Search results for: density functional theoretical

Authors: Hiroyuki Aoki

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The optoacoustic effect is the energy conversion phenomenon from light to sound. In recent years, this optoacoustic effect has been utilized for an imaging agent to visualize a tumor site in a living body. The optoacoustic imaging agent absorbs the light and emits the sound signal. The sound wave can propagate in a living organism with a small energy loss; therefore, the optoacoustic imaging method enables the molecular imaging of the deep inside of the body. In order to improve the imaging quality of the optoacoustic method, the more signal intensity is desired; however, it has been difficult to enhance the signal intensity of the optoacoustic imaging agent because the fundamental mechanism of the signal generation is unclear. This study deals with the mechanism to generate the sound wave signal from the optoacoustic imaging agent following the light absorption by experimental and theoretical approaches. The optoacoustic signal efficiency for the nano-particles consisting of metal and polymer were compared, and it was found that the polymer particle was better. The heat generation and transfer process for optoacoustic agents of metal and polymer were theoretically examined. It was found that heat generated in the metal particle rapidly transferred to the water medium, whereas the heat in the polymer particle was confined in itself. The confined heat in the small particle induces the massive volume expansion, resulting in the large optoacoustic signal for the polymeric particle agent. Thus, we showed that heat confinement is a crucial factor in designing the highly efficient optoacoustic imaging agent.

Keywords: nano-particle, opto-acoustic effect, in vivo imaging, molecular imaging

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Authors: Zahra Dehghani, Hoda Dehghani, Elham Zarenezhad

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1,2,3-Triazole derivatives are important compounds in medicinal chemistry owing to their wide applications in drug discovery. They can readily associate with biologically targets through the hydrogen bonding and dipole interactions. The 1,2,3-triazole core is a key structural motif in many bioactive compounds, exhibiting a broad spectrum of biological activities, such as antiviral, anticancer, anti-HIV, antibiotic, antibacterial, and antimicrobial. Additionally, they have found significant industrial applications as dyes, agrochemicals, corrosion inhibitors, photo stabilizers, and photographic materials. we disclose the synthesis and characterization of 1-azido-3-(aryl-2-yloxy)propan-2-ol drivatives. The chemistry works well with various ß-azido alcohols involving aryloxy, alkoxy and alkyl residues, and also tolerates a wide spectrum of electron-donating and electron-withdrawing functional groups in both alkyne and azide molecules. Most of ß-azidoalcohols used in these experiments were pre-synthesized by the regioselective ring opening reaction of corresponded epoxides with sodium azide, whereas the majority of terminal alkynes were prepared via SN2-type reaction of propargyl bromide and corresponded nucleophiles. To evaluate the bioactivity of title compounds, the in vitro antifungal activity of all compound was investigated against several pathogenic fungi including Candida albicans, Candida krusei, Aspergillus niger, and Trichophyton rubrum , clotrimazole and fluconazole was used as standard antifungal drugs, also To understand the antibacterial activity of synthesized compounds, they were in vitro screened against E. coli and S. aureus as Gram-negative and Gram-positive bacteria, respectively. The in vitro tests have shown the promising antifungal but marginal antibacterial activity against tested fungi and bacteria.

Keywords: biological activities, antibacterial, antifungal, 1, 2, 3-Triazole

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Authors: Vania Helena Tonussi Vidal, Ester Eliane Jeunon

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This article aims to analyze the change processes of management related bureaucracy and learning organization model. The theoretical framework was based on Beer and Nohria (2001) model, identified as E and O Theory. Based on this theory the empirical research was conducted in connection with six key dimensions: goal, leadership, focus, process, reward systems and consulting. We used a case study of an educational Institution located in Barbacena, Minas Gerais. This traditional center of technical knowledge for long time adopted the bureaucratic way of management. After many changes in a business model, as the creation of graduate and undergraduate courses they decided to make a deep change in management model that is our research focus. The data were collected through semi-structured interviews with director, managers and courses supervisors. The analysis were processed by the procedures of Collective Subject Discourse (CSD) method, develop by Lefèvre & Lefèvre (2000), Results showed the incremental growing of management model toward a learning organization. Many impacts could be seeing. As negative factors we have: people resistance; poor information about the planning and implementation process; old politics inside the new model and so on. Positive impacts are: new procedures in human resources, mainly related to manager skills and empowerment; structure downsizing, open discussions channel; integrated information system. The process is still under construction and now great stimulus is done to managers and employee commitment in the process.

Keywords: bureaucracy, organizational learning, organizational change, E and O theory

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Authors: Rasaq Bolakale Salau, Maimuna Muhammad Abubakar, Jonathan Yisa, Muhammad Tauheed Bisiriyu, Jimoh Oladejo Tijani, Alexander Ifeanyi Ajai

