Search results for: ion exchange reactions

Authors: Seyed Sajjad Habibi

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The aim of this study is to investigate the impact of global financial crises and corporate financial crisis on tax evasion of companies listed on the Tehran Stock Exchange. For this purpose, panel data in the periods of financial crisis period (2007 to 2012) and without a financial crisis (2004, 2005, 2006, 2013, 2014, and 2015) was analyzed using multivariate linear regression. The results indicate a significant relationship between the corporate financial crisis (bankruptcy risk) and tax evasion in the global financial crisis period. The results also showed a significant relationship between the corporate bankruptcy risk and tax evasion in the period with no global financial crisis. A significant difference was found between the bankruptcy risk and tax evasion in the period of the global financial crisis and that with no financial crisis so that tax evasion increased in the financial crisis period.

Keywords: global financial crisis, corporate financial crisis, bankruptcy risk, tax evasion risk, emerging markets

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Authors: Avigail Moor

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Rape and sexual assault have been widely linked to severe psychological sequelae, the recovery from which often requires professional help. Thanks to the current shift in societal attitudes towards sexual violence, the victim's perspective is increasingly being heard. The present study is yet another step in that direction. Through the investigation of what recovered survivors of sexual assault identify as the therapeutic interventions that most assisted them in overcoming their trauma, guidelines for optimal sexual assault treatment are established. These receive further support from a comparison with expert therapists as to what they view as being most conducive to recovery from rape. In-depth semi-structured interviews were conducted with 15 survivors who have experienced a successful course of therapy and 15 therapists with extensive expertise in the field. The results document considerable agreement between the two perspectives, which share much in common. First, irrespective of the specific techniques involved, both survivors and therapists placed the greatest importance on a respectful and validating therapeutic relationship, that operates to counter the dehumanization and degradation entailed in the assault. In addition, specific interventions were identified, which include the reprocessing of all rape-specific peri-traumatic reactions coupled with the intentional countering of their consequences within the therapeutic relationship. Together, these reports provide a detailed account of post-rape treatment needs and the interventions required for their effective resolution.

Keywords: sexual assault, rape, treatment efficacy, survivors

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Authors: N. Zandi, M. Sitarz, J. Jastrzebski, M. Vagheian, J. Choinski, A. Stolarz, A. Trzcinska

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¹³⁵La with the half-life of 19.5 h can be considered as a good candidate for Auger therapy. ¹³⁵La decays almost 100% by electron capture to the stable ¹³⁵Ba. In this study, all important possible reactions leading to ¹³⁵La production are investigated in details, and the corresponding theoretical yield for each reaction using the Monte-Carlo method (MCNPX code) are presented. Among them, the best reaction based on the cost-effectiveness and production yield regarding Poland facilities equipped with medical cyclotron has been selected. ¹³⁵La is produced using 16.5 MeV proton beam of general electric PET trace cyclotron through the ¹³⁵Ba(p,n)¹³⁵La reaction. Moreover, for a consistent facilitating comparison between the theoretical calculations and the experimental measurements, the beam current and also the proton beam energy is measured experimentally. Then, the obtained proton energy is considered as the entrance energy for the theoretical calculations. The production yield finally is measured and compared with the results obtained using the MCNPX code. The results show the experimental measurement and the theoretical calculations are in good agreement.

Keywords: efficient ¹³⁵La production, proton cyclotron energy measurement, MCNPX code, theoretical and experimental production yield

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Authors: Daniel Nieto, Ramiro Couceiro

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Microfluidic chips have demonstrated their significant application potentials in microbiological processing and chemical reactions, with the goal of developing monolithic and compact chip-sized multifunctional systems. Heat generation and thermal control are critical in some of the biochemical processes. The paper presents a laser direct-write technique for rapid prototyping and manufacturing of microheater chips and its applicability for perfusion cell culture outside a cell incubator. The aim of the microheater is to take the role of conventional incubators for cell culture for facilitating microscopic observation or other online monitoring activities during cell culture and provides portability of cell culture operation. Microheaters (5 mm × 5 mm) have been successfully fabricated on soda-lime glass substrates covered with aluminum layer of thickness 120 nm. Experimental results show that the microheaters exhibit good performance in temperature rise and decay characteristics, with localized heating at targeted spatial domains. These microheaters were suitable for a maximum long-term operation temperature of 120ºC and validated for long-time operation at 37ºC. for 24 hours. Results demonstrated that the physiology of the cultured SW480 adenocarcinoma of the colon cell line on the developed microheater chip was consistent with that of an incubator.

