Search results for: supported catalysts

Authors: Hellal Abdelkader, Chafaa Salah, Boudjemaa Fouzia

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

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

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Authors: Satya P. Dubey, Hrushikesh A Abhyankar, Veronica Marchante, James L. Brighton, Björn Bergmann

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Aims: To develop a mathematical model that simulates the ROP of PLA taking into account the effect of alternative energy to be implemented in a continuous reactive extrusion production process of PLA. Introduction: The production of large amount of waste is one of the major challenges at the present time, and polymers represent 70% of global waste. PLA has emerged as a promising polymer as it is compostable, biodegradable thermoplastic polymer made from renewable sources. However, the main limitation for the application of PLA is the traces of toxic metal catalyst in the final product. Thus, a safe and efficient production process needs to be developed to avoid the potential hazards and toxicity. It has been found that alternative energy sources (LASER, ultrasounds, microwaves) could be a prominent option to facilitate the ROP of PLA via continuous reactive extrusion. This process may result in complete extraction of the metal catalysts and facilitate less active organic catalysts. Methodology: Initial investigation were performed using the data available in literature for the reaction mechanism of ROP of PLA based on conventional metal catalyst stannous octoate. A mathematical model has been developed by considering significant parameters such as different initial concentration ratio of catalyst, co-catalyst and impurity. Effects of temperature variation and alternative energies have been implemented in the model. Results: The validation of the mathematical model has been made by using data from literature as well as actual experiments. Validation of the model including alternative energies is in progress based on experimental data for partners of the InnoREX project consortium. Conclusion: The model developed reproduces accurately the polymerisation reaction when applying alternative energy. Alternative energies have a great positive effect to increase the conversion and molecular weight of the PLA. This model could be very useful tool to complement Ludovic® software to predict the large scale production process when using reactive extrusion.

Keywords: polymer, poly-lactic acid (PLA), ring opening polymerization (ROP), metal-catalyst, bio-degradable, renewable source, alternative energy (AE)

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Authors: Paola Leon, Hugo Garcia, Adan Leon, Samuel Munoz

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The enhanced oil recovery by steam injection was considered a process that only generated physical recovery mechanisms. However, there is evidence of the occurrence of a series of chemical reactions, which are called aquathermolysis, which generates hydrogen sulfide, carbon dioxide, methane, and lower molecular weight hydrocarbons. These reactions can be favored by the addition of a catalyst during steam injection; in this way, it is possible to generate the original oil in situ upgrading through the production increase of molecules of lower molecular weight. This additional effect could increase the oil recovery factor and reduce costs in transport and refining stages. Therefore, this research has focused on the experimental evaluation of the catalytic aquathermolysis on a Colombian heavy oil with 12,8°API. The effects of three different catalysts, reaction time, and temperature were evaluated in a batch microreactor. The changes in the Colombian heavy oil were quantified through nuclear magnetic resonance 1H-NMR. The relaxation times interpretation and the absorption intensity allowed to identify the distribution of the functional groups in the base oil and upgraded oils. Additionally, the average number of aliphatic carbons in alkyl chains, the number of substituted rings, and the aromaticity factor were established as average structural parameters in order to simplify the samples' compositional analysis. The first experimental stage proved that each catalyst develops a different reaction mechanism. The aromaticity factor has an increasing order of the salts used: Mo > Fe > Ni. However, the upgraded oil obtained with iron naphthenate tends to form a higher content of mono-aromatic and lower content of poly-aromatic compounds. On the other hand, the results obtained from the second phase of experiments suggest that the upgraded oils have a smaller difference in the length of alkyl chains in the range of 240º to 270°C. This parameter has lower values at 300°C, which indicates that the alkylation or cleavage reactions of alkyl chains govern at higher reaction temperatures. The presence of condensation reactions is supported by the behavior of the aromaticity factor and the bridge carbons production between aromatic rings (RCH₂). Finally, it is observed that there is a greater dispersion in the aliphatic hydrogens, which indicates that the alkyl chains have a greater reactivity compared to the aromatic structures.

Keywords: catalyst, upgrading, aquathermolysis, steam

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Authors: Lisbeth Amhag

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The aim of the study is to describe and analyze the design of mobile teaching for students collaborative learning in distance higher education with a focus on mobile technologies as online webinars (web-based seminars or conferencing) by using laptops, smart phones, or tablets. These multimedia tools can provide face-to-face interactions, recorded flipped classroom videos and parallel chat communications. The data collection consists of interviews with 22 students and observations of online face-to-face webinars, as well two surveys. Theoretically, the study joins the research tradition of Computer Supported Collaborative learning, CSCL, as well as Computer Self-Efficacy, CSE concerned with individuals’ media and information literacy. Important conclusions from the study demonstrated mobile interactions increased student centered learning. As the students were appreciating the working methods, they became more engaged and motivated. The mobile technology using among student also contributes to increased flexibility between space and place, as well as media and information literacy.