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Vegetables oils are widely consumed in Nigeria. This has led to competitive manufacture of various oil brands. This leads increasing tendencies for fraud, labelling misinformation and other unwholesome practices. A total of thirty samples including raw and corresponding branded samples of vegetable oils were collected. The Oils were extracted from raw ground nut, soya bean and oil palm fruits. The GC-MS data was subjected to chemometric techniques of PCA and HCA. The SOLO 8.7 version of the standalone chemometrics software developed by Eigenvector research incorporated and powered by PLS Toolbox was used. The GCMS fingerprint gave basis for discrimination as it reveals four predominant but unevenly distributed fatty acids: Hexadecanoic acid methyl ester (10.27- 45.21% PA), 9,12-octadecadienoic acid methyl ester (10.9 - 45.94% PA), 9-octadecenoic acid methyl ester (18.75 - 45.65%PA), and Eicosanoic acid methyl ester (1.19% - 6.29%PA). In PCA modelling, two PCs are retained at cumulative variance captured at 73.15%. The score plots indicated that palm oil brands are most aligned with raw palm oil. PCA loading plot reveals the signature retention times between 4.0 and 6.0 needed for quality assurance and authentication of the oils samples. They are of aromatic hydrocarbons, alcohols and aldehydes functional groups. HCA dendrogram which was modeled using Euclidian distance through Wards method, indicated co-equivalent samples. HCA revealed the pair of raw palm oil brand and palm oil brand in the closest neighbourhood (± 1.62 % A difference) based on variance weighted distance. It showed Palm olein brand to be most authentic. In conclusion, based on the GCMS data with chemometrics, the authenticity of the branded samples is ranked as: Palm oil > Soya oil > groundnut oil.

Keywords: vegetable oil, authenticity, chemometrics, PCA, HCA, GC-MS

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Authors: Syed Ameer Haider Jafri

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The primary goal of a root canal treatment in deciduous teeth is to eliminate infection and to retain the tooth in a functional state until it gets physiologically exfoliated and replaced by permanent successor. Important requisite of a root canal filling material for primary teeth is that, it should resorb at a similar rate as the roots of primary tooth, be harmless to the periapical tissue and to the permanent tooth germ, resorb readily if pushed beyond the apex, be antiseptic, radio-opaque, should not shrink, adhere to the walls, not discolor the tooth and easy to fill & remove, if required at any stage. Presently available, commonly used obturating materials for primary teeth are zinc oxide eugenol, calcium hydroxide and iodoform based pastes. None of these materials so far meet the ideal requirement of root canal filling material. So in search of ideal obturating material, this study was planed, in which mixture of calcium hydroxide, zinc oxide & sodium fluoride and mixture of calcium hydroxide & sodium fluoride was compared clinically and radiographically with calcium hydroxide for the obturation of root canals of 75 carious exposed primary mandibular second molars of 59 children aged 4-9 years. All the three material shows good results, but after a follow-up of 9 months mixture of calcium hydroxide, two percent sodium fluoride & zinc oxide powder closely follow the resorption of root, mixture of calcium hydroxide, two percent sodium fluoride follow resorption of root in the beginning but later on majority of cases shows faster resorption whereas calcium hydroxide starts depleting from the canal from the beginning even as early as 3 months. Thus mixture of calcium hydroxide, two percent sodium fluoride & zinc oxide found to be best obturaring material for primary tooth.

Keywords: obturating material, primary teeth, root canal treatment, success rate

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Authors: Mirko Ante, Şeniz Sörgel, Andreas Bund

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Li-S- (Lithium-Sulfur-) battery systems provide very high specific gravimetric energy (2600 Wh/kg) and volumetric energy density (2800Wh/l). Hence, Li-S batteries are one of the key technologies for both the upcoming electromobility and stationary applications. Furthermore, the Li-S battery system is potentially cheap and environmentally benign. However, the technical implementation suffers from cycling stability, low charge and discharge rates and incomplete understanding of the complex polysulfide reaction mechanism. The aim of this work is to develop an effective electrocatalyst for the polysulfide reactions so that the electrode kinetics of the sulfur half-cell will be improved. Accordingly, the overvoltage will be decreased, and the efficiency of the cell will be increased. An enhanced electroactive surface additionally improves the charge and discharge rates. To reach this goal, functionalized electrocatalytic coatings are investigated to accelerate the kinetics of the polysulfide reactions. In order to determine a suitable electrocatalyst, apparent exchange current densities of a variety of materials (Ni, Co, Pt, Cr, Al, Cu, ITO, stainless steel) have been evaluated in a polysulfide containing electrolyte by potentiodynamic measurements and a Butler-Volmer fit including diffusion limitation. The samples have been examined by Scanning Electron Microscopy (SEM) after the potentiodynamic measurements. Up to now, our work shows that cobalt is a promising material with good electrocatalytic properties for the polysulfide reactions and good chemical stability in the system. Furthermore, an electrodeposition from a modified Watt’s nickel electrolyte with a sulfur source seems to provide an autocatalytic effect, but the electrocatalytic behavior decreases after several cycles of the current-potential-curve.

Keywords: electrocatalyst, energy storage, lithium sulfur battery, sulfur electrode materials

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Authors: Rebecca Hafner, David Elmes, Daniel Read

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The current research applies decision-making theory to the problem of increasing uptake of energy efficient technologies in the market place, where uptake is currently slower than one might predict following rational choice models. We apply the alignable/non-alignable features effect and explore the impact of varying information structure on the consumers’ preference for standard versus energy efficient technologies. In two studies we present participants with a choice between similar (boiler vs. boiler) vs. dissimilar (boiler vs. heat pump) technologies, described by a list of alignable and non-alignable attributes. In study One there is a preference for alignability when options are similar; an effect mediated by an increased tendency to infer missing information is the same. No effects of alignability on preference are found when options differ. One explanation for this split-shift in attentional focus is a change in construal levels potentially induced by the added consideration of environmental concern. Study two was designed to explore the interplay between alignability and construal level in greater detail. We manipulated construal level via a thought prime task prior to taking part in the same heating systems choice task, and find that there is a general preference for non-alignability, regardless of option type. We draw theoretical and applied implications for the type of information structure best suited for the promotion of energy efficient technologies.

