technology (COMECYT for its acronym in Spanish), an institution in charge of promoting public science and technology policies in the State of Mexico, took actions towards building up the State´s Innovation System. Hence, the main objective of this paper is to review and analyze the process to create RIS in the State of Mexico. We focus on the key elements of the process, the diverse actors that were involved in it, the activities that were carried out and the identification of the challenges, findings, successes, and failures of the intended exercise. The methodology used to analyze the structure of the Innovation System of the State of Mexico is based on two elements: the case study and the research-action approach. The main objective of the paper, the case study was based on semi-structured interviews with key actors who have participated in the process of launching the RIS of the State of Mexico. Additionally, we analyzed the information reports and other documents that were elaborated during the process of shaping the State's innovation system. Finally, the results obtained in the process were also examined. The relevance of this investigation fundamentally rests in two elements: 1) keeping documental record of the process of building a RIS in Mexico; and 2) carrying out the analysis of this case study recognizing the importance of knowledge extraction and dissemination, so that lessons on this matter may be useful for similar experiences in the future. We conclude that in Mexico, documentation and analysis efforts related to the formation of RIS and interaction processes between innovation ecosystem actors are scarce, so documents like are of great importance, especially since it generates a series of findings and recommendations for the building of RIS.

Keywords: regional innovation systems, innovation, development, competitiveness

Procedia PDF Downloads 114

Authors: Carol Yue-En Ong, Angelina Hui-Min Tan, Quan Liu, Paul Chi-Lui Ho

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A public general hospital in Singapore has recently implemented an automated unit-dose machine in their inpatient dispensary, Swisslog, with the objective of reducing human error and improving patient safety. However, a concern in stability arises as tablets are removed from their original packaging (bottled loose tablets/capsules) and are repackaged into individual, clear plastic wrappers as unit doses in the system. Drugs that are light-sensitive and hygroscopic would be more susceptible to degradation as the wrapper does not offer full protection. Hence, this study was carried out to study the stability of haloperidol tablets and phenytoin capsules that are light-sensitive and hygroscopic respectively. Validated HPLC-UV assays were first established for quantification of these two compounds. The medications involved were put in the Swisslog and sampled every week for one month. The collected data was analysed and showed no degradation over time. This study also explored an alternative approach for drug stability determination-Raman spectroscopy. The advantage of Raman spectroscopy is its high time efficiency and non-destructive nature. The results suggest that drug degradation can indeed be detected using Raman microscopy, but further research is needed to establish this approach for quantification or qualification of compounds. NanoRam®, a portable Raman spectrocope was also used alongside Raman microscopy but was unsuccessful in detecting degradation in this study.

Keywords: drug stability, haloperidol, HPLC, phenytoin, raman spectroscopy, Swisslog

Procedia PDF Downloads 343

Authors: Pardhasaradhi Gudla, Imanual A.

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The generated electrical power in offshore needs to be transmitted to grid which is located in onshore by using subsea cables. Long subsea cables produce reactive power, which should be compensated in order to limit transmission losses, to optimize the transmission capacity, and to keep the grid voltage within the safe operational limits. Installation cost of wind farm includes the structure design cost and electrical system cost. India has targeted to achieve 175GW of renewable energy capacity by 2022 including offshore wind power generation. Due to sea depth is more in India, the installation cost will be further high when compared to European countries where offshore wind energy is already generating successfully. So innovations are required to reduce the offshore wind power project cost. This paper presents the optimized techniques to reduce the installation cost of offshore wind firm with respect to electrical transmission systems. This technical paper provides the techniques for increasing the current carrying capacity of subsea cable by decreasing the reactive power generation (capacitance effect) of the subsea cable. There are many methods for reactive power compensation in wind power plants so far in execution. The main reason for the need of reactive power compensation is capacitance effect of subsea cable. So if we diminish the cable capacitance of cable then the requirement of the reactive power compensation will be reduced or optimized by avoiding the intermediate substation at midpoint of the transmission network.

