Search results for: density functional theoretical

Authors: J. Sahari, S. M. Sapuan

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Eco-friendly composites have been successfully prepared by using sugar palm tree as a sources. The effect of fibre content on mechanical properties of (SPF/SPS) biocomposites have been done and the experimentally tensile properties (tensile strength and modulus) of biocomposites have been compared with the existing theories of reinforcement. The biocomposites were prepared with different amounts of fibres (i.e. 10%, 20% and 30% by weight percent). The mechanical properties of plasticized SPS improved with the incorporation of fibres. Both approaches (experimental and theoretical) show that the young’s modulus of the biocomposites is consistently increased when the sugar palm fibre (SPF) are placed into the sugar palm starch matrix (SPS). Surface morphological study through scanning electron microscopy showed homogeneous distribution of fibres and matrix with good adhesion which play an important role in improving the mechanical properties of biocomposites. The observed deviations between the experimental and theoretical values are explained by the simplifying model assumptions applied for the configuration of the composites, in particular the sugar palm starch composites.

Keywords: eco-friendly, biocomposite, mechanical, experimental, theoretical

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Authors: A. Albar, D. B. Granato, U. Schwingenschlogl

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Tin monoxide (SnO) has promising properties to be applied as a p-type semiconductor in transparent electronics. To this end, it is necessary to understand the behavior of defects in order to control them. We use density functional theory to study native defects of SnO under tensile and compressive strain. We show that Sn vacancies are more stable under tension and less stable under compression, irrespectively of the charge state. In contrast, O vacancies behave differently for different charge. It turns out that the most stable defect under compression is the +1 charged O vacancy in a Sn-rich environment and the charge neutral O interstitial in an O-rich environment. Therefore, compression can be used to transform SnO from an n-type into un-doped semiconductor.

Keywords: native defects, ab-initio, point defect, tension, compression, semiconductor

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Authors: Minseock Seo

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Dental education consists of both theoretical and practical learning for students. When dental students encounter practical courses as a new educational experience, they must also learn to evaluate themselves. The aim of this study was to investigate the self-assessment scores of third-year dental students and compare with the scores graded by the faculty in preclinical endodontic practice in a dental school in Korea. Faculty- and student-assigned scores were calculated from preclinical endodontic practice performed on phantom patients. The students were formally instructed on grading procedures for endodontic treatment. After each step, each item was assessed by the student. The students’ self-assessment score was then compared to the score by the faculty. The students were divided into 4 groups by analyzing the scores of self-assessment and faculty-assessment and statistically analyzed by summing the theoretical and practical examination scores. In the theoretical exam score, the group who over-estimated their performance (H group) was lower than the group with lower evaluation (L group). When comparing the first and last score determined by the faculty, H groups didn’t show any improvement, while the other group did. In H group, the less improvement of the self-assessment, the higher the theoretical exam score. In L group, the higher improvement of the self-assessment, the better the theoretical exam score. The results point to the need to develop students’ self-insight with more exercises and practical training.

Keywords: dental students, endodontic, preclinical practice, self-assessment

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Authors: Sara Namdarian, Hafez Salleh

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This paper scrutinizes the circumstances of the application of Augmented Reality (AR) technology to enhance the adaptability of architecture classrooms in private Malaysian university classrooms. This study aims to indicate the constraints of mono-functional classrooms in comparison to the potentials of multi-functional classrooms derived from AR application through an exploratory mixed method strategy. This paper expects to contribute towards recognition of suitable AR techniques which can be applied in the development of Adaptive-AR-Classroom-Systems (AARCS) in architecture classrooms. The findings, derived from the analysis, show current classrooms have limited functional spaces, and concludes that AR application can be used in design classrooms to provide a variety of visuals and virtual objects that are required in conducting architecture projects in higher educational centers.