Keywords: alignability effects, decision making, energy-efficient technologies, sustainable behaviour change

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Authors: Ekaterina Zubkova, Irina Beloglazova, Iurii Stafeev, Konsyantin Dergilev, Yelena Parfyonova, Mikhail Menshikov

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Mesenchymal stromal cells from adipose tissue (MSC) currently are widely used in regenerative medicine to restore the function of damaged tissues, but that is significantly hampered by their heterogeneity. One of the modern approaches to overcoming this obstacle is the polarization of cell subpopulations into a specific phenotype under the influence of cytokines and other factors that activate receptors and signal transmission to cells. We polarized MSC with factors affecting the inflammatory signaling and functional properties of cells, followed by verification of their expression profile and ability to affect the polarization of macrophages. RT-PCR evaluation showed that cells treated with LPS, interleukin-17, tumor necrosis factor α (TNF α), primarily express pro-inflammatory factors and cytokines, and after treatment with polyninosin polycytidic acid and interleukin-4 (IL4) anti-inflammatory factors and some proinflammatory factors. MSC polarized with pro-inflammatory cytokines showed a more robust pro-angiogenic effect in fibrin gel bead 3D angiogenesis assay. Further, we evaluated the possibility of paracrine effects of MSCs on the polarization of intact macrophages. Polarization efficiency was assesed by expression of M1/M2 phenotype markers CD80 and CD206. We showed that conditioned media from MSC preincubated in the presence of IL-4 cause an increase in CD206 expression similar to that observed in M2 macrophages. Conditioned media from MSC polarized in the presence of LPS or TNF-α increased the expression of CD80 antigen in macrophages, similar to that observed in M1 macrophages. In other cases, a pronounced paracrine effect of MSC on the polarization of macrophages was not detected. Thus, our study showed that the polarization of MSC along the pro-inflammatory or anti-inflammatory pathway allows us to obtain cell subpopulations that have a multidirectional modulating effect on the polarization of macrophages. (RFBR grants 20-015-00405 and 18-015-00398.)

Keywords: angiogenesis, cytokines, mesenchymal, polarization, inflammation

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Authors: Siti Dewi Aisyah

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Islamic Muslim fashion has become a trend in Indonesia. It is said that social media has a huge impact on its development. Indonesia is ranked among the most users of social media. That is why people who wear hijab also use social media for different purposes, one of this is to introduce hijab fashion. Consequently, they are becoming famous in social media. Social media has become a tool for communicating their beliefs as a Muslim as well as personal branding as a good hijabi yet with a fashionable style. This research will examine the social media such as Blog and Instagram, how it triggers the consumer culture to hijabi, what is the actual meaning behind of their feed posts in their social media, how they produce good photograph in their social media and for what reason they use social media. This research had been conducted through in-depth interviews with several bloggers who created Hijabers Community who have made a new trend in Muslim fashion and also Instagrammers who made their feeds as a style inspiration. The methodology used for this research is by analyzing Blog and Instagram through visual analysis that also examines the semiotic meaning behind the photographs that are posted by the people on the social media especially about the Islamic Modest Fashion trend. The theoretical framework for this research is about studying social media that is examined through visual analysis. The Muslim fashion trend was lead by several bloggers and continued to Instagram which then created a consumption pattern. From colourful colors, pastel colors, monochrome colors to neutral coffee tone colors, it was influenced by the Muslim fashion designers that also become digital influencers in social media. It was concluded that social media had been a powerful promotional and effective tool to change the trend in Indonesian Muslim Fashion trend.

Keywords: blog, instagram, consumer culture, muslim fashion, social media, visual analysis

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Authors: Seyilnan Hannah Wadak, Dangway Monica Clement

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This theoretical study explores distinct teaching methods and practices for integrating sustainable development principles into vocational education. It examines how vocational institutions can prepare students for a sustainability-oriented workforce while addressing environmental and social challenges. The research analyzes current literature, case studies, and emerging trends to identify effective strategies for incorporating sustainability across various vocational disciplines. Key approaches discussed include experiential learning, green skills training, and interdisciplinary projects that simulate real-world sustainability challenges. The study also investigates the role of technology, such as virtual reality and online collaboration tools, in enhancing sustainability education. Additionally, it addresses the importance of industry partnerships and community engagement in creating relevant, practical learning experiences. The paper highlights potential barriers to implementation and proposes solutions for overcoming them, including professional development for educators and curriculum redesign. Findings suggest that integrating sustainability into vocational education not only enhances students’ employability but also contributes to broader societal goals of sustainable development. This research provides a comprehensive framework for educational institutions and policymakers to transform vocational programs, ensuring they meet the evolving demands of a sustainable future.