Keywords: offshore wind power, optimized techniques, power system, sub sea cable

Procedia PDF Downloads 188

Authors: Zoubida Mahi

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A successful satellite mission in space requires a reliable attitude and orbit control system to command, control and position the satellite in appropriate orbits. Several sensors are used for attitude control, such as magnetic sensors, earth sensors, horizon sensors, gyroscopes, and solar sensors. The star tracker is the most accurate sensor compared to other sensors, and it is able to offer high-accuracy attitude control without the need for prior attitude information. There are mainly three approaches in star sensor research: digital simulation, hardware in the loop simulation, and field test of star observation. In the digital simulation approach, all of the processes are done in software, including star image simulation. Hence, it is necessary to develop star image simulation software that could simulate real space environments and various star sensor configurations. In this paper, we present a new stellar image simulation tool that is used to test and validate the stellar sensor algorithms; the developed tool allows to simulate of stellar images with several types of noise, such as background noise, gaussian noise, Poisson noise, multiplicative noise, and several scenarios that exist in space such as the presence of the moon, the presence of optical system problem, illumination and false objects. On the other hand, we present in this paper a new star extraction algorithm based on a new centroid calculation method. We compared our algorithm with other star extraction algorithms from the literature, and the results obtained show the star extraction capability of the proposed algorithm.

Keywords: star tracker, star simulation, star detection, centroid, noise, scenario

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Authors: Kurt Maxwell Kusterer, Sylvain Mignot, Annick Vignes

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To our best knowledge YouTube is the largest video hosting platform in the world. A high number of creators, viewers, subscribers and commentators act in this specific eco-system which generates huge sums of money. Views, subscribers, and comments help to increase the popularity of content creators. The most popular creators are sponsored by brands and participate in marketing campaigns. For a few of them, this becomes a financially rewarding profession. This is made possible through the YouTube Partner Program, which shares revenue among creators based on their popularity. We believe that the role of comments in increasing the popularity is to be emphasized. In what follows, YouTube is considered as a bilateral network between the videos and the commentators. Analyzing a detailed data set focused on French YouTubers, we consider each comment as a link between a commentator and a video. Our research question asks what are the predominant features of a video which give it the highest probability to be commented on. Following on from this question, how can we use these features to predict the action of the agent in commenting one video instead of another, considering the characteristics of the commentators, videos, topics, channels, and recommendations. We expect to see that the videos of more popular channels generate higher viewer engagement and thus are more frequently commented. The interest lies in discovering features which have not classically been considered as markers for popularity on the platform. A quick view of our data set shows that 96% of the commentators comment only once on a certain video. Thus, we study a non-weighted bipartite network between commentators and videos built on the sub-sample of 96% of unique comments. A link exists between two nodes when a commentator makes a comment on a video. We run an Exponential Random Graph Model (ERGM) approach to evaluate which characteristics influence the probability of commenting a video. The creation of a link will be explained in terms of common video features, such as duration, quality, number of likes, number of views, etc. Our data is relevant for the period of 2020-2021 and focuses on the French YouTube environment. From this set of 391 588 videos, we extract the channels which can be monetized according to YouTube regulations (channels with at least 1000 subscribers and more than 4000 hours of viewing time during the last twelve months).In the end, we have a data set of 128 462 videos which consist of 4093 channels. Based on these videos, we have a data set of 1 032 771 unique commentators, with a mean of 2 comments per a commentator, a minimum of 1 comment each, and a maximum of 584 comments.

Keywords: YouTube, social networks, economics, consumer behaviour

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Authors: Chandra Shekhar Prasad, Ludek Pesek Prasad

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In the present day fan blade of aero engine, turboprop propellers, gas turbine or steam turbine low-pressure blades are getting bigger, lighter and thus, become more flexible. Therefore, flutter, forced blade response and vibration related failure of the high aspect ratio blade are of main concern for the designers, thus need to be address properly in order to achieve successful component design. At the preliminary design stage large number of design iteration is need to achieve the utter free safe design. Most of the numerical method used for aeroelastic analysis is based on field-based methods such as finite difference method, finite element method, finite volume method or coupled. These numerical schemes are used to solve the coupled fluid Flow-Structural equation based on full Naiver-Stokes (NS) along with structural mechanics’ equations. These type of schemes provides very accurate results if modeled properly, however, they are computationally very expensive and need large computing recourse along with good personal expertise. Therefore, it is not the first choice for aeroelastic analysis during preliminary design phase. A reduced order aeroelastic model (ROAM) with acceptable accuracy and fast execution is more demanded at this stage. Similar ROAM are being used by other researchers for aeroelastic and force response analysis of turbomachinery. In the present paper new medium fidelity ROAM is successfully developed and implemented in numerical tool to simulated the aeroelastic stability phenomena in turbomachinery and well as flexible wings. In the present, a hybrid flow solver based on 3D viscous-inviscid coupled 3D panel method (PM) and 3d discrete vortex particle method (DVM) is developed, viscous parameters are estimated using boundary layer(BL) approach. This method can simulate flow separation and is a good compromise between accuracy and speed compared to CFD. In the second phase of the research work, the flow solver (PM) will be coupled with ROM non-linear beam element method (BEM) based FEM structural solver (with multibody capabilities) to perform the complete aeroelastic simulation of a steam turbine bladed disk, propellers, fan blades, aircraft wing etc. The partitioned based coupling approach is used for fluid-structure interaction (FSI). The numerical results are compared with experimental data for different test cases and for the blade cascade test case, experimental data is obtained from in-house lab experiments at IT CAS. Furthermore, the results from the new aeroelastic model will be compared with classical CFD-CSD based aeroelastic models. The proposed methodology for the aeroelastic stability analysis of gas turbine or steam turbine blades, or propellers or fan blades will provide researchers and engineers a fast, cost-effective and efficient tool for aeroelastic (classical flutter) analysis for different design at preliminary design stage where large numbers of design iteration are required in short time frame.