Keywords: design activity, space enhancement, design education, architectural design augmented reality

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Authors: Raymond Limen Njinga

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The comparator factors (Fc) for miniature research reactors are of great importance in the field of nuclear physics as it provide accurate bases for the evaluation of elements in all form of samples via ko-NAA techniques. The Fc was initially simulated theoretically thereafter, series of experiments were performed to validate the results. In this situation, the experimental values were obtained using the alloy of Au(0.1%) - Al monitor foil and a neutron flux setting of 5.00E+11 cm-2.s-1. As was observed in the inner irradiation position, the average experimental value of 7.120E+05 was reported against the theoretical value of 7.330E+05. In comparison, a percentage deviation of 2.86 (from theoretical value) was observed. In the large case of the outer irradiation position, the experimental value of 1.170E+06 was recorded against the theoretical value of 1.210E+06 with a percentage deviation of 3.310 (from the theoretical value). The estimation of equivalent dose rate at 5m from neutron flux of 5.00E+11 cm-2.s-1 within the neutron energies of 1KeV, 10KeV, 100KeV, 500KeV, 1MeV, 5MeV and 10MeV were calculated to be 0.01 Sv/h, 0.01 Sv/h, 0.03 Sv/h, 0.15 Sv/h, 0.21Sv/h and 0.25 Sv/h respectively with a total dose within a period of an hour was obtained to be 0.66 Sv.

Keywords: neutron flux, comparator factor, NAA techniques, neutron energy, equivalent dose

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Authors: Sandeep Kumar, Naveen Gupta

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Terahertz (THz) generation has been investigated by beating two cosh-Gaussian laser beams of the same amplitude but different wavenumbers and frequencies through rippled collisionless plasma. The ponderomotive force is operative which is induced due to the intensity gradient of the laser beam over the cross-section area of the wavefront. The electrons evacuate towards a low-intensity regime, which modifies the dielectric function of the medium and results in cross focusing of cosh-Gaussian laser beams. The evolution of spot size of laser beams has been studied by solving nonlinear Schrodinger wave equation (NLSE) with variational technique. The laser beams impart oscillations to electrons which are enhanced with ripple density. The nonlinear oscillatory motion of electrons gives rise to a nonlinear current density driving THz radiation. It has been observed that the periodicity of the ripple density helps to enhance the THz radiation.

Keywords: rippled collisionless plasma, cosh-gaussian laser beam, ponderomotive force, variational technique, nonlinear current density

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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: Mouna Mesbahi, M. Loutfi Benkhedir

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In CZTS films solar cell, the preferable reaction between Cu and sulfur vapor was likely to be induced by out diffusion of the bottom Cu component to the surface; this would lead to inhomogeneous distribution of the Cu component to form the Cu2SnS3 secondary phase and formation of many voids and crevices in the resulting CZTS film; which is also the cause of the decline in performance. In this work we study the electronic and optical properties of Cu2SnS3. For this purpose we used the Wien2k code based on the theory of density functional theory (DFT) with the modified Becke-Johnson exchange potential mBJ and the Hubbard potential individually or combined. We have found an energy gap 0.92 eV. The results are in good agreement with experimental results.

Keywords: Cu2SnS3, DFT, electronic and optical properties, mBJ+U, WIEN2K

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Authors: Sadeq Al Yaari, Ayman Al Yaari, Adham Al Yaari, Montaha Al Yaari, Aayah Al Yaari, Sajedah Al Yaari

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Objective: The aim of this study is to investigate how the brain of a new language learner establishes theoretical templates to help understand grammatical structure. Method: The study recruited fourteen typically developing and achieving participants from eleven nationalities (ages between 23 and 30). Pre- and post-tests were administered, and the analysis was psychoneurolinguistically discussed. Results: Outline results show that, in grammar acquisition), the challenge that faces the second language learner is in the establishment of the templates relating to abstract nouns. During the process of grammar acquisition, the earlier, the better and fMRI was found to be the practical detector of brain theoretical templates.

Keywords: template, brain, imaging technique, grammar acquisition

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Authors: Quznetsov Gunn

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In the study of the logical foundations of probability theory, it was found that the terms and equations of the fundamental theoretical physics represent terms and theorems of the classical probability theory, more precisely, of that part of this theory, which considers the probability of dot events in the 3 + 1 space-time. In particular, the masses, moments, energies, spins, etc. turn out of parameters of probability distributions such events. The terms and the equations of the electroweak and of the quark-gluon theories turn out the theoretical-probabilistic terms and theorems. Here the relation of a neutrino to his lepton becomes clear, the W and Z bosons masses turn out dynamic ones, the cause of the asymmetry between particles and antiparticles is the impossibility of the birth of single antiparticles. In addition, phenomena such as confinement and asymptotic freedom receive their probabilistic explanation. And here we have the logical foundations of the gravity theory with phenomena dark energy and dark matter.