Keywords: vocational education, sustainable development, teaching methods, experiential learning, green skills, curriculum integration, industry partnerships, educational technology

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Authors: Younes Abed

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The successful application of in-situ testing of soils heavily depends on development of interpretation methods of tests. The pressuremeter test simulates the expansion of a cylindrical cavity and because it has well defined boundary conditions, it is more unable to rigorous theoretical analysis (i. e. cavity expansion theory) then most other in-situ tests. In this article, and in order to make the identification process more convenient, we propose a relatively simple procedure which involves the numerical identification of some mechanical parameters of a granular soil, especially, the elastic modulus and the friction angle from a pressuremeter curve. The procedure, applied here to identify the parameters of generalised prager model associated to the Drucker & Prager criterion from a pressuremeter curve, is based on an inverse analysis approach, which consists of minimizing the function representing the difference between the experimental curve and the curve obtained by integrating the model along the loading path in in-situ testing. The numerical process implemented here is based on the established finite element program. We present a validation of the proposed approach by a database of tests on expansion of cylindrical cavity. This database consists of four types of tests; thick cylinder tests carried out on the Hostun RF sand, pressuremeter tests carried out on the Hostun sand, in-situ pressuremeter tests carried out at the site of Fos with marine self-boring pressuremeter and in-situ pressuremeter tests realized on the site of Labenne with Menard pressuremeter.

Keywords: granular soils, cavity expansion, pressuremeter test, finite element method, identification procedure

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Authors: O.Ofoegbu, S. Roongnapa, A.N. Eboatu

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Most polluted environments, most challengingly, aerosol types, contain a cocktail of different toxicants. Multi-templating of matrices have been the recent target by researchers in a bid to solving complex mixed-toxicant challenges using single or common remediation systems. This investigation looks at the effect of such multi-templated system vis-a-vis the synthesis by non-covalent interaction, of a molecularly imprinted polymer architecture using nicotine and its structural analogue Phenylalanine amide individually and, in the blend, (50:50), as template materials in a Chitosan-Methacrylic acid functional monomer matrix. The temperature for polymerization is 60OC and time for polymerization, 12hrs (water bath heating), 4mins for (microwave heating). The characteristic thermal properties of the molecularly imprinted materials are investigated using Simultaneous Thermal Analysis (STA) profiling, while the absorption and separation efficiencies based on the relative retention times and peak areas of templates were studied amongst other properties. Transmission Electron Microscopy (TEM) results obtained, show the creation of heterogeneous nanocavities, regardless, the introduction of Caffeine a close structural analogue presented near-zero perfusion. This confirms the selectivity and specificity of the templated polymers despite its dual-templated nature. The STA results presented the materials as having decomposition temperatures above 250OC and a relative loss in mass of less than19% over a period within 50mins of heating. Consequent to this outcome, multi-templated systems can be fabricated to sequester specifically and selectively targeted toxicants in a mixed toxicant populated system effectively.

Keywords: chitosan, dual-templated, methacrylic acid, mixed-toxicants, molecularly-imprinted-polymer

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Authors: Jia-Jia He, Lin Jiang, Jin-Hua Sun

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Rigid polyurethane foam (RPU) has been extensively applied in building insulation system, yet with high flammability for being easily ignited by high temperature spark or radiative heat flux from other flaming materials or surrounding building facade. Using a cone calorimeter by Fire Testing Technology and thermal couple tree, this study systematically investigated the effect of radiative heat flux on the ignition time and characteristic temperature distribution during RPU combustion under different heat fluxes gradient (12, 15, 20, 25, 30, 35, 40, 45, and 50 kW/m²) with spark ignition/ignition by radiation. The ignition time decreases proportionally with increase of external heat flux, meanwhile increasing the external heat flux raises the peak heat release rate and impresses on the vertical temperature distribution greatly. The critical ignition heat flux is found to be 15 and 25 kW/m² for spark ignition and radiative ignition, respectively. Based on previous experienced ignition formula, a methodology to predict ignition times in both modes has been developed theoretically. By analyzing the heat transfer mechanism around the sample surroundings, both radiation from cone calorimeter and convection flow are considered and calculated theoretically. The experimental ignition times agree well with the theoretical ones in both radiative and convective conditions; however, the observed critical ignition heat flux is higher than the calculated one under piloted-ignition mode because the heat loss process, especially in lower heat flux radiation, is not considered in this developed methodology.

Keywords: rigid polyurethane foam, cone calorimeter, ignition time, external heat flux

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Authors: C. Panebianco, K. Adamberg, S. Adamberg, C. Saracino, M. Jaagura, K. Kolk, A. Di Chio, P. Graziano, R. Vilu, V. Pazienza

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Background/Aims: Despite recent advances in treatment options, a modest impact on the outcome of the pancreatic cancer (PC) is observed so far. Short-term fasting cycles have the potential to improve the efficacy of chemotherapy against PC. However, diseased people may refuse to follow the fasting regimen and fasting may worsen the weight loss often occurring in cancer patients. Therefore, alternative approaches are needed. The aim of this study was to assess the effect of Engineered Low glycemic food ELGIF mimicking diet on growth of cancer cell lines in vitro and in an in vivo pancreatic cancer mouse xenograft model. Materials and Methods: BxPC-3, MiaPaca-2 and Panc-1 cells were cultured in control and ELGIF mimicking diet culturing condition to evaluate the tumor growth and proliferation pathways. Pancreatic cancer xenograft mice were subjected to ELGIF to assess the tumor volume and weight as compared to mice fed with control diet. Results: Pancreatic cancer cells cultured in ELGIF mimicking medium showed decreased levels of proliferation as compared to those cultured in the standard medium. Consistently, xenograft pancreatic cancer mice subjected to ELGIF diet displayed a significant decrease in tumor growth. Conclusion: A positive effect of ELGIF diet on proliferation in vitro is associated with the decrease of tumor progression in the in vivo PC xenograft mouse model. These results suggest that engineered dietary interventions could be supportive as synergistic approach to enhance the efficacy of existing cancer treatments in pancreatic cancer patients.