Keywords: computer self-efficacy, computer supported collaborative learning, distance and open learning, educational design and technologies, media and information literacy, mobile learning

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Authors: A. Shahsavar, Z. Jakub

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Due to the outstanding properties of the 2D metal-organic frameworks (MOF), intensive computational and experimental studies have been done. However, the lack of fundamental studies of MOFs on the graphene backbone is observed. This work studies Fe and Ni as metal and tetracyanoquinodimethane (TCNQ) with a high electron affinity as an organic linker functionalized on graphene. Here we present DFT calculations results to unveil the electronic and magnetic properties of iron and nickel-TCNQ physisorbed on graphene. Adsorption and Fermi energies, structural, and magnetic properties will be reported. Our experimental observations prove Fe- and NiTCNQ@Gr/Ir(111) are thermally highly stable up to 500 and 250°C, respectively, making them promising materials for single-atom catalysts or high-density storage media.

Keywords: DFT, graphene, MTCNQ, self-assembly

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Authors: Victor William Harris

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This research is a validation study of the Social Emotional Ability Inventory (SEAI), a multi-dimensional self-report instrument informed by positive psychology, emotional intelligence, social intelligence, and sociocultural learning theory. Designed for use in tandem with the Social Emotional Development (SEAD) theoretical model, the SEAI provides diagnostic-level guidance for professionals and individuals interested in investigating, identifying, and understanding social, emotional strengths, as well as remediating specific social competency deficiencies. The SEAI was shown to be psychometrically sound, exhibited strong internal reliability, and supported the a priori hypotheses of the SEAD. Additionally, confirmatory factor analysis provided evidence of goodness of fit, convergent and divergent validity, and supported a theoretical model that reflected SEAD expectations. The SEAI and SEAD hold potentially far-reaching and important practical implications for theoretical guidance and diagnostic-level measurement of social, emotional competency across a wide range of domains. Strategies researchers, practitioners, educators, and individuals might use to deploy SEAI in order to improve quality of life outcomes are discussed.

Keywords: emotion, emotional ability, positive psychology-social emotional ability, social emotional ability, social emotional ability instrument

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Authors: I. B. Patel, K. A. Mistry, A. H. Prajapati

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Biologically synthesized colloidal Pd nanoparticles were impregnated on porous aluminium. In this paper, the obtained Pd/Al2O3 catalysts were characterized by XRD, SEM, and TEM. The effects of deposited films on the performances of Pd/Al2O3 in adsorption, reduction, and catalytic reaction of CO2 were investigated. The results showed that the deposited films can remarkably improve the dispersion of active components and enhance the reactivity of Pd/Al2O3 catalyst. The catalytic performance of Pd/Al2O3 in term of surface reaction is also enhanced in terms of sensitivity (SF = 850) obtained through conventional CBD method.

Keywords: palladium nanoparticles, Pd/Al2O3, carbon dioxide, aluminium catalyst

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Authors: Ude N. Callistus, Amulu F. Ndidi, Onukwuli D. Okechukwu, Amulu E. Patrick

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Power law approximation was used in this study to evaluate the reaction orders of calcium oxide, CaO catalyzed transesterification of refined cottonseed oil and methanol. The kinetics study was carried out at temperatures of 45, 55 and 65 ^oC. The kinetic parameters such as reaction order 2.02 and rate constant 2.8 hr^-1g^-1cat, obtained at the temperature of 65 ^oC best fitted the kinetic model. The activation energy, Ea obtained was 127.744 KJ/mol. The results indicate that the transesterification reaction of the refined cottonseed oil using calcium oxide catalyst is approximately second order reaction.

Keywords: refined cottonseed oil, transesterification, CaO, heterogeneous catalysts, kinetic model

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Authors: Sandeep K. Saxena, N. Viswanadham, Ala’a H. Al-Muhtaseb

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In an attempt to facilitate effective conversion of biomass derived products into gasoline rich in aromatics and iso-paraffins, various zeolite catalysts with special features such as nano crystallite size and acidity has been synthesized and evaluated. The catalyst (NZ) exhibits highest gasoline yield of about 74wt% with aromatics and iso-paraffins as major components. The product measures Research Octane Number (RON) of about 95, which is desirable for the gasoline specifications. Moreover, considerable amount of the Liquefied Petroleum Gas (LPG) (15wt%) and light olefins (14wt%) are also formed as bi-product that adds value to the process. The study reveals the effective conversion of bio- ethanol to high-octane gasoline.