Keywords: classical theory of probability, logical foundation of fundamental theoretical physics, masses, moments, energies, spins

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Authors: N. Tugrul, E. Sariburun, F. T. Senberber, A. S. Kipcak, E. Moroydor Derun, S. Piskin

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Boron-gypsum is a waste which occurs in the boric acid production process. In this study, the boron content of this waste is evaluated for the use in synthesis of magnesium borates and such evaluation of this kind of waste is useful more than storage or disposal. Magnesium borates, which are a sub-class of boron minerals, are useful additive materials for the industries due to their remarkable thermal and mechanical properties. Magnesium borates were obtained hydrothermally at different temperatures. Novelty of this study is the search of the solution density effects to magnesium borate synthesis process for the increasing the possibility of boron-gypsum usage as a raw material. After the synthesis process, products are subjected to XRD and FT-IR to identify and characterize their crystal structure, respectively.

Keywords: boron-gypsum, hydrothermal synthesis, magnesium borate, solution density

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Authors: Reza Fazaeli, Reza Eslami-Farsani, Hamid Targhagh

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Low density polyethylene (LDPE) nanocomposites with 3, 5 and 7 wt. % cobalt ferrite (CoFe2O4) nanopowder fabricated with extrusion mixing and followed up by hot press to reach compact samples. The transmission/reflection measurements were carried out with a network analyzer in the frequency range of 8-12 GHz. By increasing the percent of CoFe2O4 nanopowder, reflection loss (S11) increases, while transferring loss (S21) decreases. Reflectivity (R) calculations made using S11 and S21. Increase in percent of CoFe2O4 nanopowder up to 7 wt. % in composite leaded to higher reflectivity amount, and revealed that increasing the percent of CoFe2O4 nanopowder up to 7 wt. % leads to further microwave absorption in 8-12 GHz range.

Keywords: nanocomposite, cobalt ferrite, low density polyethylene, microwave absorption

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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: Heri Hermansyah, Annisa Kurnia, A. Vania Anisya, Adi Surjosatyo, Yopi Sunarya, Rita Arbianti, Tania Surya Utami

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Lipase is one of biocatalyst which is applied commercially for the process in industries, such as bioenergy, food, and pharmaceutical industry. Nowadays, biocatalysts are preferred in industries because they work in mild condition, high specificity, and reduce energy consumption (high pressure and temperature). But, the usage of lipase for industry scale is limited by economic reason due to the high price of lipase and difficulty of the separation system. Immobilization of lipase is one of the solutions to maintain the activity of lipase and reduce separation system in the process. Therefore, we conduct a study about lipase immobilization with the adsorption-cross linking method using glutaraldehyde because this method produces high enzyme loading and stability. Lipase is immobilized on different kind of resin with the various functional group. Highest enzyme loading (76.69%) was achieved by lipase immobilized on anion macroporous which have anion functional group (OH^‑). However, highest activity (24,69 U/g support) through olive oil emulsion method was achieved by lipase immobilized on anion macroporous-chitosan which have amino (NH₂) and anion (OH^-) functional group. In addition, it also success to produce biodiesel until reach yield 50,6% through interesterification reaction and after 4 cycles stable 63.9% relative with initial yield. While for Aspergillus, niger lipase immobilized on anion macroporous-kitosan have unit activity 22,84 U/g resin and yield biodiesel higher than commercial lipase (69,1%) and after 4 cycles stable reach 70.6% relative from initial yield. This shows that optimum functional group on support for immobilization with adsorption-cross linking is the support that contains amino (NH₂) and anion (OH^-) functional group because they can react with glutaraldehyde and binding with enzyme prevent desorption of lipase from support through binding lipase with a functional group on support.

Keywords: adsorption-cross linking, immobilization, lipase, resin

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Authors: Mahacine Amrani

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A simple and rapid method for the determination of alcohol in gasoline-alcohol mixtures using density measurements is described. The method can determine a minimum of 1% of alcohol by volume. The precision of the method is ± 3%.The method is more useful for field test in the quality assessment of alcohol blended fuels.