Keywords: functional food, microbiota, mouse model, pancreatic cancer

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Authors: Xinxin Ma, Guangze Tang, Shuxin Yang, Jinguang He, Fan Zhang, Peiling Sun, Ming Liu, Minyu Sun, Liqin Wang

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As a traditional surface hardening technique, shot peening is widely used in industry. By using shot peening, a residual compressive stress is formed in the surface which is beneficial for improving the fatigue life of metal materials. At the same time, very fine grains and high density defects are generated in the surface layer which enhances the surface hardness, either. However, most of the processes are carried out at room temperature. For high strength steel, such as M50, the thickness of the strengthen layer is limited. In order to obtain a thick strengthen surface layer, elevated temperature shot peening was carried out in this work by using Φ1mm cast ion balls with a speed of 80m/s. Considering the tempering temperature of M50 steel is about 550 oC, the processing temperature was in the range from 300 to 500 oC. The effect of processing temperature and processing time of shot peening on distribution of residual stress and surface hardness was investigated. As we known, the working temperature of M50 steel can be as high as 315 oC. Because the defects formed by shot peening are unstable when the working temperature goes higher, it is worthy to understand what happens during the shot peening process, and what happens when the strengthen samples were kept at a certain temperature. In our work, the shot peening time was selected from 2 to 10 min. And after the strengthening process, the samples were annealed at various temperatures from 200 to 500 oC up to 60 h. The results show that the maximum residual compressive stress is near 900 MPa. Compared with room temperature shot peening, the strengthening depth of 500 oC shot peening sample is about 2 times deep. The surface hardness increased with the processing temperature, and the saturation peening time decreases. After annealing, the residual compressive stress decreases, however, for 500 oC peening sample, even annealing at 500 oC for 20 h, the residual compressive stress is still over 600 MPa. However, it is clean to see from SEM that the grain size of surface layers is still very small.

Keywords: shot peening, M50 steel, residual compressive stress, elevated temperature

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Authors: Muhammad Saeed, Nazeer Ahmed, Mukhtar Alam, Fazli Subhan, Muhammad Adnan, Fazli Wahid, Hidayat Ullah, Rafiullah

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The present experiment evaluated different synthetic insecticides against Jassid (Amrasca devastations) on pea crop at Agriculture Research Institute Tarnab, Peshawar Khyber Pakhtunkhwa. The field was prepared to cultivate okra crop in Randomized Complete Block (RCB) Design having six treatments with four replications. Plant to plant and row to row distance was kept at 15 cm and 30 cm, respectively. Pre and post spray data were recorded randomly from the top, middle and bottom leaves of five selected plants. Five synthetic insecticides, namely Confidor (Proponil), a neonicotinoid insecticide, Chlorpyrifos (chlorinated organophosphate (OP) insecticide), Lazer (dinitroaniline) (Pendimethaline), Imidacloprid (neonicotinoids insecticide) and Thiodan (Endosulfan, organochlorine insecticide), were used against infestation of aphids, pea pod borer, stem fly, leaf minor and pea weevil. Each synthetic insecticide showed significantly more effectiveness than control (untreated plots) but was non-significant among each other. The lowest population density was recorded in the plot treated with synthetic insecticide i.e. Confidor (0.6175 liter.ha-1) (4.24 aphids plant⁻¹) which is followed by Imidacloprid (0.6175 liter.ha⁻¹) (4.64 pea pod borer plant⁻¹), Thiodan (1.729 liter.ha⁻¹) (4.78 leaf minor plant⁻¹), Lazer (2.47 liter.ha-1) (4.91 pea weevil plant⁻¹), Chlorpyrifos (1.86 liter.ha⁻¹) (5.11 stem fly plant⁻¹), respectively while the highest population was recorded from the control plot. It is concluded from the data that the residual effect decreases with time after the application of spray, which may be less dangerous to the environment and human beings and can effectively manage this dread.

Keywords: okra crop, jassids, Confidor, imidacloprid, chlorpyrifos, laser, Thiodan

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Authors: Seung-Min Yang, Seong-Han Park, Sang-Hoon Lee, Seung-Wan Yoo, Chan-Soo Kim, Nong-Moon Hwang

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The theory of charged nanoparticles suggested that in many Chemical Vapour Depositions (CVD) processes, Charged Nanoparticles (CNPs) are generated in the gas-phase and become a building block of thin films and nanowires. Recently, the nanoparticle-based crystallization has become a big issue since the growth of nanorods or crystals by the building block of nanoparticles was directly observed by transmission electron microscopy observations in the liquid cell. In an effort to confirm charged gas-phase nuclei, that might be generated under conventional processing conditions of thin films and nanowires during CVD, we performed an in-situ measurement using differential mobility analyser and particle beam mass spectrometer. The size distribution and number density of CNPs were affected by process parameters such as precursor flow rate and working temperature. It was shown that many films and nanostructures, which have been believed to grow by individual atoms or molecules, actually grow by the building blocks of such charged nuclei. The electrostatic interaction between CNPs and the growing surface induces the self-assembly into films and nanowires. In addition, the charge-enhanced atomic diffusion makes CNPs liquid-like quasi solid. As a result, CNPs tend to land epitaxial on the growing surface, which results in the growth of single crystalline nanowires with a smooth surface.