Keywords: biomass, ethanol, acetone, gasoline, zeolite

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Authors: Zhang Haitao

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The different size of nanoparticle mordenite zeolites were prepared by adding different soft template during hydrothermal process for carbonylation of dimethyl ether (DME) to methyl acetate (MA). The catalysts were characterized by X-ray diffraction, Ar adsorption-desorption, high-resolution transmission electron microscopy, NH3-temperature programmed desorption, scanning electron microscopy and Thermogravimetric. The characterization results confirmed that mordenite zeolites with small nanoparticle showed more strong acid sites which was the active site for carbonylation thus promoting conversion of DME and MA selectivity. Furthermore, the nanoparticle mordenite had increased the mass transfer efficiency which could suppress the formation of coke.

Keywords: nanoparticle mordenite, carbonylation, dimethyl ether, methyl acetate

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Authors: Sohil I. Alqazlan

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Introduction and Objectives: The individual educational plans (IEPs) is the cornerstone in education for students with special education need (SEN). The Saudi government supported the students’ right to have an IEP, and their education is one of the primary goals for the Ministry of Education (MoE). However, this support does not reflect the huge government investment. For example, some SEN students do not have an IEP, and poor communication was found between IEP teams and student's families. As a result, this study investigated perspectives and understandings of the IEP from the views of SEN teachers in the Saudi context. Methods: This study design utilised a qualitative approach, where in-depth semi-structured interviews were used with 8 SEN teachers in Riyadh (the capital city of Saudi Arabia) schools. In terms of analysing the interviews’ findings, the researcher used the thematic analyses approach. Results and Conclusion: The legality and the consideration of the legal document in Saudi Arabia are the main areas wherein study participants were questioned. It was observed that the IEP is not considered a legal document in the region of Saudi Arabia. As interpreted from the response of the SEN teachers, the IEP lacks the required legality with respect to its implementation in Saudi Arabia. All teachers were in agreement that the IEP is not considered to be a legal document in the Kingdom of Saudi Arabia. As a result, they did not use it for all their students with SEN. Such findings might have affected the teaching quality, and school outcomes as all SEN students must be supported individually depending on their needs.

Keywords: individual education plan, special education, IEP, teachers

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Authors: C. Joseph Abou-Fayssal, K. Philippot, R. Poli, E. Manoury, A. Riisager

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The use of soluble polymer-supported metal nanoparticles (MNPs) has received significant attention for the ease of catalyst recovery and recycling. Of particular interest are MNPs that are supported on polymers that are either soluble or form stable colloidal dispersion in water, as this allows to combine of the advantages of the aqueous biphasic protocol with the catalytical performances of MNPs. The objective is to achieve good confinement of the catalyst in the nanoreactor cores and, thus, a better catalyst recovery in order to overcome the previously witnessed MNP extraction. Inspired by previous results, we are interested in the design of polymeric nanoreactors functionalized with ligands able to solidly anchor metallic nanoparticles in order to control the activity and selectivity of the developed nanocatalysts. The nanoreactors are core-crosslinked micelles (CCM) synthesized by reversible addition-fragmentation chain transfer (RAFT) polymerization. Varying the nature of the core-linked functionalities allows us to get differently stabilized metal nanoparticles and thus compare their performance in the catalyzed aqueous biphasic hydrogenation of model substrates. Particular attention is given to catalyst recyclability.

Keywords: biphasic catalysis, metal nanoparticles, polymeric nanoreactors, catalyst recovery, RAFT polymerization

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Authors: Piotr J. Skusiewicz, Johnathan Saul, Ijhar Rusli, Svetlana Aleksandrova, Stephen. F. Benjamin, Miroslaw Gall, Steve Pierson, Carol A. Roberts

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The application of turbocharging in automotive engines leads to swirling flow entering the catalyst. The behaviour of this type of flow within the catalyst has yet to be adequately documented. This work discusses the effect of swirling flow on the flow distribution in automotive exhaust catalysts. Compressed air supplied to a moving-block swirl generator allowed for swirling flow with variable intensities to be generated. Swirl intensities were measured at the swirl generator outlet using single-sensor hot-wire probes. The swirling flow was fed into diffusers with total angles of 10°, 30° and 180°. Downstream of the diffusers, a wash-coated diesel oxidation catalyst (DOC) of length 143.8 mm, diameter 76.2 mm and nominal cell density of 400 cpsi was fitted. Velocity profiles were measured at the outlet sleeve about 30 mm downstream of the monolith outlet using single-sensor hot-wire probes. Wall static pressure was recorded using a multi-tube manometer connected to pressure taps positioned along the diffuser walls. The results show that as swirl is increased, more of the flow is directed towards the diffuser walls. The velocity decreases around the centre-line and maximum velocities are observed close to the outer radius of the monolith for all flow rates. At the maximum swirl intensity, reversed flow was recorded near the centre of the monolith. Wall static pressure measurements in the 180° diffuser indicated no pressure recovery as the flow enters the diffuser. This is indicative of flow separation at the inlet to the diffuser. To gain insight into the flow structure, CFD simulations have been performed for the 180° diffuser for a flow rate of 63 g/s. The geometry of the model consists of the complete assembly from the upstream swirl generator to the outlet sleeve. Modelling of the flow in the monolith was achieved using the porous medium approach, where the monolith with parallel flow channels is modelled as a porous medium that resists the flow. A reasonably good agreement was achieved between the experimental and CFD results downstream of the monolith. The CFD simulations allowed visualisation of the separation zones and central toroidal recirculation zones that occur within the expansion region at certain swirl intensities which are highlighted.