Keywords: laser microfabrication, microheater, bioengineering, cell culture

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Authors: Magy Magdy Danial Riad

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Introduction: Glycosides: Enzymatic and hydrolysis reactions of glycosides, mechanism of action, SAR, therapeutic uses and toxicity of glycosides. Cardiac glycosides of digitalis, bufa and squill. Structure of salicin, hesperidin and rutin. Glycosides are certain molecules in which a sugar part is bound to some other part. Glycosides play numerous important roles in living organisms. Formally, a glycoside is any molecule in which a sugar group is bonded through its anomeric carbon to another group and form glycosidic bonds via an O-glycosidic bond or an S-glycosidic bond; glycosides involving the latter are also called thioglycosides. The purpose: the addition of sugar be bonded to a non-sugar for the molecule to qualify as a glycoside, The sugar group is then known as the glycone and the non-sugar group as the aglycone or genin part of the glycoside. The glycone can consist of a single sugar group (monosaccharide) or several sugar groups (oligosaccharide). The glycone and aglycone portions can be chemically separated by hydrolysis in the presence of acid. Methods: There are also numerous enzymes that can form and break glycosidic bonds. Results: The most important cleavage enzymes are the glycoside hydrolases, and the most important synthetic enzymes in nature are glycosyltransferases. Mutant enzymes termed glycosynthases have been developed that can form glycosidic bonds. Conclusions: There are a great many ways to chemically synthesize glycosidic bonds.

Keywords: glycosides, bufa, squill, thioglycosides

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Authors: Maryam Saeidi, Ehsan Motamedian, Seyed Abbas Shojaosadati

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Zymomonas mobilis is known as an example of the uncoupled growth phenomenon. This microorganism also has a unique metabolism that degrades glucose by the Entner–Doudoroff (ED) pathway. In this paper, a genome-scale metabolic model including 434 genes, 757 reactions and 691 metabolites was reconstructed to simulate uncoupled growth and study its effect on flux distribution in the central metabolism. The model properly predicted that ATPase was activated in experimental growth yields of Z. mobilis. Flux distribution obtained from model indicates that the major carbon flux passed through ED pathway that resulted in the production of ethanol. Small amounts of carbon source were entered into pentose phosphate pathway and TCA cycle to produce biomass precursors. Predicted flux distribution was in good agreement with experimental data. The model results also indicated that Z. mobilis metabolism is able to produce biomass with maximum growth yield of 123.7 g (mol glucose)-1 if ATP synthase is coupled with growth and produces 82 mmol ATP gDCW-1h-1. Coupling the growth and energy reduced ethanol secretion and changed the flux distribution to produce biomass precursors.

Keywords: genome-scale metabolic model, Zymomonas mobilis, uncoupled growth, flux distribution, ATP dissipation

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Authors: Nodi Islam

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This paper critically reads Richard Powers’ novel The Echo Maker to read and understand the personal traumas of the characters in the novel depending on the various situations they face throughout the story. Also, the paper attempts to read different traumas and disorders due to their different situations. With a focus on the individual experiences, this paper addresses the core issues of trauma, which triggers their reactions and reads the novel through theories of Freud, Caruth, and other critics in this field. While transcending the boundary of personal and collective trauma, this paper suggests that traumas not only arise from the core mental issues, from both past or present memories; it also depends on places too which can be called, according to Yi-Fu Tuan, topophobia. Intimate places such as home provoke not only attachment and expectation but also produce fear in a person. Failure in identifying with such places means losing a central piece of identity of the individual. In order to analyse the traumas in the novel, the characters’ association with homes and places has been provided. This paper attempts to suggest that people are not traumatised because of what Freud explained as unpleasant memories of the past but also intimacy and lost identities related to a place can trigger trauma.

Keywords: spatial trauma, traumatic stress disorder, identity and place, core mental issues

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Authors: Mahdi Alkaeed, Adeel Ehsan

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Enterprise information systems (EIS) act as the backbone of organizations that belong to different domains. These systems not only play a major role in the efficient usage of resources and time but also throw light on the future roadmap for the enterprise. In today's rapidly expanding world of business and technology, enterprise systems from various heterogenous environments have to exchange information at some point, be it within the same organization or between different organizations. This reality strengthens the importance of interoperability between these systems, which is one of the key enablers of systems collaboration. Both information technology infrastructure and business processes have to be aligned with each other to achieve this effect. This will be difficult to attain if traditional tightly coupled architecture is used. Instead, a more loosely coupled service-oriented architecture has to be used. That would enable an effective interoperability level between different EIS. This paper discusses and presents the current work that has been done in the field of EIS interoperability. Along the way, it also discusses the challenges, solutions to tackle those challenges presented in the studied literature, and limitations, if any.