Keywords: aeroelasticity, beam element method (BEM), discrete vortex particle method (DVM), classical flutter, fluid-structure interaction (FSI), panel method, reduce order aeroelastic model (ROAM), turbomachinery, viscous-inviscid coupling

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Authors: Mohd Ritzman Abdul Karim, Zhaohui Huang

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A current focus in seismic engineering practice is the development of seismic design approach that focuses on the performance-based design. Performance-based design aims to design the structures to achieve specified performance based on the damage limit states. This damage limit is more restrictive limit than life safety and needs to be carefully estimated to avoid damage in piers due to failure in transverse reinforcement. In this paper, a different perspective of damage limit states has been explored by integrating two damage control material limit state, concrete and reinforcement by introduced parameters such as expected yield stress of transverse reinforcement where peak tension strain prior to bar buckling is introduced in a recent study. The different perspective of damage limit states with modified yield displacement and the modified plastic-hinge length is used in order to predict damage-control target displacement for reinforced concreate (RC) bridge pier. Three-dimensional (3D) finite element (FE) model has been developed for estimating damage target displacement to validate proposed damage limit states. The result from 3D FE analysis was validated with experimental study found in the literature. The validated model then was applied to predict the damage target displacement for RC bridge pier and to validate the proposed study. The tensile strain on reinforcement and compression on concrete were used to determine the predicted damage target displacement and compared with the proposed study. The result shows that the proposed damage limit states were efficient in predicting damage-control target displacement consistent with FE simulations.

Keywords: damage-control target displacement, damage limit states, reinforced concrete bridge pier, yield displacement

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Authors: Maria Tagarelli De Monte

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In 2021, the passage of the law recognizing Italian Sign Language (LIS) as the language of the Italian deaf minority was the input for including this visual-gestural language in the curricula of interpreters and translators choosing the academic setting for their training. Yet, a gap remains concerning LIS education of teachers and communication assistants as referring figures for people who are deaf or hard of hearing in mainstream education. As well documented in the related scientific literature, deaf children often experience severe difficulties with the languages spoken in the country where they grow up, manifesting in all levels of literacy competence. In the research introduced here, the experience of deaf students (and their teachers) attending schools is explored in areas that are characterized by strong native bilingualism, such as Friuli-Venezia Giulia (FVG), facing Italian Northeast borders. This region is peculiar as the native population may be bilingual Italian and Friulian (50% of the local population), German, and/or Slovenian. The research involved all schools of all levels in Friuli to understand the relationship between the language skills expressed by teachers and those shown by deaf learners with a background in sign language. In addition to collecting specific information on the degree of preparation of teachers in deaf-related matters and LIS, the research has allowed to highlight the role, often poorly considered, covered by the communication assistants who work alongside deaf students. On several occasions, teachers and assistants were unanimous in affirming the importance of mutual collaboration and adequate consideration of the educational-rehabilitative history of the deaf child and her family. The research was based on a mixed method of structured questionnaires and semi-structured interviews with the referring teachers. As a result, a varied and complex framework emerged, showing an asymmetry in preparing personnel dedicated to the deaf learner. Considering how Italian education has long invested in creating an inclusive and accessible school system (i.e. with the "Ten Theses for Democratic Language Education"), a constructive analysis will complete the discussion in an attempt to understand how linguistic (and modal) differences can become levers of inclusion.