Keywords: catalyst, computational fluid dynamics, diffuser, hot-wire anemometry, swirling flow

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Authors: Aathira H.

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Digital games can act as catalysts for educational transformation in the current scenario. Children and adolescence acquire this digital knowledge quickly and hence digital games can act as one of the most effective media for technology-mediated learning. Mobile gaming industries have seen the rise of a new trending genre of games, i.e., “Merge games” which is currently thriving in the market. This paper analysis on how gamifying historic and cultural narratives with merge mechanics can be an effective way to educate school children. Through the study of how merge mechanics in games have currently emerged as a trend., this paper argues how it can be integrated with a strong narrative which can convey history in an engaging way for education.

Keywords: game-based learning, merge mechanics, historical narratives, gaming innovations

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Authors: Zhikai Chena, Renzhong Fu, Wen Chaib, Rongxin Yuanb

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Two eco-benign and highly efficient routes for the synthesis of amides have been developed by treating amines with corresponding carboxylic acids or carboxamides in the presence of heteropolyanion-based ionic liquids (HPAILs) as catalysts. These practical reactions can tolerate a wide range of substrates. Thus, various amides were obtained in good to excellent yields under solvent-free conditions at heating. Moreover, recycling studies revealed that HPAILs are easily reusable for this two procedures. These methods provide green and much improved protocols over the existing methods.

Keywords: synthesis, amide, ıonic liquid, catalyst

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Authors: Mary Rosa Espinosa-Ochoa

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Some constructions appear suddenly in children’s speech and are productive from the beginning. These constructions are supported by others, previously acquired, with which they share semantic and pragmatic features. Thus, for example, the acquisition of the passive voice in German is supported by other constructions with which it shares the lexical verb sein (“to be”). This also occurs in Spanish, in the acquisition of the progressive aspectual periphrasis estar (“to be”) + verb root + -ndo (present participle), supported by locative constructions acquired earlier with the same verb. The periphrasis shares with the locative constructions not only the lexical verb estar, but also pragmatic relations. Both constructions can be used to answer the question ¿Dónde está? (“Where is he/she/it?”), whose answer could be either Está aquí (“He/she/it is here”) or Se está bañando (“He/she/it is taking a bath”).This study is a corpus-based analysis of two children (1;08-2;08) and the input directed to them: it proposes that the pragmatic and semantic support from previously-acquired constructions comes from the input, during interaction with others. This hypothesis is based on analysis of constructions with estar, whose use to express temporal change (which differentiates it from its counterpart ser [“to be”]), is given in variation sets, similar to those described by Küntay and Slobin (2002), that allow the child to perceive the change of place experienced by nouns that function as its grammatical subject. For example, at different points during a bath, the mother says: El jabón está aquí “The soap is here” (beginning of bath); five minutes later, the soap has moved, and the mother says el jabón está ahí “the soap is there”; the soap moves again later on and she says: el jabón está abajo de ti “the soap is under you”. “The soap” is the grammatical subject of all of these utterances. The Spanish verb + -ndo is a progressive phase aspect encoder of a dynamic state that generates a token. The verb + -ndo is also combined with verb estar to encode. It is proposed here that the phases experienced in interaction with the adult, in events related to the verb estar, allow a child to generate this dynamicity and token reading of the verb + -ndo. In this way, children begin to produce the periphrasis suddenly and productively, even though neither the periphrasis nor the verb + -ndo itself are frequent in adult speech.

Keywords: child language acquisition, input, variation sets, Spanish language

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Authors: A. Selmi

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Free vibration analysis of homogenous and axially functionally graded simply supported beams within the context of Euler-Bernoulli beam theory is presented in this paper. The material properties of the beams are assumed to obey the linear law distribution. The effective elastic modulus of the composite was predicted by using the rule of mixture. Here, the complexities which appear in solving differential equation of transverse vibration of composite beams which limit the analytical solution to some special cases are overcome using a relatively new approach called the Differential Transformation Method. This technique is applied for solving differential equation of transverse vibration of axially functionally graded beams. Natural frequencies and corresponding normalized mode shapes are calculated for different Young’s modulus ratios. MATLAB code is designed to solve the transformed differential equation of the beam. Comparison of the present results with the exact solutions proves the effectiveness, the accuracy, the simplicity, and computational stability of the differential transformation method. The effect of the Young’s modulus ratio on the normalized natural frequencies and mode shapes is found to be very important.