Keywords: enterprise systems interoperability, collaboration and integration, service-based architecture, open system architecture

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Authors: Christopher I. Ifeacho, Adeleke Omolade

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The paper examines the relationship between energy price dynamics and green growth in Sub Sahara African Countries. The quest for adopting green energy in order to improve green growth that can engender sustainability and stability has received more attention from researchers in recent times. This study uses a panel autoregressive distributed lag approach to investigate this relationship. Findings from the result showed that energy price dynamics and exchange rates have more short-run significant impacts on green growth in individual countries rather than the pooled result. Furthermore, the long-run result confirmed that inflation and capital have a significant long-run relationship with green growth. The causality test result revealed the existence of a bi-directional relationship between green growth and energy price dynamics. The study recommends caution in a currency devaluation and improvement in renewable energy production in the Sub Sahara Africa in order to achieve sustainable green growth.

Keywords: green growth, energy price dynamics, Sub Saharan Africa, relationship

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Authors: S. Hehni Meidani Behzad, Mokhtari Karchegani Amir, Mabodi Samad

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There are some TLE (Transfer Line Exchanger) that their lifetime reduced to 4 years instead of 30 years and after 4 years, we saw corroded area on one part of those T.L.E. that named Oval header and this happened in condition that other parts of those TLE were safe and perfect. By using of thickness measurement devices, we find that thickness reduces unusually on that part and after research and doing computer analysis with fluent software, it was recognized that on that part, we have high temperature and when this out of range temperature adds to bad quality of water, corrosion increased with high rate on that part and after more research it became obviously that it case by more excess air in furnace that located before this T.L.E. that this more air case to consuming more fuel to reach same furnace temperature so it concluded that inner coil fluid temperature increased and after received to T.L.E, this case happened and deflector condition, creep in coil and material analysis confirmed that condition.

Keywords: Transfer Line Exchanger (TLE), CFD, corrosion, erosion, tube, oval header

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Authors: Desere Kokt

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Hospitality establishments worldwide are bearing the brunt of the effects of Covid-19. As the hospitality industry is looking to recover, emphasis is placed on rejuvenating the industry. This is especially pertinent for economic development in areas of high unemployment, such as the Free State province of South Africa. The province is not a main tourist area and thus depends on the influx of tourists. The province has great scenic beauty with many accommodation establishments that provide job opportunities to the local population. The two main economic hubs of the Free State province namely Bloemfontein and Clarens, were the focus of the investigation. The emphasis was on graded accommodation establishments as they must adhere to the quality principles of the Tourism Grading Council of South Africa (TGCSA) to obtain star grading. The hospitality industry is known for being labour intensive, and employees need to be available to cater for the needs of paying customers. This is referred to as ‘emotional labour’ and implies that employees need to manage their feelings and emotions as part of performing their jobs. The focus of this study was thus on psychological factors related to working in the hospitality industry – specifically psychological contract and psychological capital and its impact on the commitment of employees in graded accommodation establishments. Employee commitment can be explained as a psychological state that binds the individual to the organisation and involves a set of psychological relationships that include affective (emotions), normative (perceived obligation) and continuance (staying with the organisation) dimensions. Psychological contract refers to the reciprocal beliefs and expectations between the employer and the employee and consists of transactional and rational contracts. Transactional contracts are associated with the economic exchange, and contractional issues related to the employment contract and rational contracts relate to the social exchange between the employee and the organisation. Psychological capital refers to an individual’s positive psychology state of development that is characterised by self-efficiency (having confidence in doing one’s job), optimism (being positive and persevering towards achieving one’s goals), hope (expectations for goals to succeed) and resilience (bouncing back to attain success when beset by problems and adversity). The study employed a quantitative research approach, and a structured questionnaire was used to gather data from respondents. The study was conducted during the Covid-19 pandemic, which hampered the data gathering efforts of the researchers. Many accommodation establishments were either closed or temporarily closed, which meant that data gathering was an intensive and laborious process. The main researcher travelled to the various establishments to collect the data. Nine hospitality establishments participated in the study, and around 150 employees were targeted for data collection. Ninety-two (92) questionnaires were completed, which represents a response rate of 61%. Data were analysed using descriptive and inferential statistics, and partial least squares structural equation modelling (PLS-SEM) was applied to examine the relationship between the variables.

Keywords: employee commitment, hospitality industry, psychological contract, psychological capital

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Authors: Andrés I. Ávila, Patricia Aros, César San Martín, Elizabeth Kehr, Yovana Leal

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Planning models for fresh products is a very useful tool for improving the net profits. To get an efficient supply chain model, several functions should be considered to get a complete simulation of several operational units. We consider a linear programming model to help farmers to decide if it is convenient to choose what area should be planted for three kinds of export fruits considering their future investment. We consider area, investment, water, productivity minimal unit, and harvest restrictions to develop a monthly based model to compute the average income in five years. Also, conditions on the field as area, water availability, and initial investment are required. Using the Chilean costs and dollar-peso exchange rate, we can simulate several scenarios to understand the possible risks associated to this market. Also, this tool help to support decisions for government and individual farmers.