Keywords: gasoline-alcohol, mixture, alcohol determination, density, measurement, Morocco

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Authors: Larissa Kamdjong

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The purpose of this research is to introduce inclusive leadership as a distinct theoretical framework to understand its meaning and functions in advancing gender equality and empowerment in public relations leadership. By proposing women inclusive leadership theoretical model, we explored the roles of inclusive leadership in fostering an organization’s diverse climate and facilitating its practice of participative leadership in empowering women in public relations to reach their full potential in leadership advancement. Moreover, our results confirmed both direct and indirect impacts inclusive leadership could have on women’s perceptions of continued career growth opportunities. Our findings provide theoretical implications and practical solutions to address women’s leadership challenges through an inclusive leadership lens.

Keywords: inclusiveness, empowerment, leadership, career opportunities

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Authors: G. P. Abdel Rahim, M. María Guadalupe Moreno Armenta, Jairo Arbey Rodriguez

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We investigated the structure and electronic properties of the compound Mg1-xBixO with varying concentrations of 0, ¼, ½, and ¾ x bismuth in the the NaCl (rock-salt) and WZ (wurtzite) phases. The calculations were performed using the first-principles pseudo-potential method within the framework of spin density functional theory (DFT). Our calculations predict that for Bi concentrations greater than ~70%, the WZ structure is more favorable than the NaCl one and that for x = 0 (pure MgO), x = 0.25 and x = 0.50 of Bi concentration the NaCl structure is more favorable than the WZ one. For x = 0.75 of Bi, a transition from wurtzite towards NaCl is possible, when the pressure is about 22 GPa. Also It has been observed the crystal lattice constant closely follows Vegard’s law, that the bulk modulus and the cohesion energy decrease with the concentration x of Bi.

Keywords: DFT, Mg1-xBixO, pseudo-potential, rock-salt, wurtzite

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Authors: Michael Scott, Phil Jarrell

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Digitalization seems to be everywhere these days. So if one was to digitalize Functional Safety, what would that require: • Ability to directly use data from intelligent P&IDs / process design in a PHA / LOPA • Ability to directly use data from intelligent P&IDs in the SIS Design to support SIL Verification Calculations, SRS, C&Es, Functional Test Plans • Ability to create Unit Operation / SIF Libraries to radically reduce engineering manhours while ensuring consistency and improving quality of SIS designs • Ability to link data directly from a PHA / LOPA to SIS Designs • Ability to leverage reliability models and SRS details from SIS Designs to automatically program the Safety PLC • Ability to leverage SIS Test Plans to automatically create Safety PLC application logic Test Plans for a virtual FAT • Ability to tie real-time data from Process Historians / CMMS to assumptions in the PHA / LOPA and SIS Designs to generate leading indicators on protection layer health • Ability to flag SIS bad actors for proactive corrective actions prior to a near miss or loss of containment event What if I told you all of this was available today? This paper will highlight how the digital revolution has revolutionized the way Safety Instrumented Systems are designed, configured, operated and maintained.

Keywords: IEC 61511, safety instrumented systems, functional safety, digitalization, IIoT

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Authors: Farag Ahwide, Souhel Bousheha

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A technical assessment has been made of electricity generation, considering wind turbines ranging between Vestas (V80-2.0 MW and V112-3.0 MW) and the air density is equal to 1.225 Kg/m3, at different towns in Libya. Wind speed might have been measured each 3 hours during 10 m stature at a time for 10 quite sometime between 2000 Furthermore 2009, these towns which are spotted on the bank from claiming Mediterranean ocean also how in the desert, which need aid Derna 1, Derna 2, Shahat, Benghazi, Ajdabya, Sirte, Misurata, Tripoli-Airport, Al-Zawya, Al-Kofra, Sabha, Nalut. The work presented long term "wind data analysis in terms of annual, seasonal, monthly and diurnal variations at these sites. Wind power density with different heights has been studied. Excel sheet program was used to calculate the values of wind power density and the values of wind speed frequency for the stations; their seasonally values have been estimated. Limit variable with rated wind pace to 10 different wind turbines need to be been estimated, which is used to focus those required yearly vitality yield of a wind vitality change framework (WECS), acknowledging wind turbines extending between 600 kW and 3000 kW).