Keywords: differential transformation method, functionally graded material, mode shape, natural frequency

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Authors: Muhammad Tariq A. Chaudhary

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Soil-structure interaction (SSI) in bridges under seismic excitation is a complex phenomenon which involves coupling between the non-linear behavior of bridge pier columns and SSI in the soil-foundation part. It is a common practice in the study of SSI to model the bridge piers as linear elastic while treating the soil and foundation with a non-linear or an equivalent linear modeling approach. Consequently, the contribution of soil and foundation to the SSI phenomenon is disproportionately highlighted. The present study considered non-linear behavior of bridge piers in FEM model of a 4-span, pile-supported bridge that was designed for five different soil conditions in a moderate seismic zone. The FEM model of the bridge system was subjected to a suite of 21 actual ground motions representative of three levels of earthquake hazard (i.e. Design Basis Earthquake, Functional Evaluation Earthquake and Maximum Considered Earthquake). Results of the FEM analysis were used to delineate the influence of pier column non-linearity and SSI on critical design parameters of the bridge system. It was found that pier column non-linearity influenced the bridge lateral displacement and base shear more than SSI for majority of the analysis cases for the class of bridge investigated in the study.

Keywords: bridge, FEM model, reinforced concrete pier, pile foundation, seismic loading, soil-structure interaction

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Authors: Ala’a H. Al-Muhtaseb, Farrukh Jamil, Sandeep K. Saxena

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The fast growth rate of energy consumption along with world population expected to demand 50% more energy by 2030 than nowadays. At present, the energy demand is mostly provided by limited fossil fuel sources such as oil, natural gas, and coal that are resulting in dramatic increase in CO2 emissions from combustion of fossil fuels. The growth of the biodiesel industry over the last decade has resulted in a price drop because glycerol is obtained as a by-product during transesterification of vegetable oil or animal fats, which accounts for one tenth of every gallon of biodiesel produced. The production of oxygenates from glycerol gains much importance due to the excellent diesel-blending property of the oxygenates that not only improve the quality of the fuel but also increases the overall yield of the biodiesel in helping to meet the target for energy production from renewable sources for transport in the energy utilization directives. The reaction of bio-glycerol with bio-acetone was carried out in a magnetically stirred two necked round bottom flaskS. Condensation of bio-glycerol with acetone in the presence of various modified forms of beta zeolite has been done for synthesizing solketal (AB-2 modified with nitric acid, AB-3 modified with oxalic acid). Among all modified forms of beta zeolite, AB-2 showed the best performance for maximum glycerol conversion 94.26 % with 94.21 % solketal selectivity and minimum acetal formation 0.05 %. The physiochemical properties of parent beta zeolite and all its modified forms were analyzed by XRD, SEM, TEM, BET, FTIR and TPD. It has been revealed that AB-2 catalysts with high pore volume and surface area gave high glycerol conversion with maximum solketal selectivity. Despite this, the crystallinity of AB-3 was lower than AB-2 which helps to provide the shorter path length for reactants and product but due high pore volume AB-2 was preferred which gave maximum bio-glycerol conversion. Temperature does matter the glycerol conversion and selectivity of solketal, as it increases from 40 ºC to 60 ºC the conversion of glycerol rises from 80.04 % to 94.26 % and selectivity of solketal from 80.0 % to 94.21 % but further increase in temperature to 100 ºC glycerol conversion reduced to 93.06 % and solketal selectivity to 92.08 %. AB-2 was found to be highly stable as up to 4 repeated experimental runs there was less than 10% decrease in its activity. This process offers an attractive route for converting bio-glycerol, the main by-product of biodiesel to solketal with bio-acetone; a value-added green product with potential industrial applications as a valuable green fuel additive or combustion promoter for gasoline/diesel engines.