Keywords: mixed integer problem, fresh fruit production, support decision model, agricultural and biosystems engineering

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Authors: Felix Boehnisch, Alexander Lutz

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Based on the number of users and the amount of content posted daily, Facebook is considered the largest social network in the world. This content includes images or text posts from companies but also private persons, which are also commented on by other users. However, it can sometimes be difficult for companies to keep track of all the posts and the reactions to them, especially when there are several posts a day that contain hundreds to thousands of comments. To facilitate this, the following paper deals with the possible applications of sentiment analysis to social media comments in order to be able to support the work in social media marketing. In a first step, post comments were divided into positive and negative by a subjective rating, then the same comments were checked for their polarity value by the two german python libraries TextBlobDE and SentiWS and also grouped into positive, negative, or even neutral. As a control, the subjective classifications were compared with the machine-generated ones by a confusion matrix, and relevant quality criteria were determined. The accuracy of both libraries was not really meaningful, with 60% to 66%. However, many words or sentences were not evaluated at all, so there seems to be room for optimization to possibly get more accurate results. In future studies, the use of these specific German libraries can be optimized to gain better insights by either applying them to stricter cleaned data or by adding a sentiment value to emojis, which have been removed from the comments in advance, as they are not contained in the libraries.

Keywords: Facebook, German libraries, polarity, sentiment analysis, social media comments

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Authors: Muthana A. M. Jamel Al-Gburi

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Elimination of carbon dioxide (CO2) gas from the atmosphere is very important but complicated since there is increasing in the amounts of carbon dioxide and other greenhouse gases in the atmosphere, which mainly caused by some of the human activities and the burning of fossil fuels. So that will lead to global warming. The global warming affects the earth temperature causing an increase to a higher level and, at the same time, creates tornadoes and storms. In this project, we are going to do a new technique for extracting carbon dioxide directly from the air and change it to useful minerals and Nano scale fibers made of carbon by using several chemical processes through chemical reactions. So, that could lead to an economical and healthy way to make some valuable building materials. Also, it may even work as a weapon against environmental change. In our device (Carbone Dioxide Domestic Extractor), we are using Ocean-seawater to dissolve the CO₂ gas and then converted it into carbonate minerals by using a number of additives like Shampoo, clay, and MgO. Note that the atmospheric air includes CO₂ gas, has circulated within the seawater by the air pump. More, that we will use a number of chemicals agents to convert the water acid into useful minerals. After we constructed the system, we did intense experiments and investigations to find the optimum chemical agent, which must be work at the environmental condition. Further to that, we will measure the solubility of CO₂ and other salts in the seawater.

Keywords: global warming, CO₂ gas, ocean-sea water, additives, solubility level

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Authors: S. Tunmee, P. Wongpanya, I. Toda, X. L. Zhou, Y. Nakaya, N. Konkhunthot, S. Arakawa, H. Saitoh

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The hydrogenated amorphous carbon films (a-C:H) were deposited on p-type Si (100) substrates at different thicknesses by radio frequency plasma enhanced chemical vapor deposition technique (rf-PECVD). Raman spectra display asymmetric diamond-like peaks, representative of the a-C:H films. The decrease of intensity ID/IG ratios revealed the sp3 content arise at different thicknesses of the a-C:H films. In terms of mechanical properties, the high hardness and elastic modulus values show the elastic and plastic deformation behaviors related to sp3 content in amorphous carbon films. Electro chemical properties showed that the a-C:H films exhibited excellent corrosion resistance in air-saturated 3.5 wt% NaCl solution for pH 2 at room temperature. Thickness increasing affected the small sp2 clusters in matrix, restricting the velocity transfer and exchange of electrons. The deposited a-C:H films exhibited excellent mechanical properties and corrosion resistance.

Keywords: thickness, mechanical properties, electrochemical corrosion properties, a-C:H film

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Authors: Peter Lindstrom, Caroline Gyberg, Scott Goodwin

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The Swedish police organisation was fundamentally reorganized in 2015 when 21 regional police forces were combined into one national police authority divided in 7 larger police regions, 35 police areas, and some 100 local police districts. A central theme for the reform was that local crime prevention policing should be more unified in the country. In this paper, we review crime prevention strategies in Sweden from a criminological and policing perspective focusing, among other things, on differences between urban and rural areas. In the crime prevention field, words such as 'knowledge- and evidence-based', 'collaboration', and 'strategies' are common. Our objective is to investigate the relationship between theoretical and practical knowledge in local crime prevention work. Our research indicate that an elaborated and strategic connection between theoretical and practical perspectives is important for successful local crime prevention work. Universities may provide a platform such knowledge exchange.