Keywords: energy yield, wind turbines, wind speed, wind power density

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Authors: Peace Liz Sasha Musonge

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Behavioral aspects of species nutrition such as feeding methods and food type are archetypal biological traits signifying how species have adapted to their environment. This concept of functional feeding groups (FFG) analysis is currently used to ascertain the trophic levels of the aquatic food web in a specific microhabitat. However, in Eastern Africa, information about the FFG classification of benthic macroinvertebrates in highland rivers and streams is almost absent, and existing studies have fragmented datasets. For this reason, we carried out a robust study to determine the feed type, trophic level and FFGs, of 56 macroinvertebrate taxa (identified to family level) from Albertine rift valley streams. Our findings showed that all five major functional feeding groups were represented; Gatherer Collectors (GC); Predators (PR); shredders (SH); Scrapers (SC); and Filterer collectors. The most dominant functional feeding group was the Gatherer Collectors (GC) that accounted for 53.5% of the total population. The most abundant (GC) families were Baetidae (7813 individuals), Chironomidae NTP (5628) and Caenidae (1848). Majority of the macroinvertebrate population feed on Fine particulate organic matter (FPOM) from the stream bottom. In terms of taxa richness the Predators (PR) had the highest value of 24 taxa and the Filterer Collectors group had the least number of taxa (3). The families that had the highest number of predators (PR) were Corixidae (1024 individuals), Coenagrionidae (445) and Libellulidae (283). However, Predators accounted for only 7.4% of the population. The findings highlighted the functional feeding groups and habitat type of macroinvertebrate communities along an altitudinal gradient.

Keywords: trophic levels, functional feeding groups, macroinvertebrates, Albertine rift

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Authors: Sadiq Aminu, Ahmed Lamido

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This research studies Barack Obama’s second inaugural speech using Halliday’s Systemic Functional Grammar (SFG). SFG is a text grammar which describes how language is used, so that the meaning of the text can be better understood. The primary source of data in this research work is Barack Obama’s second inaugural speech which was obtained from the internet. The analysis of the speech was based on the ideational and textual metafunctions of Systemic Functional Grammar. Specifically, the researcher analyses the Process Types and Participants (ideational) and the Theme/Rheme (textual). It was found that material process (process of doing) was the most frequently used ‘Process type’ and ‘We’ which refers to the people of America was the frequently used ‘Theme’. Application of the SFG theory, therefore, gives a better meaning to Barack Obama’s speech.

Keywords: ideational, metafunction, rheme, textual, theme

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Authors: Francis Kwesi Bondinuba, Seidu Abdullah, Nelly Bondinuba

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Purpose: The study proposes a theoretical framework for integrating sustainable project management in the construction sector, addressing the need for sustainable development practices. Methodology: The study adopts a theoretical approach by reviewing existing literature on sustainable development and project management in the construction industry. It analyses various concepts, theories, and frameworks to develop a comprehensive theoretical framework for integrating sustainable project management. Findings: The study emphasizes the importance of incorporating sustainable development practices into construction project management, focusing on collaboration, stakeholder engagement, and continuous improvement to achieve environmental conservation, social responsibility, and economic viability. Conclusion: Sustainable Project Management (SPM) in Ghana's construction industry is challenging due to lack of awareness, regulatory frameworks, financial constraints, and skill shortages, despite its benefits in promoting social inclusivity, job creation, and environmental resilience. Recommendation: The construction industry in Ghana should adopt a comprehensive approach involving local communities, government bodies, and environmental organizations. It should utilize green materials and technologies and effectively manage waste. Originality: This study presents a theoretical framework for sustainable project management in construction. It emphasizes collaboration and stakeholder engagement for long-term sustainable outcomes and considers environmental, social, and economic aspects.

Keywords: construction industry, theoretical framework, integration, project management, sustainable development

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Authors: Selina Schwaabe

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Community pharmacies deliver high-quality health care and are responsible for medication safety. During the pandemic, accessibility to the nearest pharmacy became more essential to get vaccinated against Covid-19 and to get medical aid. The government's goal is to ensure nationwide, reachable, and affordable medical health care services by pharmacies. Therefore, the density of community pharmacies matters. Overall, the density of community pharmacies is fluctuating, with slightly decreasing tendencies in some countries. So far, the literature has shown that changes in the system affect prices and density. However, a European overview of the development of the density of community pharmacies and its triggers is still missing. This research is essential to counteract against decreasing density consulting in a lack of professional health care through pharmacies. The analysis focuses on liberal versus regulated market structures, mail-order prescription drug regulation, and third-party ownership consequences. In a panel analysis, the relative influence of the measures is examined across 27 European countries over the last 21 years. In addition, the paper examines seven selected countries in depth, selected for the substantial variance in their pharmacy system: Germany, Austria, Portugal, Denmark, Sweden, Finland and Poland. Overall, the results show that regulated pharmacy markets have over 10.75 pharmacies/100.000 inhabitants more than liberal markets. Further, mail-order prescription drugs decrease the density by -17.98 pharmacies/100.000 inhabitants. Countries allowing third-party ownership have 7.67 pharmacies/100.000 inhabitants more. The results are statistically significant at a 0.001 level. The output of this analysis recommends regulated pharmacy markets, with a ban on mail-order prescription drugs allowing third-party ownership to support nationwide medical health care through community pharmacies.