Keywords: FVG, LIS, linguistic needs, deafness, teacher education, bilingual bimodal children, communication assistants, inclusion model

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Authors: Dibyendu Roy, V. Ramu Reddy, Parijat Deshpande, Ranjan Dasgupta

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Imaging of underwater objects is primarily conducted by acoustic imagery due to the severe attenuation of electro-magnetic waves in water. Acoustic imagery underwater has varied range of significant applications such as side-scan sonar, mine hunting sonar. It also finds utility in other domains such as imaging of body tissues via ultrasonography and non-destructive testing of objects. In this paper, we explore the feasibility of using active acoustic imagery in air and simulate phased array beamforming techniques available in literature for various array designs to achieve a suitable acoustic sensor array design for a portable mobile robot which can be applied to detect the presence/absence of anomalous objects in a room. The multi-path reflection effects especially in enclosed rooms and environmental noise factors are currently not simulated and will be dealt with during the experimental phase. The related hardware is designed with the same feasibility criterion that the developed system needs to be deployed on a portable mobile robot. There is a trade of between image resolution and range with the array size, number of elements and the imaging frequency and has to be iteratively simulated to achieve the desired acoustic sensor array design. The designed acoustic imaging array system is to be mounted on a portable mobile robot and targeted for use in surveillance missions for intruder alerts and imaging objects during dark and smoky scenarios where conventional optic based systems do not function well.

Keywords: acoustic sensor array, acoustic imagery, anomaly detection, phased array beamforming

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Authors: Sameh S. Namnqani, Yaqoob Y. Abobakar, Ahmed M. Alsewehri, Khaled M. AlQethami

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The main objective of this research is to know the impact of the application of the electronic supply system on the performance of the supply department of health organizations. To reach this goal, the study adopted independent variables to measure the dependent variable (performance of the supply department), namely: integration with suppliers, integration with intermediaries and distributors and knowledge of supply size, inventory, and demand. The study used the descriptive method and was aided by the questionnaire tool that was distributed to a sample of workers in the Supply Chain Management Department of King Abdullah Medical City. After the statistical analysis, the results showed that: The 70 sample members strongly agree with the (electronic integration with suppliers) axis with a p-value of 0.001, especially with regard to the following: Opening formal and informal communication channels between management and suppliers (Mean 4.59) and exchanging information with suppliers with transparency and clarity (Mean 4.50). It also clarified that the sample members agree on the axis of (electronic integration with brokers and distributors) with a p-value of 0.001 and this is represented in the following elements: Exchange of information between management, brokers and distributors with transparency, clarity (Mean 4.18) , and finding a close cooperation relationship between management, brokers and distributors (Mean 4.13). The results also indicated that the respondents agreed to some extent on the axis (knowledge of the size of supply, stock, and demand) with a p-value of 0.001. It also indicated that the respondents strongly agree with the existence of a relationship between electronic procurement and (the performance of the procurement department in health organizations) with a p-value of 0.001, which is represented in the following: transparency and clarity in dealing with suppliers and intermediaries to prevent fraud and manipulation (Mean 4.50) and reduce the costs of supplying the needs of the health organization (Mean 4.50). From the results, the study recommended several recommendations, the most important of which are: that health organizations work to increase the level of information sharing between them and suppliers in order to achieve the implementation of electronic procurement in the supply management of health organizations. Attention to using electronic data interchange methods and using modern programs that make supply management able to exchange information with brokers and distributors to find out the volume of supply, inventory, and demand. To know the volume of supply, inventory, and demand, it recommended the application of scientific methods of supply for storage. Take advantage of information technology, for example, electronic data exchange techniques and documents, where it can help in contact with suppliers, brokers, and distributors, and know the volume of supply, inventory, and demand, which contributes to improving the performance of the supply department in health organizations.

Keywords: healthcare supply chain, performance, electronic system, ERP

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Authors: Matthias Feiner, Francisco Javier Fernández García, Michael Arneman, Martin Kipfmüller

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To ensure reliability in miniaturized devices or processes with increased heat fluxes, very efficient cooling methods have to be employed in order to cope with small available cooling surfaces. To address this problem, a certain type of evaporator/heat exchanger was developed: It is called a swirl evaporator due to its flow characteristic. The swirl evaporator consists of a concentrically eroded screw geometry in which a capillary tube is guided, which is inserted into a pocket hole in components with high heat load. The liquid refrigerant R32 is sprayed through the capillary tube to the end face of the blind hole and is sucked off against the injection direction in the screw geometry. Its inner diameter is between one and three millimeters. The refrigerant is sprayed into the pocket hole via a small tube aligned in the center of the bore hole and is sucked off on the front side of the hole against the direction of injection. The refrigerant is sucked off in a helical geometry (twisted flow) so that it is accelerated against the hot wall (centrifugal acceleration). This results in an increase in the critical heat flux of up to 40%. In this way, more heat can be dissipated on the same surface/available installation space. This enables a wide range of technical applications. To optimize the design for the needs in various fields of industry, like the internal tool cooling when machining nickel base alloys like Inconel 718, a correlation-based model of the swirl-evaporator was developed. The model is separated into 3 subgroups with overall 5 regimes. The pressure drop and heat transfer are calculated separately. An approach to determine the locality of phase change in the capillary and the swirl was implemented. A test stand has been developed to verify the simulation.