Keywords: crime prevention, police reform, urban and rural areas, criminological and policing perspectives

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Authors: C. Trapp, A. Vijay, M. Khorasani

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Decentralised micro-grids with sector coupling can combat the spatial and temporal intermittence of renewable energy by combining power, transportation and infrastructure sectors. Intelligent energy conversion concepts such as electrolysers, hydrogen engines and fuel cells combined with energy storage using intelligent batteries and hydrogen storage form the back-bone of such a system. This paper describes a micro-grid based on Photo-Voltaic cells, battery storage, innovative modular and scalable Anion Exchange Membrane (AEM) electrolyzer with an efficiency of up to 73%, high-pressure hydrogen storage as well as cutting-edge combustion-engine based Combined Heat and Power (CHP) plant with more than 85% efficiency at the university campus to address the challenges of decarbonization whilst eliminating the necessity for expensive high-voltage infrastructure.

Keywords: sector coupling, micro-grids, energy self-sufficiency, decarbonization, AEM electrolysis, hydrogen CHP

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Authors: Elgendy M. Eman, Sameeh Y. Manal

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Ginger (Zingiber officinale) is so important plant for its medicinal properties from ancient time and used as a spicy herb all over the world. This study was designed to examine the chemical composition of the essential oil and various crude extracts (n-hexane, chloroform and ethanol) of Zingiber officinale as well. GC–MS analyses of the essential oil resulted in the identification of 68 compounds,; 1,8-cineole (8.9%) and linalool (15.1%) were the main components in the essential oil .The crude extracts were analyzed with TLC plates and revealed several spots under UV light; however the hexane extract exhibited the highest number of spots compared to the other extracts. Hexane extract was selected for GC-MS profile, and the results revealed the presence of several volatile compounds and linalool was the major component with high percentage (11.4 %). Further investigation on the structure elucidation of the bioactive compound (linalool) using IR, GC-MS and NMR techniques compared to authenticated linalool then subjected to purification using preparative and column chromatography. Linalool has been epoxidized using m-chloroperbenzoicacid (mcpba) at room temperature in the presence of florescent lamps to give two cyclic oxygenated products (furan epoxide & pyran epoxide) as a stereospecific product.it is concluded that, oxidation process is enhanced by irradiation to form epoxide derivative, which acts as the precursor of important products.

Keywords: epoxide, ginger, irradiation, linalool

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Authors: Stepan Hysek, Petra Gajdacova

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In recent years, alternative materials, such as annual plants or recycled and waste materials are becoming more and more popular input material for the production of composite materials. They can be used for the production of insulation boards, construction boards or furniture boards. Surface finishing of those boards is essential for utilization in furniture. However, some difficulties could occur during coating of boards from alternative materials; physical and chemical differences from conventional particleboards need to be considered. From the physical aspects, surface soundness and surface roughness mainly determine the quality of the surface. Since surface layers of boards from alternative materials have often lower density, these characteristics could be deteriorated and thus the production process needs to be optimized. Also, chemical reactions of board’s material with coating could be undesirable. The objective of this study is to evaluate the parameters affecting the surface quality of boards made form alternative materials and to find possibilities of the coating of these boards. In this study, boards of particles from rapeseed stems were produced using a laboratory press. Surface soundness, as representatives of mechanical properties and surface roughness, as representative of physical properties, were measured on boards from rapeseed stems. Results clearly indicated that produced boards had lower surface quality than commercially produced particle boards from wood. Therefore, higher thickness of surface coating on rapeseed based boards is needed.

Keywords: coating, surface, annual plant, composites, particleboard

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Authors: Yasser Gaber, Mohamed Ismail, Serena Bisagni, Mohamad Takwa, Rajni Hatti-Kaul

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Enzymes are safe and selective catalysts. They skillfully catalyze chemical reactions; however, the native form is not usually suitable for industrial applications. Enzymes are therefore engineered by several techniques to meet the required catalytic task. Clopidogrel is recorded among the five best selling pharmaceutical in 2010 under the brand name Plavix. The commonly used route for production of the drug on an industrial scale is the synthesis of the racemic mixture followed by diastereomeric resolution to obtain the pure S isomer. The process consumes a lot of solvents and chemicals. We have evaluated a biocatalytic cleaner approach for asymmetric hydrolysis of racemic clopidogrel. Initial screening of a selected number of hydrolases showed only one enzyme EST to exhibit activity and selectivity towards the desired stereoisomer. As the crude EST is a mixture of several isoenzymes, a homology model of EST-1 was used in molecular dynamic simulations to study the interaction of the enzyme with R and S isomers of clopidogrel. Analysis of the geometric hindrances of the tetrahedral intermediates revealed a potential site for mutagenesis in order to improve the activity and the selectivity. Single point mutation showed dramatic increase in activity and inversion of the enantioselectivity (400 fold change in E value).