Keywords: chemical vapour deposition, charged nanoparticle, electrostatic force, nanostructure evolution, differential mobility analyser, particle beam mass spectrometer

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Authors: Tsegay Giday Woldu, Haibin Zhang, Xin Zhang, Yemane Hailu Fissuh

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It is well known that nonlinear conjugate gradient method is one of the widely used first order methods to solve large scale unconstrained smooth optimization problems. Because of the low memory requirement, attractive theoretical features, practical computational efficiency and nice convergence properties, nonlinear conjugate gradient methods have a special role for solving large scale unconstrained optimization problems. Large scale optimization problems are with important applications in practical and scientific world. However, nonlinear conjugate gradient methods have restricted information about the curvature of the objective function and they are likely less efficient and robust compared to some second order algorithms. To overcome these drawbacks, the new modified nonlinear conjugate gradient method is presented. The noticeable features of our work are that the new search direction possesses the sufficient descent property independent of any line search and it belongs to a trust region. Under mild assumptions and standard Wolfe line search technique, the global convergence property of the proposed algorithm is established. Furthermore, to test the practical computational performance of our new algorithm, numerical experiments are provided and implemented on the set of some large dimensional unconstrained problems. The numerical results show that the proposed algorithm is an efficient and robust compared with other similar algorithms.

Keywords: conjugate gradient method, global convergence, large scale optimization, sufficient descent property

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Authors: Junya Kouwa, Shinsuke Matsuno, Chihiro Inoue, Takehiro Himeno, Toshinori Watanabe

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Bi-propellant thrusters use impinging jet atomization to atomize liquid fuel and oxidizer. Atomized propellants are mixed and combusted due to auto-ignitions. Therefore, it is important for a prediction of thruster’s performance to simulate the primary atomization phenomenon; especially, the local mixture ratio can be used as indicator of thrust performance, so it is useful to evaluate it from numerical simulations. In this research, we propose a numerical method for considering bi-liquid and the mixture and install it to CIP-LSM which is a two-phase flow simulation solver with level-set and MARS method as an interfacial tracking method and can predict local mixture ratio distribution downstream from an impingement point. A new parameter, beta, which is defined as the volume fraction of one liquid in the mixed liquid within a cell is introduced and the solver calculates the advection of beta, inflow and outflow flux of beta to a cell. By validating this solver, we conducted a simple experiment and the same simulation by using the solver. From the result, the solver can predict the penetrating length of a liquid jet correctly and it is confirmed that the solver can simulate the mixing of liquids. Then we apply this solver to the numerical simulation of impinging jet atomization. From the result, the inclination angle of fan after the impingement in the bi-liquid condition reasonably agrees with the theoretical value. Also, it is seen that the mixture of liquids can be simulated in this result. Furthermore, simulation results clarify that the injecting condition affects the atomization process and local mixture ratio distribution downstream drastically.

Keywords: bi-propellant thrusters, CIP-LSM, free-surface flow simulation, impinging jet atomization

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Authors: Modi M. Ahmed, Noor Al-Dousari, Ali M. Al-Dousari

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Cornulaca aucheri is an annual herb consider as disturbance indicator currently visible and widely distributed in disturbed lands in Liyah area. Such area is suffered from severe land degradation due to multiple interacting factors such as, overgrazing, gravel and sand quarrying, military activities and natural process. The restoration program is applied after refilled quarries sites and levelled the surface irregularities in order to rehabilitate the natural vegetation and wildlife to its original shape. During the past 10 years of rehabilitation, noticeable greenery healthy cover of Cornulaca sp. are shown specially around artificial lake and playas. The existence of such species in high density it means that restoration program has succeeded and transit from bare ground state to Cornulaca and annual forb state. This state is lower state of Range State Transition Succession model, but it is better than bare soil. Cornulaca spp is native desert plant grows in arid conditions on sandy, stony ground, near oasis, on sand dunes and in sandy depressions. The sheep and goats are repulsive of it. Despite its spiny leaves, it provides good grazing for camels and is said to increase the milk supply produced by lactating females. It is about 80 cm tall and has stems that branched from the base with new faster greenery growth in the summer. It shows good environmental potential to be managed as natural types used for the restoration of degraded lands in desert areas.

Keywords: land degradation, range state transition succession model, rehabilitation, restoration program

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Authors: Paula Buldres, Jorge Toledo

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Objectives: This study aimed to characterize potential probiotic strains isolated from canine breast milk for use in dogs with enteropathies. Methodology: Six canine breast milk strains, one canine colostrum strain, and one control porcine breast milk strain were characterized. According to its functional properties of resistance to acids, different concentrations of bile salts, and pancreatin, its presumptive properties of safety and inhibitory effect on pathogens, non-cytotoxic characteristics, and adhesion to the intestine. The immunomodulatory effect of formulations with better probiotic characterization in vitro and in vivo was also analyzed. Results: Two strains characterized as potential probiotics were obtained, which corresponded to the canine strains (TUCO-16 and TUCO-17), presenting resistance to acidic pH, bile salts, and pancreatin, as well as an inhibitory effect on pathogenic Escherichia coli, Salmonella sp., and Clostridium perfringens. Strains TUCO-16 and TUCO-17 induced a significant increase in the expression of TNF-α and IL-8 in canine macrophages, respectively. Expression analyses of pattern recognition receptors in DH82 cells suggest that TUCO-16 and TUCO-17 might increase the TLR2 expression marker, and porcine strain (TUCO-4) increases the NOD2 expression marker. Based on the count obtained and the encapsulation yield, the best formulations correspond to FOS-Inulin for the TUCO-17 and TUCO-4 strains; Maltodextrin-Inulin for TUCO-16. All the strains are non-cytotoxic. The strain that showed the highest adhesion to intestinal epithelial cells was TUCO-17 with the FOS-Inulin formulation. On the other hand, the probiotics decreased the expression of pro-inflammatory markers in vivo, both in the intestine and in the spleen of mice. Conclusion: The combination of these three strains under study (TUCO-16, TUCO-17, and TUCO-4) would cover the probiotic properties in formulation and immunomodulation of all the markers under study.