Keywords: helically-shaped, oil-free, R-32, swirl-evaporator, twist-flow

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Authors: Oscar Guerra

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Educational technologies have great potential as tools for student empowerment, particularly for members of a marginalized population such as immigrant Latino children in the American public education system. It is not merely a matter of access to the necessary technological devices; rather, it is development and implementation under a critical lens that may prompt a positive change.

Keywords: education, critical technologies, minorities, higher education

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Authors: Chanya Inprasit, Ching-Liang Hsieh, Yi-Wen Lin

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Obesity (OB) is a hazardous global health problem that has been increasing in prevalence, more severely in last decade. It is the mainly resultant from the imbalance between food consumption and energy expenditure, which is concordant with a modern lifestyle, implying an increase in calories with poorer quality of food intake accompanied by a decrease in physical activities. Obesity does not concern the appearance only but is also a major factor contributing to poor physiology, psychology, society and economic issues. Moreover, OB induces low-grade inflammation in the body through the regulatory effect it enacts on the adipocyte function. Various alternative treatments were investigated for body weight control, including Acupoint Catgut Embedding (ACE). ACE is the implantation of absorbable catgut sutures at specific acupoints, displaying durable and potent stimulation and thereby reducing the treatment frequency. Our study utilized a mouse model to exclude any psychological factors of OB and ACE treatment. High-fat diet and body weight were measured once a week before subjects in ACE and Sham group received the ACE treatment or placebo treatment. We hypothesized that ACE can control body weight through the interaction of the TRPV1 pathways, as TRPV1 accordingly responds to inflammatory factors. The results of body weight variation show a significant decrease in body weight in ACE group compared with the baseline of control and Sham group. Meanwhile, converse results were explored in TRPV1 knockout mice, where a significant maintenance of normal body weight throughout the experiment period was observed. There was no significant difference in food consumption of each group. These finding indicated that TRPV1 pathways and its associated pathways may be involved in the maintenance of body weight, which can be controlled by ACE treatment of genetic manipulation.

Keywords: acupoint catgut embedding, obesity, hypothalamus, TRPV1

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Authors: Shiliang Wu, Huanxin Zhang

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Mercury has been well-known for its negative effects on wildlife, public health as well as the ecosystem. Once emitted into atmosphere, mercury can be transformed into different forms or enter the ecosystem through dry deposition or wet deposition. Some fraction of the mercury will be reemitted back into the atmosphere and be subject to the same cycle. In addition, the relatively long lifetime of elemental mercury in the atmosphere enables it to be transported long distances from source regions to receptor regions. Global change such as climate change and land use/land cover change impose significant challenges for mercury pollution control besides the efforts to regulate mercury anthropogenic emissions. In this study, we use a global chemical transport model (GEOS-Chem) to examine the potential impacts from changes in climate and land use/land cover on the global budget of mercury as well as its atmospheric transport, chemical transformation, and deposition. We carry out a suite of sensitivity model simulations to separate the impacts on atmospheric mercury associated with changes in climate and land use/land cover. Both climate change and land use/land cover change are found to have significant impacts on global mercury budget but through different pathways. Land use/land cover change primarily increase mercury dry deposition in northern mid-latitudes over continental regions and central Africa. Climate change enhances the mobilization of mercury from soil and ocean reservoir to the atmosphere. Also, dry deposition is enhanced over most continental areas while a change in future precipitation dominates the change in mercury wet deposition. We find that 2000-2050 climate change could increase the global atmospheric burden of mercury by 5% and mercury deposition by up to 40% in some regions. Changes in land use and land cover also increase mercury deposition over some continental regions, by up to 40%. The change in the lifetime of atmospheric mercury has important implications for long-range transport of mercury. Our case study shows that changes in climate and land use and cover could significantly affect the source-receptor relationships for mercury.

Keywords: mercury, toxic pollutant, atmospheric transport, deposition, climate change

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Authors: Mogale T. E., Ayisi K. K., Munjonji L., Kifle Y. G.