Keywords: biocatalysis, biotechnology, enzyme, protein engineering, molecular modeling

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Authors: Deniz Peksen

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This thesis aims to predict trend movement of closing price of stock and to maximize portfolio by utilizing the predictions. In this context, the study aims to define a stock portfolio strategy from models created by using Logistic Regression, Gradient Boosting and Random Forest. Recently, predicting the trend of stock price has gained a significance role in making buy and sell decisions and generating returns with investment strategies formed by machine learning basis decisions. There are plenty of studies in the literature on the prediction of stock prices in capital markets using machine learning methods but most of them focus on closing prices instead of the direction of price trend. Our study differs from literature in terms of target definition. Ours is a classification problem which is focusing on the market trend in next 20 trading days. To predict trend direction, fourteen years of data were used for training. Following three years were used for validation. Finally, last three years were used for testing. Training data are between 2002-06-18 and 2016-12-30 Validation data are between 2017-01-02 and 2019-12-31 Testing data are between 2020-01-02 and 2022-03-17 We determine Hold Stock Portfolio, Best Stock Portfolio and USD-TRY Exchange rate as benchmarks which we should outperform. We compared our machine learning basis portfolio return on test data with return of Hold Stock Portfolio, Best Stock Portfolio and USD-TRY Exchange rate. We assessed our model performance with the help of roc-auc score and lift charts. We use logistic regression, Gradient Boosting and Random Forest with grid search approach to fine-tune hyper-parameters. As a result of the empirical study, the existence of uptrend and downtrend of five stocks could not be predicted by the models. When we use these predictions to define buy and sell decisions in order to generate model-based-portfolio, model-based-portfolio fails in test dataset. It was found that Model-based buy and sell decisions generated a stock portfolio strategy whose returns can not outperform non-model portfolio strategies on test dataset. We found that any effort for predicting the trend which is formulated on stock price is a challenge. We found same results as Random Walk Theory claims which says that stock price or price changes are unpredictable. Our model iterations failed on test dataset. Although, we built up several good models on validation dataset, we failed on test dataset. We implemented Random Forest, Gradient Boosting and Logistic Regression. We discovered that complex models did not provide advantage or additional performance while comparing them with Logistic Regression. More complexity did not lead us to reach better performance. Using a complex model is not an answer to figure out the stock-related prediction problem. Our approach was to predict the trend instead of the price. This approach converted our problem into classification. However, this label approach does not lead us to solve the stock prediction problem and deny or refute the accuracy of the Random Walk Theory for the stock price.

Keywords: stock prediction, portfolio optimization, data science, machine learning

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Authors: Yaxin Tang, Mingao Hou, Qian He, Guangfu Luo

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Bimetallic nanoparticles serve as a promising class of catalysts with tunable properties suitable for diverse catalytic reactions, yet a comprehensive understanding of their actual structures under operating conditions and the optimal design principles remains largely elusive. In this study, we unveil a prevalent surface segregation phenomenon in nearly 100 platinum-group-element-based bimetallic nanoparticles through first principles-based molecular dynamics simulations. Our findings highlight that two components in a nanoparticle with relatively lower surface energy tend to segregate to the surface. Motivated by this discovery, we propose a deliberate exploitation of surface segregation in designing bimetallic nanoparticle catalysts, aiming for heightened stability and reduced consumption of precious metals. To validate this strategy, we further investigate 36 platinum-based bimetallic nanoparticles for propane dehydrogenation catalysis. Through a systematic examination of catalytic sites on nanoparticles, we identify several systems as top candidates with Pt-enriched surfaces, remarkable thermal stability, and superior catalytic activity for propane dehydrogenation. The insights gained garnered from this study are anticipated to provide a valuable framework for the optimal design of other bimetallic nanoparticles.

Keywords: bimetallic nanoparticles, platinum-group element, catalysis, surface segregation, first-principles calculations

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Authors: Neeraj Kumar Mishra, In Su Kim

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The isoindoline, indazole and indole heterocycles are ubiquitous structural motif found in heterocyclic compounds as they exhibit biological and medicinal applications. For example, isoindoline motif is present in molecules that act as endothelin-A receptor antagonists and dipeptidyl peptidase inhibitors. Moreover, isoindoline derivatives are very crucial constituents in the field of materials science as attractive candidates for organic light-emitting devices. However, compounds containing the indazole motif are known to exhibit to a variety of biological activities, such as estrogen receptor, HIV protease inhibition and anti-tumor activity. The prevalence of indazoles and indoles has led to the development of many useful methods for their preparation. Thus, isoindoline, indazole and indole heterocycles can be new candidates for the next generation of pharmaceuticals. Therefore, the development of highly efficient strategies for the formation of these heterocyclic architectures is an area of great interest in organic synthesis. The past years, transition-metal-catalyzed C−H activation followed by annulation reaction has been frequently used as a powerful tool to construct various heterocycles. Herein, we describe our recent achievements about the transition-metal-catalyzed tandem cyclization reactions of N-benzyltriflamides, 1,2-disubstituted arylhydrazines, acetanilides, etc. via C−H bond activation to access the corresponding bioactive heterocylic scaffolds.