Keywords: probiotics, gastrointestinal infec, dog, probiotic formulation, immunomodulatory probiotics

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Authors: Pranas Baltrėnas, Dainius Paliulis

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Cyclones are widely used for separating particles from gas in energy production objects. Efficiency of normal centrifugal air cleaning devices ranges from 85 to 90%, but weakness of many cyclones is low collection efficiency of particles less than 10 μm in diameter. Many factors have impact on cyclone efficiency – humidity, temperature, gas (air) composition, airflow velocity and etc. Many scientists evaluated only effect of origin and size of PM on cyclone efficiency. Effect of gas (air) composition and temperature on cyclone efficiency still demands contributions. Complex experimental research on efficiency of cylindrical eight-channel system with adjustable half-rings for removing fine dispersive particles (< 20 μm) was carried out. The impact of gaseous smoke components on removal of wood ashes was analyzed. Gaseous components, present in the smoke mixture, with the dynamic viscosity lower than that of same temperature air, decrease the d50 value, simultaneously increasing the overall particulate matter removal efficiency in the cyclone, i.e. this effect is attributed to CO2 and CO, while O2 and NO have the opposite effect. Air temperature influences the d50 value, an increase in air temperature yields an increase in d50 value, i.e. the overall particulate matter removal efficiency declines, the reason for this being an increasing dynamic air viscosity. At 120 °C temperature the d50 value is approximately 11.8 % higher than at air temperature of 20 °C. With an increase in smoke (gas) temperature from 20 °C to 50 °C, the aerodynamic resistance in a 1-tier eight-channel cylindrical cyclone drops from 1605 to 1380 Pa, from 1660 to 1420 Pa in a 2-tier eight-channel cylindrical cyclone, from 1715 to 1450 Pa in a 3-tier eight-channel cylindrical cyclone. The reason for a decline in aerodynamic resistance is the declining gas density. The aim of the paper is to analyze the impact of gaseous smoke components on the eight–channel cyclone with tangential inlet.

Keywords: cyclone, adjustable half-rings, particulate matter, efficiency, gaseous compounds, smoke

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Authors: Henrique Fernandes, Sofia Catalucci, Richard Leach, Kapil Sugand

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Background: Holograms are 3D images formed by the interference of light beams from a laser or other coherent light source. Pepper’s ghost is a form of hologram conceptualised in the 18th century. This Holographic visualisation with metrology measuring techniques by displaying measurements taken in real-time in holographic form can assist in research and education. New structural designs such as the Plexiglass Stand and the Hologram Box can optimise the holographic experience. Method: The equipment used included: (i) Zeiss’s ATOS Core 300 optical coordinate measuring instrument that scanned real-world objects; (ii) Cloud Compare, open-source software used for point cloud processing; and (iii) Hologram Box, designed and manufactured during this research to provide the blackout environment needed to display 3D point clouds in real-time measurements in holographic format, in addition to a portability aspect to holograms. The equipment was tailored to realise the goal of displaying measurements in an innovative technique and to improve on conventional methods. Three test scans were completed before doing a holographic conversion. Results: The outcome was a precise recreation of the original object in the holographic form presented with dense point clouds and surface density features in a colour map. Conclusion: This work establishes a way to visualise data in a point cloud system. To our understanding, this is a work that has never been attempted. This achievement provides an advancement in holographic visualisation. The Hologram Box could be used as a feedback tool for measurement quality control and verification in future smart factories.

Keywords: holography, 3D scans, hologram box, metrology, point cloud

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Authors: Jyoti Ranjan Sahoo

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Communication is a social phenomenon which mediates to our everyday life and it creates, maintains, builds, circulates, and propagates for a common identity the society. The symbolic forms of communication such as aural, sounds, oral expressions, signs, and language as means of communication are being used in everyday life in helping to identify as construction of social reality. These symbolic forms of communication are treated as the social process in everyday life. Therefore, there is an intrinsic relationship between communication and culture to understand media life for village communities. Similarly, the interface of communication with social life is reflected upon it’s formulation of the notions of social structure and culture. It has been observed that there is an overlapping and new phenomenonal change of media life among marginalized communities in general and village communities in particular. Therefore, this paper is an outcome of decadal stock of literature and an empirical investigation on understanding of communication in a tribal village in India. It has examined the idea of American scientist Edward T. Hall “the culture is communication, and the communication is culture” in village society on understanding media life. Thus, the Harold Innis’s theoretical idea of “communication” has been critically examined in these contexts since author tries to explore and understand the inter-disciplinarity on understanding media life through communication and culture which is embedded in socio-cultural life bearing on epistemological and ontological implications. The paper tries to explore and understand the inter-disciplinary and historical trajectories of communication embedded with other social science disciplines; and also tries to map these studies relevant for the future directions and engagement which would have bearing on epistemological and ontological implications in the field of media and communication.