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Grain sorghum and cowpea are important staple crops in many areas of South Africa, particularly the Limpopo Province. The two crops are produced under a wide range of unsustainable conventional methods, which reduces productivity in the long run. Climate-smart traditional methods such as intercropping can be adopted to ensure sustainable production of these important two crops in the province. A no-tillage field experiment was laid out in a randomised complete block design (RCBD) with four replications over two seasons in two distinct agro-ecological zones, Syferkuil and Ofcolacoin, the province to assess the productivity of sorghum-cowpea intercropped under two cowpea densities.LCi Ultra compact photosynthesis machine was used to collect photosynthetic rate data biweekly between 11h00 and 13h00 until physiological maturity. Biomass and grain yield of the component crops in binary and sole cultures were determined at harvest maturity from middle rows of 2.7 m2 area. The biomass was oven dried in the laboratory at 65oC till constant weight. To obtain grain yield, harvested sorghum heads and cowpea pods were threshed, cleaned, and weighed. Harvest index (HI) and land equivalent ratio (LER) of the two crops were calculated to assess intercrop productivity relative to sole cultures. Data was analysed using the statistical analysis software system (SAS) 9.4 version, followed by mean separation using the least significant difference method. The photosyntheticrate of sorghum-cowpea intercrop was influenced by cowpea density and sorghum cultivar. Photosynthetic rate under low density was higher compared to high density, but this was dependent on the growing conditions. Dry biomass accumulation, grain yield, and harvest index differed among the sorghum cultivars and cowpea in both binary and sole cultures at the two test locations during the 2018/19 and 2020/21 growing seasons. Cowpea grain and dry biomass yields werein excess of 60% under high density compared to low density in both binary and sole cultures. The results revealed that grain yield accumulation of sorghum cultivars was influenced by the density of the companion cowpea crop as well as the production season. For instant, at Syferkuil, Enforcer and Ns5511 accumulated high yield under low density, whereas, at Ofcolaco, the higher yield was recorded under high density. Generally, under low cowpea density, cultivar Enforcer produced relatively higher grain yield whereas, under higher density, Titan yield was superior. The partial and total LER varied with growing season and the treatments studied. The total LERs exceeded 1.0 at the two locations across seasons, ranging from 1.3 to 1.8. From the results, it can be concluded that resources were used more efficiently in sorghum-cowpea intercrop at both Syferkuil and Ofcolaco. Furthermore, intercropping system improved photosynthetic rate, grain yield, and dry matter accumulation of sorghum and cowpea depending on growing conditions and density of cowpea. Hence, the sorghum-cowpea intercropping system can be adopted as a climate-smart practice for sustainable production in the Limpopo province.

Keywords: cowpea, climate-smart, grain sorghum, intercropping

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Authors: G. Raviraja Shetty, K. G. Poojitha, Pranay Kumar

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Biodiversity refers to the numbers, variety and variability of living organisms and ecosystem. The climatic and altitudinal variations, coupled with varied ecological habitats of this country, have contributed to the development of immensely rich vegetation with a unique diversity in medicinal plants which provides an important source of medicinal raw materials for traditional medicine systems as well as for pharmaceutical industries in the country and abroad. World Health Organization has listed over 21000 plant species used around the world for medicinal purpose. In India, about 2500 plant species are being used in indigenous system of medicine. The red data book lists 427 Indian Medicinal plant entries on endangered species, of which 28 are considered extinct, 124 endangered, 81 rare, and 34 insufficiently known. It is abundantly clear from the experience of all govt agencies that on their own they cannot efficiently conserve the biodiversity. Participatory Approach with the involvement of local people in conservation is found to be more effective these days. Involvement of local people reduces the cost involved in conservation. Local communities have long tradition of resource use in particular area, hold in depth knowledge and experience of plant which can be invaluable for conservation efforts.Medicinal plants occupy a vital sector of health care system in India and represent a major national resource.There is an immense need for conservation of diversity of medicinal plant wealth for the present and fore coming generations, by adapting the suitable strategy with most appropriate method of conservation.