Keywords: biologically active, C-H activation, heterocyclic compounds, transition-metal catalysts

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Authors: Aman Ullah

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The use of renewable resources in supplementing and/or replacing traditional petrochemical products, through green chemistry, is becoming the focus of research. The utilization of oils can play a primitive role towards sustainable development due to their large scale availability, built-in-functionality, biodegradability and no net CO2 production. Microwaves, being clean, green and environmentally friendly, are emerging as an alternative source for product development. Solvent free conversion of fatty acid methyl esters (FAME's) derived from canola oil and waste cooking oil under microwave irradiation demonstrated dramatically enhanced rates. The microwave-assisted reactions lead to the most valuable terminal olefins with enhanced yields, purities and dramatic shortening of reaction times. Various monomers/chemicals were prepared in high yield in very short time. The complete conversions were observed at temperatures as low as 40 ºC within less than five minutes. The products were characterized by GC-MS, GC-FID and NMR. The monomers were separated and polymerized into different polymers including biopolyesthers, biopolyesters, biopolyamides and biopolyolefins. The polymers were characterized in details for their structural, thermal, mechanical and viscoelastic properties. The ability for complete conversion of oils under solvent free conditions and synthesis of different biopolymers is undoubtedly an attractive concept from both an academic and an industrial point of view.

Keywords: monomers, biopolymers, green chemistry, bioplastics, biomaterials

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Authors: C. L. Popa, S. L. Iconaru, A. Costescu, C. S. Ciobanu, M. Motelica Heino, R. Guegan, D. Predoi

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Surface functionalization of ceramic composites with a special focus on tetraethyl orthosilicate (TEOS) and hydroxyapatite (HAp) is discoursed. Mesoporous ceramic HAp-TEOS composites were prepared by the incorporation of hydroxyapatite into tetraethyl orthosilicate by sol-gel method. The resulting samples were analysed by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier transform infrared (FT-IR) spectroscopy, and Raman spectroscopy and nitrogen physisorption. The removal of Pb2+ ions from aqueous solutions was evaluated using Atomic Absorbtion Spectroscopy (AAS). Removal experiments of Pb2+ ions were carried out in aqueous solutions with controlled Pb2+ at pH ~ 3 and pH ~ 5. After removal experiment of Pb2+ at pH 3 and pH 5, porous hydroxyapatite nanoparticles is transformed into PbHAp_3 and PbHAp_5 via the adsorption of Pb2+ ions followed by the cation exchange reaction. The diffraction patterns show that THAp nanoparticles were successfully coated with teos without any structural changes. On the other, the AAS analysis showed that THAp can be useful in the removal Pb2+ from water contaminated.

Keywords: teos, hydroxyapatite, environment applications, biosystems engineering

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Authors: Christopher Ikechukwu Ifeacho

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The paper examines the relationship between energy price dynamics and green growth in Sub Sahara African Countries. The quest for adopting green energy in order to improve the green growth that can engender sustainability, and stability has received more attention from researchers in recent times. This study uses a panel Autoregressive distributed lag approach to investigate this relationship. Findings from the result showed that energy price dynamics and exchange rate have more short-run significant impacts on green growth in individual countries rather than the pooled result. Furthermore, the long-run result confirmed that inflation and capital have a significant long-run relationship with green growth. The causality test result revealed the existence of a bi-directional relationship between green growth and energy price dynamics. The study recommends caution in a currency devaluation and improvement in renewable energy production in the Sub Sahara Africa in order to achieve sustainable green growth.

Keywords: green growth, energy price dynamics, Sub Sahara Africa., sustainability

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Authors: Badriah Algarni

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The pedagogy of ‘flipped learning’ is a form of blended instruction which is gaining widespread attention throughout the world. However, there is a lack of research concerning teachers’ professional development (TPD) in teachers who use flipping. The aim of this study was, therefore, to identify teachers’ perspectives on their experience of flipped PD. The study used a qualitative approach. Purposive sampling recruited nineteen teachers who participated in semi-structured, in-depth interviews. Thematic analysis was used to analyse the interview data. Overall, the teachers reported feeling more confident in their knowledge and skills after participating in flipped TPD. The analysis of the interview data revealed five overarching themes:1) increased engagement with the content; 2) better use of resources; 3) a social, collaborative environment; 4) exchange of practices and experiences; and 5) valuable online activities. These findings can encourage educators, policymakers, and trainers to consider flipped TPD as a form of PD to promote the building of teachers’ knowledge and stimulate reflective practices to improve teaching and learning practices.