Keywords: beta-zeolite, bio-glycerol, catalyst, solketal

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Authors: Naina S. Deshmukh, Manik P. Deosarkar

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With the wide production, consumption, and disposal of pesticides in the world, the concerns over their human and environmental health impacts are rapidly growing. Among developing treatment technologies, ultrasonication, as an emerging and promising technology for the removal of pesticides in the aqueous environment, has attracted the attention of many researchers in recent years. The degradation of acephate in aqueous solutions was investigated under the influence of ultrasound irradiation (20 kHz) in the presence of heterogeneous catalysts titanium dioxide (TiO2) and Zinc oxide (ZnO). The influence of various factors such as amount of catalyst (0.25, 0.5, 0.75, 1.0, 1.25 g/l), initial acephate concentration (100, 200, 300, 400 mg/l), and pH (3, 5, 7, 9, 11) were studied. The optimum catalyst dose was found to be 1 g/l of TiO2 and 1.25 g/l of ZnO for acephate at 100 mg/l, respectively. The maximum percentage degradation of acephate was observed at pH 11 for catalyst TiO2 and ZnO, respectively.

Keywords: ultrasonic degradation, acephate, TiO2, ZnO, heterogeneous catalyst

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Authors: Prabhashini Wijewantha

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This study looks at the impact of protean career attitude of employees on their career success and next it looks at the mediation effect of career insights on the above relationship. Career success is defined as the accomplishment of desirable work related outcomes at any point in person’s work experiences over time and it comprises of two sub variables, namely, career satisfaction and perceived employability. Protean career attitude was measured using the eight items from the Self Directedness subscale of the Protean Career Attitude scale developed by Briscoe and Hall, where as career satisfaction was measured by the three item scale developed by Martine, Eddleston, and Veiga. Perceived employability was also evaluated using three items and career insight was measured using fourteen items that were adapted and used by De Vos and Soens. Data were collected from a sample of 300 mid career executives in Sri Lanka deploying the survey strategy and data were analyzed using the SPSS and AMOS software version 20.0. A preliminary analysis of data was initially performed where data were screened and reliability and validity were ensured. Next a simple regression analysis was performed to test the direct impact of protean career attitude on career success and the hypothesis was supported. The Baron and Kenney’s four steps, three regressions approach for mediator testing was used to calculate the mediation effect of career insight on the above relationship and a partial mediation was supported by the data. Finally theoretical and practical implications are discussed.

Keywords: career success, career insight, mid career MBAs, protean career attitude

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Authors: Sarah Fahad Alajmi, Tamer Ezzat Youssef

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Here, we report a simple method for the direct conversion of 6-Nitro-1H-indole into N-substituted indoles via electrochemical dehydrogenative reaction with halogenated reagents under strongly basic conditions through N–R bond formation. The N-protected indoles have been prepared under moderate and scalable electrolytic conditions. The conduct of the reactions was performed in a simple divided cell under constant current without oxidizing reagents or transition-metal catalysts. The synthesized products have been characterized via UV/Vis spectrophotometry, 1H-NMR, and FTIR spectroscopy. A possible reaction mechanism is discussed based on the N-protective products. This methodology could be applied to the synthesis of various biologically active N-substituted indole derivatives.

Keywords: green chemistry, 1H-indole, heteroaromatic, organic electrosynthesis

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Authors: Sanja O. Podunavac-Kuzmanović, Lidija R. Jevrić, Strahinja Z. Kovačević

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In last decade, metal-organic complexes have captured intensive attention because of their wide range of biological activities such as antibacterial, antifungal, anticancerous, antimicrobial and antiHIV. Therefore, it is of great importance for the development of coordination chemistry to explore the assembly of functional organic ligands with metal ion and to investigate the relationship between the structure and property. In view of our studies, we reasoned that benzimidazoles complexed to metal ions could act as a potent antibacterial agents. Thus, we have bioassayed the inhibitory potency of benzimidazoles and their metal salts (Co or Ni) against Gram negative bacteria Escherichia coli. In order to validate our in vitro study, we performed in silico studies using molecular docking software’s. The investigated compounds and their metal complexes (Co, Ni) showed good antibacterial activity against Escherichia coli. In silico docking studies of the synthesized compounds suggested that complexed benzimidazoles have a greater binding affinity and enhanced antibacterial activity in comparison with noncomplexed ligands. In view of their enhanced inhibitory properties we propose that the studied complexes can be used as potential pharmaceuticals. This study is financially supported by COST action CM1306 and the project No. 114-451-347/2015-02, financially supported by the Provincial Secretariat for Science and Technological Development of Vojvodina.