Keywords: conservation, biodiversity, participatory, medicinal plants

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Authors: Meng Qing Feng, Otsile Morake

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Background: Successful implementation of the COVID-19 vaccination ensures the prevention of virus infection. Postponement and refusal of the vaccination will threaten public health, which is now common among the general public across the world. In addition, an acceptance of the COVID-19 vaccine appears as a decisive factor in controlling the COVID-19 pandemic. Purpose: This study's objective is to explore the factors influencing the public intention to be vaccinated (ITBV). Design/methodology/approach: The web-based survey included socio-demographics and questions related to the theory of planned behavior (TPB) and the health belief model (HBM). An online survey was administered using Google Form to collect data from participants of Botswana. The sample included 339 participants, half-half of the participants were female. Data analysis was run using the Statistical Package for the Social Sciences (SPSS). Findings: The study results highlight that perceived severity, perceived barriers, health motivation, and attitude have a positive and significant effect on ITBV, while perceived susceptibility, benefits, subjective norms, and perceived behavior control do not affect ITBV. Among all of the predictors, perceived barriers have the most significant influence on ITBV. Conclusion: Theoretically, this research stated that both HBM and TPB are effective in predicting and explaining the general public ITBV. Practically, this study offers insights to the government and health departments to arrange and launch health awareness programs and provide a better guide to vaccination so that doubts about vaccine confidence and the level of uncertainty can be decreased.

Keywords: COVID-19, Omicron, intention to be COVID-19 vaccine, health behavior model, theory of planned behavior, Botswana

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Authors: Nadhifah A. Nugraha, Dida D. Damayanti, Widia Juliani

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Airplanes manufacturing is growing along with the increasing demand from consumers. The helicopter's tail called Tailboom is a product of the helicopter division at XYZ Corp, where the Tailboom assembly line is a pull system. Based on observations of existing conditions that occur at XYZ Corp, production is still unable to meet the demands of consumers; lead time occurs greater than the plan agreed upon by the consumers. In the assembly process, each work station experiences a lack of parts and components needed to assemble components. This happens because of the delay in getting the required part information, and there is no warning about the availability of parts needed, it makes some parts unavailable in assembly warehouse. The lack of parts and components from the previous work station causes the assembly process to stop, and the assembly line also stops at the next station. In its completion, the production time was late and not on the schedule. In resolving these problems, the controlling process is needed, which is controlling the assembly line to get all components and subassembly in the right amount and at the right time. This study applies one of Just In Time tools, namely Kanban and automation, should be added as efficiently and effectively communication line becomes electronic Kanban. The problem can be solved by reducing non-value added time, such as waiting time and idle time. The proposed results of controlling the assembly line of Tailboom result in a smooth assembly line without waiting, reduced lead time, and achieving production time according to the schedule agreed with the consumers.

Keywords: kanban, e-Kanban, lead time, pull system

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Authors: Gaurav Kumar Sinha

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The oil and gas industry is a critical component of the global economy, relying heavily on industrial control systems (ICS) to manage and monitor operations. However, these systems are increasingly becoming targets for cyber-attacks, posing significant risks to operational continuity, safety, and environmental integrity. This paper explores comprehensive cybersecurity strategies for protecting oil and gas industrial control systems. It delves into the unique vulnerabilities of ICS in this sector, including outdated legacy systems, integration with IT networks, and the increased connectivity brought by the Industrial Internet of Things (IIoT). We propose a multi-layered defense approach that includes the implementation of robust network security protocols, regular system updates and patch management, advanced threat detection and response mechanisms, and stringent access control measures. We illustrate the effectiveness of these strategies in mitigating cyber risks and ensuring the resilient and secure operation of oil and gas industrial control systems. The findings underscore the necessity for a proactive and adaptive cybersecurity framework to safeguard critical infrastructure in the face of evolving cyber threats.

Keywords: cybersecurity, industrial control systems, oil and gas, cyber-attacks, network security, IoT, threat detection, system updates, patch management, access control, cybersecurity awareness, critical infrastructure, resilience, cyber threats, legacy systems, IT integration, multi-layered defense, operational continuity, safety, environmental integrity

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Authors: Michel Patiño-Sáenz, Martín Haissiner, Jorge Martínez-Cotrina, Daniel Pastor, Hernando Santamaría-García, Maria-Alejandra Tangarife, Agustin Ibáñez, Sandra Baez