Keywords: community pharmacy, market conditions, pharmacy, pharmacy market, pharmacy lobby, prescription, e-prescription, ownership structures

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Authors: Dongkyu Lee, Thanh Banh Thien, Soomi Shin

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In the present study, the isogeometric topology optimization is proposed for cracked structures through using Solid Isotropic Material with Penalization (SIMP) as a design model. Design density variables defined in the variable space are used to approximate the element analysis density by the bivariate B-spline basis functions. The mathematical formulation of topology optimization problem solving minimum structural compliance is an alternating active-phase algorithm with the Gauss-Seidel version as an optimization model of optimality criteria. Stiffness and adjoint sensitivity formulations linked to strain energy of cracked structure are proposed in terms of design density variables. Numerical examples demonstrate interactions of topology optimization to structures design with cracks.

Keywords: topology optimization, isogeometric, NURBS, design

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Authors: Jing Qing-feng, Liu Danmei

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Based on the optimum detection, signal projection and Maximum A Posteriori (MAP) rule, Proakis has deduced the theoretical BER equation of Gray coded MPSK signals. Proakis analyzed the BER theoretical equations mainly based on the projection of signals, which is difficult to be understood. This article solve the same problem based on the signal space, which explains the vectors relations among the sending signals, received signals and noises. The more explicit and easy-deduced process is illustrated in this article based on the signal space, which can illustrated the relations among the signals and noises clearly. This kind of deduction has a univocal geometry meaning. It can explain the correlation between the production and calculation of BER in vector level.

Keywords: MPSK, MAP, signal space, BER

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Authors: Ulisses Tadeu Vaz de Oliveira

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The development of multifunctional studies in the theoretical-methodological perspective of the Systemic-Functional Grammar (SFG) and the increasing number of critical literary studies have introduced new opportunities for the study of ideologies and societies, but also brought up new challenges across and within many areas. In this regard, the Critical Linguistics researches allow a form of pairing a textual linguistic analysis method (micro level) with a social language theory in political and ideological processes (macro level), presented in the literature. This presentation will report on strategies to criticize power holders in literary productions from three distinct eras, namely: (a) Satirical Galego-Portuguese chants of Gil Pérez Conde (thirteenth century), (b) Poems of Gregorio de Matos Guerra (seventeenth century), and (c) Songs of Chico Buarque de Holanda (twentieth century). The analysis of these productions is based on the SFG proposals, which considers the clause as a social event. Therefore, the structure serves to realize three concurrent meanings (metafunctions): Ideational, Interpersonal and Textual. The presenter aims to shed light on the core issues relevant to the successes of the authors to criticize authorities in repressive times while caring about face-threatening and politeness. The effective and meaningful critical discourse was a way of moving the society`s chains towards new ideologies reflected in the lexicogrammatical choices made and the rhetorical functions of the persuasive structures used by the authors.

Keywords: ideology, literature, persuasion, systemic-functional grammar

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Authors: Shahriar Ghammamy, Masomeh Shahsavary

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In this paper, the optimized geometries and frequencies of the stationary point and the minimum energy paths of C13H12F7ClN2O are calculated by using the DFT (B3LYP) methods with LANL2DZ basis sets. B3LYP/ LANL2DZ calculation results indicated that some selected bond length and bond angles values for the C13H12F7ClN2O.