Keywords: benzimidazoles, complexes, antibacterial, Escherichia coli, metal

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Authors: Madeline Foster

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Since the COVID-19 pandemic, telehealth usage for the delivery of psychotherapy has surged. The evidence base evaluating the success of telehealth interventions continues to grow, with both benefits as well as potential risks identified. This study compared two recent randomized clinical trials (RCTs) from Sweden that looked at the effectiveness of Cognitive Behavioral Therapy (CBT) delivered via telehealth (TH) versus face-to-face (FTF) for individuals with Obsessive Compulsive Disorder (OCD). The papers had mixed results. The first paper by Aspvall and colleagues compared the effect of a therapist-supported, internet-delivered stepped-care CBT program for children and adolescents aged 7 to 17 with face-to-face CBT (2021). In Aspvall’s study, the control scored a mean Y-BOCS of 10.57 and the TH intervention group scored a mean Y-BOCS of 11.57. The mean difference (0.91) met the criteria for noninferiority (p = 0.03). The second study by Lundström and colleagues also compared therapist-supported, internet-based CBT with FTF CBT for the treatment of those with DSM-5-diagnosed OCD. Conversely, while Lundström’s study reported improved symptoms across all groups, at follow up the difference in symptom severity between FTF and TH was clinically significant, with 77% of FTF participants responding to treatment compared to only 45% of TH participants. Due to the methodological limitations of Lundström’s study, it was concluded that Aspvall’s paper made a stronger scientific argument.

Keywords: telehealth, Sweden, RCT, cognitive-behavioral therapy, obsessive-compulsive disorder

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Authors: Matthew E. Potter, Daniel J. Stewart, Lindsay M. Armstrong, Pier J. A. Sazio, Robert R. Raja

Abstract:

Rising CO₂ levels in the atmosphere means that CO₂ is a highly desirable feedstock. This requires specific catalysts to be designed to activate this inert molecule, combining a catalytic site tailored for CO₂ transformations with a support that can readily adsorb CO₂. Metal organic frameworks (MOFs) are regularly used as CO₂ sorbents. The organic nature of the linker molecules, connecting the metal nodes, offers many post-synthesis modifications to introduce catalytic active sites into the frameworks. However, the metal nodes may be coordinatively unsaturated, allowing them to bind to organic moieties. Imidazoles have shown promise catalyzing the formation of cyclic carbonates from epoxides with CO₂. Typically, this synthesis route employs toxic reagents such as phosgene, liberating HCl. Therefore an alternative route with CO₂ is highly appealing. In this work we design active sites for CO₂ activation, by tethering substituted-imidazole organocatalytic species to the available Cr3+ metal nodes of a Cr-MIL-101 MOF, for the first time, to create a tailored species for carbon capture utilization applications. Our tailored design strategy combining a CO₂ sorbent, Cr-MIL-101, with an anchored imidazole results in a highly active and selective multifunctional catalyst, achieving turnover frequencies of over 750 hr-1. These findings demonstrate the synergy between the MOF framework and imidazoles for CO₂ utilization applications. Further, the effect of substrate variation has been explored yielding mechanistic insights into this process. Through characterization, we show that the structural and compositional integrity of the Cr-MIL-101 has been preserved on functionalizing the imidazoles. Further, we show the binding of the imidazoles to the Cr3+ metal nodes. This can be seen through our EPR study, where the distortion of the Cr3+ on binding to the imidazole shows the CO₂ binding site is close to the active imidazole. This has a synergistic effect, improving catalytic performance. We believe the combination of MOF support and organocatalyst allows many possibilities to generate new multifunctional catalysts for CO₂ utilisation. In conclusion, we have validated our design procedure, combining a known CO₂ sorbent, with an active imidazole species to create a unique tailored multifunctional catalyst for CO₂ utilization. This species achieves high activity and selectivity for the formation of cyclic carbonates and offers a sustainable alternative to traditional synthesis methods. This work represents a unique design strategy for CO₂ utilization while offering exciting possibilities for further work in characterization, computational modelling, and post-synthesis modification.

Keywords: carbonate, catalysis, MOF, utilisation

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Authors: Sanja O. Podunavac-Kuzmanović, Lidija R. Jevrić, Strahinja Z. Kovačević

Abstract:

Benzimidazoles are a group of compounds with significant antibacterial, antifungal and anticancer activity. The studied compounds consist of the main benzimidazole structure with different combinations of substituens. This study is based on the two-dimensional and three-dimensional molecular modeling and calculation of molecular descriptors (physicochemical and lipophilicity descriptors) of structurally diverse benzimidazoles. Molecular modeling was carried out by using ChemBio3D Ultra version 14.0 software. The obtained 3D models were subjected to energy minimization using molecular mechanics force field method (MM2). The cutoff for structure optimization was set at a gradient of 0.1 kcal/Åmol. The obtained set of molecular descriptors was used in principal component analysis (PCA) of possible similarities and dissimilarities among the studied derivatives. After the molecular modeling, the quantitative structure-property relationship (QSPR) analysis was applied in order to get the mathematical models which can be used in prediction of pKb values of structurally similar benzimidazoles. The obtained models are based on statistically valid multiple linear regression (MLR) equations. The calculated cross-validation parameters indicate the high prediction ability of the established QSPR models. This study is financially supported by COST action CM1306 and the project No. 114-451-347/2015-02, financially supported by the Provincial Secretariat for Science and Technological Development of Vojvodina.