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It has been shown that gruesome descriptions of harm can increase the punishment given to a transgressor. This biasing effect is mediated by negative emotions, which are elicited upon the presentation of gruesome descriptions. However, there is a lack of studies inquiring the influence of such descriptions on moral decision-making in people involved in the criminal justice system. Such populations are of special interest since they have experience dealing with gruesome evidence, but also formal education on how to assess evidence and gauge the appropriate punishment according to the law. Likewise, they are expected to be objective and rational when performing their duty, because their decisions can impact profoundly people`s lives. Considering these antecedents, the objective of this study was to explore the influence gruesome written descriptions on moral decision-making in this group of people. To that end, we recruited attorneys, judges and public prosecutors (Criminal justice group, CJ, n=30) whose field of specialty is criminal law. In addition, we included a control group of people who did not have a formal education in law (n=30), but who were paired in age and years of education with the CJ group. All participants completed an online, Spanish-adapted version of a moral decision-making task, which was previously reported in the literature and also standardized and validated in the Latin-American context. A series of text-based stories describing two characters, one inflicting harm on the other, were presented to participants. Transgressor's intentionality (accidental vs. intentional harm) and language (gruesome vs. plain) used to describe harm were manipulated employing a within-subjects and a between-subjects design, respectively. After reading each story, participants were asked to rate (a) the harmful action's moral adequacy, (b) the amount of punishment deserving the transgressor and (c) how damaging was his behavior. Results showed main effects of group, intentionality and type of language on all dependent measures. In both groups, intentional harmful actions were rated as significantly less morally adequate, were punished more severely and were deemed as more damaging. Moreover, control subjects deemed more damaging and punished more severely any type of action than the CJ group. In addition, there was an interaction between intentionality and group. People in the control group rated harmful actions as less morally adequate than the CJ group, but only when the action was accidental. Also, there was an interaction between intentionality and language on punishment ratings. Controls punished more when harm was described using gruesome language. However, that was not the case of people in the CJ group, who assigned the same amount of punishment in both conditions. In conclusion, participants with job experience in the criminal justice system or criminal law differ in the way they make moral decisions. Particularly, it seems that they are less sensitive to the biasing effect of gruesome evidence, which is probably explained by their formal education or their experience in dealing with such evidence. Nonetheless, more studies are needed to determine the impact this phenomenon has on the fulfillment of their duty.

Keywords: criminal justice system, emotions, gruesome descriptions, intentionality, moral decision-making

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Authors: Md. Wasiul Islam, Md. Jamius Shams Sowrov

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The Sundarbans is the largest single tract of mangrove forest in the world. This is located in the southwest corner of Bangladesh. This is a unique ecosystem which is a great breeding and nursing ground for a great biodiversity. It supports the livelihood of about 3.5 million coastal dwellers and also protects the coastal belt and inland areas from various natural calamities. Historically, the management of the Sundarbans was controlled by the Bangladesh Forest Department following top-down approach without the involvement of local communities. Such fence and fining-based blue-print approach was not effective to protect the forest which caused Sundarbans to degrade severely in the recent past. Fifty percent of the total tree cover has been lost in the last 30 years. Therefore, local multi-stakeholder based bottom-up co-management approach was introduced at some of the parts of the Sundarbans in 2006 to improve the biodiversity status by enhancing the protection level of the forest. Various co-management organizations were introduced under co-management approach where the local community people could actively involve in various activities related to the management and welfare of the Sundarbans including the decision-making process to achieve the goal. From this backdrop, the objective of the study was to assess the performance of co-management organizations to facilitate sustainable management of the Sundarbans mangrove forests. The qualitative study followed face-to-face interview to collect data using two sets of semi-structured questionnaires. A total of 40 respondents participated in the research that was from eight villagers under two forest ranges. 32 representatives from the local communities as well as 8 official representatives involved in co-management approach were interviewed using snowball sampling technique. The study shows that the co-management approach improved governance system of the Sundarbans through active participation of the local community people and their interactions with the officials via the platform of co-management organizations. It facilitated accountability and transparency system to some extent through following some formal and informal rules and regulations. It also improved the power structure of the management process by fostering local empowerment process particularly the women. Moreover, people were able to learn from their interactions with and within the co-management organizations as well as interventions improved environmental awareness and promoted social learning. The respondents considered good governance as the most important factor for achieving the goal of sustainable management and biodiversity conservation of the Sundarbans. The success of co-management planning process also depends on the active and functional participation of different stakeholders including the local communities where co-management organizations were considered as the most functional platform. However, the governance system was also facing various challenges which resulted in barriers to the sustainable management of the Sundarbans mangrove forest. But still there were some members involved in illegal forest operations and created obstacles against sustainable management of the Sundarbans. Respondents recommended greater patronization from the government, financial and logistic incentives for alternative income generation opportunities with effective participatory monitoring and evaluation system to improve sustainable management of the Sundarbans.

Keywords: Bangladesh, co-management approach, co-management organizations, governance, Sundarbans, sustainable management

Procedia PDF Downloads 172

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

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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

Procedia PDF Downloads 217