Keywords: C13H12F7ClN2O, vatural bond orbital, fluorous compounds, functional calculations

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Authors: Abdu Umar Adamu, Maimuna Ibrahim

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In this present work, a locally used medicinal plant, namely: Aspillia kotschyi belonging to the Compositae family, was extracted using methanolic and petroleum ether 60-80OC. The extracts were subjected to microwave plasma Atomic Emission Spectroscopy (MPES) to determine the following metals Se, Ag, Fe, Cu, Ni, As, Co, Mn, and Al. From the result, Ag, Cu, Ni, and Co are of very negligible concentrations in the plant extract. However, Seleniun is found to be 0.530 (mg/kg) in the plant methanolic extract. Iron, on the other hand, was found to be 3.712 (mg/kg) in the plant extract. Arsenic was found to be 0.506 and 1.301 (mg/kg) in both methanolic and petroleum spirit extracts of the plant material. The concentration of aluminium was found to be of the range of 3.050mg/kg in the plant. Functional group analysis of the plant extracts was also carried out using Fourier transform infrared (FTIR) spectroscopy which showed the presence of some functional groups. The results of this study suggest some merit in the popular use of the plant in herbal medicine.

Keywords: Aspillia kotschyi, functional group, FTIR, MPES

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Authors: Dong Tang, Yongli Zhao

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The study of the microstructure of asphalt is of great importance for the analysis of its macroscopic properties. However, the peculiarities of the chemical composition of the asphalt itself and the limitations of existing direct imaging techniques have caused researchers to face many obstacles in studying the microstructure of asphalt. The advantage of small-angle X-ray scattering (SAXS) is that it allows quantitative determination of the internal structure of opaque materials and is suitable for analyzing the microstructure of materials. Therefore, the SAXS technique was used to study the evolution of microstructures on the nanoscale during asphalt aging. And the reasons for the change in scattering contrast during asphalt aging were also explained with the help of Fourier transform infrared spectroscopy (FTIR). SAXS experimental results show that the SAXS curves of asphalt are similar to the scattering curves of scattering objects with two-level structures. The Porod curve for asphalt shows that there is no obvious interface between the micelles and the surrounding mediums, and there is only a fluctuation of the hot electron density between the two. The Beaucage model fit SAXS patterns shows that the scattering coefficient P of the asphaltene clusters as well as the size of the micelles, gradually increase with the aging of the asphalt. Furthermore, aggregation exists between the micelles of asphalt and becomes more pronounced with increasing aging. During asphalt aging, the electron density difference between the micelles and the surrounding mediums gradually increases, leading to an increase in the scattering contrast of the asphalt. Under long-term aging conditions due to the gradual transition from maltenes to asphaltenes, the electron density difference between the micelles and the surrounding mediums decreases, resulting in a decrease in the scattering contrast of asphalt SAXS. Finally, this paper correlates the macroscopic properties of asphalt with microstructural parameters, and the results show that the high-temperature rutting resistance of asphalt is enhanced and the low-temperature cracking resistance decreases due to the aggregation of micelles and the generation of new micelles. These results are useful for understanding the relationship between changes in microstructure and changes in properties during asphalt aging and provide theoretical guidance for the regeneration of aged asphalt.

Keywords: asphalt, Beaucage model, microstructure, SAXS

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Authors: Jie Ding, Yingying Pan, Shammy Raj, Lindy Schaffrick, Jolene Wong, Antoinette Nguyen, Sharada Manchikanti, Larry Unsworth, Peter Kwan, Edward E. Tredget

Abstract:

Background: Exosomes (EXOs) have been considered a new target that is thought to be involved in and treat wound healing. More research is needed to fully understand the EXO characteristics and mechanisms of EXO-mediated wound healing, especially wound healing after burn injury. Methods: Total EXOs were isolated from 85 serum samples of 29 burn patients and 13 healthy individuals. We characterized the EXOs for morphology and density, serum concentration, protein level, marker expression, size distribution, and cytokine content. After confirmation of EXO uptake by dermal fibroblasts, we also explored functional regulation of primary human normal skin and hypertrophic scar fibroblast cell lines by the EXOs in vitro, including cell proliferation and apoptosis. Results: EXOs dynamically changed their morphology, density, size, and cytokine level during wound healing in burn patients, which were correlated with burn severity and the stages of wound healing. EXOs from both burn patients and healthy individuals stimulated dermal fibroblast proliferation and apoptosis. Conclusion: EXO features may be important signals that influence wound healing after burn injury; however, to understand the mechanisms by which EXOs regulated the fibroblasts in healing wounds, further studies will be required in the future.

Keywords: exosome, burn, wound healing, hypertrophic scarring, cytokines

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