Keywords: benzimidazoles, chemometrics, molecular modeling, molecular descriptors, QSPR

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Authors: Yosra M. Badiei, Evelyn Ortiz, Marisa Portenti, David Szalda

Abstract:

Water-oxidation half-reaction is a critical reaction that can be driven by a sustainable energy source (e.g., solar or wind) and be coupled with a chemical fuel making reaction which stores the released electrons and protons from water (e.g., H₂ or methanol). The use of molecular water-oxidation catalysts (WOC) allow the rationale design of redox active metal centers and provides a better understanding of their structure-activity-relationship. Herein, the structure of a Ru(III) complex bearing a doubly deprotonated N,N'-bis(aryl)pyridine-2,6-dicarboxamide ligand which contains a water molecule in its primary coordination sphere was elucidated by single-crystal X-ray diffraction. Further spectroscopic experimental data and pH-dependent electrochemical studies reveal its water-oxidation reactivity. Emphasis on mechanistic details for O₂ formation of this complex will be addressed.

Keywords: water-oxidation, catalysis, ruthenium, artificial photosynthesis

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Authors: Najib Belhadj Messaoud, Slim Souissi

Abstract:

The non-linear dynamic behavior of a single stage spur gear reducer is studied in this paper in transient regime. Driving and driver rotors are, respectively, powered by a motor torque Cm and loaded by a resistive torque Cr. They are supported by two identical Active Magnetic Bearings (AMBs). Gear excitation is induced by the motor torque and load variation in addition to the fluctuation of meshing stiff-ness due to the variation of input rotational speed. Three models of AMBs were used with four, six and eight magnets. They are operated by P.D controller and powered by control and bias currents. The dynamic parameters of the AMBs are modeled by stiffness and damping matrices computed by the derivation of the electromagnetic forces. The equations of motion are solved iteratively using Newmark time integration method. In the first part of the study, the model is powered by an electric motor and by a four strokes four cylinders diesel engine in the second part. The numerical results of the dynamic responses of the system come to confirm the significant effect of the transient regime on the dynamic behavior of a gear set, particularly in the case of engine acyclism condition. Results also confirm the influence of the magnet number by AMBs on the dynamic behavior of the system. Indeed, vibrations were more important in the case of gear reducer supported by AMBs with four magnets.

Keywords: motor, stiffness, gear, acyclism, fluctuation, torque

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Authors: Saroj Kumar Rath

Abstract:

When insurgency erupted in Kashmir in 1989, it was quickly backed by Pakistan. Kashmir witnessed terrorism for more than a decade till 2004 when Indian forces decimated militancy. After the US pressure in 1992, terrorist training camps of Pakistan shifted to Afghanistan and al Qaeda and the Taliban had taken over training of Kashmiri militants in Afghanistan after 1997 as part of their global jihad. The Indo-Pak rivalry over Kashmir dispute had taken a new turn in the aftermath of 9/11 developments. Islamabad viewed its Afghan policy through the prism of denying India any advantage in Kabul. Pakistan was successful in refuting Indian presence in Kabul for a decade through the Taliban. After the 9/11 attacks the Inter Services Intelligence (ISI) saw Northern Alliance, supported by the Americans and all of Pakistan’s regional rivals – India, Iran, and Russia – as claiming victory in Kabul. For Pakistan’s military regime, this was a strategic disaster and prompted the ISI to give refuge to the escaping Taliban, while denying full support to Hamid Karzai. The new development in Afghanistan prompted India to establish a foothold it had lost nearly a decade earlier. India established diplomatic contacts with Afghanistan; supported the Karzai government and funded aid programs. Pakistan alleged that Indian agents are training Baloch and Sindhi dissidents in Pakistan through Afghanistan. Kabul had suddenly become the new Kashmir – the new battleground for India-Pakistan rivalry.

Keywords: Afghan imbroglio, Kashmir conflict, Indo-Pak rivalry, US policy in South Asia

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Authors: Njabe Christelle

Abstract:

Fungal products are essential building blocks for change towards a more sustainable future for our planet. In nature, fungi are special in breaking down plant material by means of a rich spectrum of plant cell wall degrading enzymes. Enzymes serve as catalysts in organic synthesis. Imagine the immense benefits that the known 250000 plant genes might provide in the future through scientific investigation. Plants are the primary basis for human sustenance, used directly for food, clothing, and shelter or indirectly in processed form and through animal feeding. Fungi are the only organisms known to extensively degrade lignin, a major component of wood. Although humans cannot digest cellulose and lignin, many fungi, through their assimilation of these substances, produce food in the form of edible mushrooms.

Keywords: plants, fungi, sustainable use, planet earth

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