Keywords: engagement, flipped learning, teachers’ professional development, collaboration

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Authors: Guillaume Soubeyran, Fabrice Micoud, Benoit Morin, Jean-Philippe Poirot-Crouvezier, Magali Reytier

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Proton Exchange Membrane Fuel Cell (PEMFC) technology is considered as a solution for the reduction of CO2 emissions. However, this technology still meets several challenges for high-scale industrialization. In this context, the increase of durability remains a critical aspect for competitiveness of this technology. Fortunately, performance degradations in nominal operating conditions is partially reversible, meaning that if specific conditions are applied, a partial recovery of fuel cell performance can be achieved, while irreversible degradations can only be mitigated. Thus, it is worth studying the optimal conditions to rejuvenate these reversible degradations and assessing the long-term impact of such procedures on the performance of the cell. Reversible degradations consist mainly of anode Pt active sites poisoning by carbon monoxide at the anode, heterogeneities in water management during use, and oxidation/deactivation of Pt active sites at the cathode. The latter is identified as a major source of reversible performance loss caused by the presence oxygen, high temperature and high cathode potential that favor platinum oxidation, especially in high efficiency operating points. Hence, we studied here a recovery procedure aiming at reducing the platinum oxides by decreasing cathode potential during operation. Indeed, the application of short air starvation phase leads to a drop of cathode potential. Cell performances are temporarily increased afterwards. Nevertheless, local temperature and current heterogeneities within the cells are favored and shall be minimized. The consumption of fuel during the recovery phase shall also be considered to evaluate the global efficiency. Consequently, the purpose of this work is to find an optimal compromise between the recovery of reversible degradations by air starvation, the increase of global cell efficiency and the mitigation of irreversible degradations effects. Different operating parameters have first been studied such as cell voltage, temperature and humidity in single cell set-up. Considering the global PEMFC system efficiency, tests showed that reducing duration of recovery phase and reducing cell voltage was the key to ensure an efficient recovery. Recovery phase frequency was a major factor as well. A specific method was established to find the optimal frequency depending on the duration and voltage of the recovery phase. Then, long-term degradations have also been studied by applying FC-DLC cycles based on NEDC cycles on a 4-cell short stack by alternating test sequences with and without recovery phases. Depending on recovery phase timing, cell efficiency during the cycle was increased up to 2% thanks to a mean voltage increase of 10 mV during test sequences with recovery phases. However, cyclic voltammetry tests results suggest that the implementation of recovery phases causes an acceleration of the decrease of platinum active areas that could be due to the high potential variations applied to the cathode electrode during operation.

Keywords: durability, PEMFC, recovery procedure, reversible degradation

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Authors: Magdalena Jabłońska-Czapla

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The work allowed gaining knowledge about redox and speciation changes of As, Cr, and Sb ionic forms in Klodnica River water. This kind of studies never has been conducted in this region of Poland. In study optimized and validated previously HPLC-ICP-MS methods for determination of As, Sb and Cr was used. Separation step was done using high-performance liquid chromatograph equipped with ion-exchange column followed by ICP-MS spectrometer detector. Preliminary studies included determination of the total concentration of As, Sb and Cr, pH, Eh, temperature and conductivity of the water samples. The study was conducted monthly from March to August 2014, at six points on the Klodnica River. The results indicate that exceeded at acceptable concentration of total Cr and Sb was observed in Klodnica River and we should qualify Klodnica River waters below the second purity class. In Klodnica River waters dominates oxidized antimony and arsenic forms, as well as the two forms of chromium Cr(VI) and Cr(III). Studies have also shown the methyl derivative of arsenic's presence.

Keywords: antimony, arsenic, chromium, HPLC-ICP-MS, river water, speciation

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Authors: Yosra Baaziz, Moez Labidi

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Given limited research on monetary policy rules in revolutionary countries, this paper challenges the suitability of the Taylor rule in characterizing the monetary policy behavior of the Tunisian Central Bank (BCT), especially in turbulent times. More specifically, we investigate the possibility that the Taylor rule should be formulated as a threshold process and examine the validity of such nonlinear Taylor rule as a robust rule for conducting monetary policy in Tunisia. Using quarterly data from 1998:Q4 to 2013:Q4 to analyze the movement of nominal short-term interest rate of the BCT, we find that the nonlinear Taylor rule improves its performance with the advent of special events providing thus a better description of the Tunisian interest rate setting. In particular, our results show that the adoption of an appropriate nonlinear approach leads to a reduction in the errors of 150 basis points in 1999 and 2009, and 60 basis points in 2011, relative to the linear approach.

Keywords: policy rule, central bank, exchange rate, taylor rule, nonlinearity

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