Keywords: culture, communication, history, media, oral, tradition

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Authors: Morteza Elsa, Amirhossein Moghanian

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The major aim of this study was to evaluate the effect of CaO content on in vitro hydroxyapatite formation, MC3T3 cells cytotoxicity and proliferation as well as antibacterial efficiency of sol-gel derived SiO₂–CaO–P₂O₅ ternary system. For this purpose, first two grades of bioactive glass (BG); BG-58s (mol%: 60%SiO₂–36%CaO–4%P₂O₅) and BG-68s (mol%: 70%SiO₂–26%CaO–4%P₂O₅)) were synthesized by sol-gel method. Second, the effect of CaO content in their composition on in vitro bioactivity was investigated by soaking the BG-58s and BG-68s powders in simulated body fluid (SBF) for time periods up to 14 days and followed by characterization inductively coupled plasma atomic emission spectrometry (ICP-AES), Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), and scanning electron microscopy (SEM) techniques. Additionally, live/dead staining, 3-(4,5dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT), and alkaline phosphatase (ALP) activity assays were conducted respectively, as qualitatively and quantitatively assess for cell viability, proliferation and differentiations of MC3T3 cells in presence of 58s and 68s BGs. Results showed that BG-58s with higher CaO content showed higher in vitro bioactivity with respect to BG-68s. Moreover, the dissolution rate was inversely proportional to oxygen density of the BG. Live/dead assay revealed that both 58s and 68s increased the mean number live cells which were in good accordance with MTT assay. Furthermore, BG-58s showed more potential antibacterial activity against methicillin-resistant Staphylococcus aureus (MRSA) bacteria. Taken together, BG-58s with enhanced MC3T3 cells proliferation and ALP activity, acceptable bioactivity and significant high antibacterial effect against MRSA bacteria is suggested as a suitable candidate in order to further functionalizing for delivery of therapeutic ions and growth factors in bone tissue engineering.

Keywords: antibacterial, bioactive glass, hydroxyapatite, proliferation, sol-gel processes

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Authors: Peter M. Schneider, Batyr Garlyyev, Sebastian A. Watzele, Aliaksandr S. Bandarenka

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Functional nanostructures such as nanoparticles are a promising class of materials for energy applications due to their unique properties. Bottom-up synthetic routes for nanostructured materials often involve multiple synthesis steps and the use of surfactants, reducing agents, or stabilizers. This results in complex and extensive synthesis protocols. In recent years, a novel top-down synthesis approach to form metal nanoparticles has been established, in which bulk metal wires are immersed in an electrolyte (primarily alkali earth metal based) and subsequently subjected to a high alternating potential. This leads to the generation of nanoparticles dispersed in the electrolyte. The main advantage of this facile top-down approach is that there are no reducing agents, surfactants, or precursor solutions. The complete synthesis can be performed in one pot involving one main step with consequent washing and drying of the nanoparticles. More recent studies investigated the effect of synthesis parameters such as potential amplitude, frequency, electrolyte composition, and concentration on the size and shape of the nanoparticles. Here, we investigate the electrochemical erosion of various metal wires such as Ti, Pt, Pd, and Sn in various electrolyte compositions via this facile top-down technique and its experimental optimization to successfully synthesize nanostructured materials for various energy applications. As an example, for Pt and Pd, homogeneously distributed nanoparticles on carbon support can be obtained. These materials can be used as electrocatalyst materials for the oxygen reduction reaction (ORR) and hydrogen evolution reaction (HER), respectively. In comparison, the top-down erosion of Sn wires leads to the formation of nanoparticles, which have great potential as oxygen evolution reaction (OER) support materials. The application of the technique on Ti wires surprisingly leads to the formation of nanowires, which show a high surface area and demonstrate great potential as an alternative support material to carbon.

Keywords: ORR, electrochemistry, electrocatalyst, synthesis

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Authors: Wen-Jay Lee, Kuo-Ning Chiang

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The graphene binding with silicon substrate has apparently Schottky barriers property, which can be used in the application of solar cell and light source. Because graphene has only one atom layer, the atomistic structure of graphene binding with the silicon surface plays an important role to affect the properties of graphene. In this work, temperature effect on the morphology of graphene sheet attached on different crystal planes of silicon substrates are investigated by Molecular dynamics (MD) (LAMMPS, developed by Sandia National Laboratories). The results show that the covered graphene sheet would cause the structural deformation of the surface Si atoms of stubtrate. To achieve a stable state in the binding process, the surface Si atoms would adjust their position and fit the honeycomb structure of graphene after the graphene attaches to the Si surface. The height contour of graphene on different plane of silicon surfaces presents different pattern, leading the local residual stress at the interface. Due to the high density of dangling bond on the Si (111)7x7 surface, the surface of Si(111)7x7 is not matching with the graphene so well in contrast with Si(100)2x1and Si(111)2x1. Si(111)7x7 is found that only partial silicon adatoms are rearranged on surface after the attachment when the temperature is lower than 200K, As the temperature gradually increases, the deformation of surface structure becomes significant, as well as the residue stress. With increasing temperature till the 815K, the graphene sheet begins to destroy and mixes with the silicon atoms. For the Si(100)2x1 and Si(111)2x1, the silicon surface structure keep its structural arrangement with a higher temperature. With increasing temperature, the residual stress gradually decrease till a critical temperatures. When the temperature is higher than the critical temperature, the residual stress gradually increases and the structural deformation is found on the surface of the Si substrates.

Keywords: molecular dynamics, graphene, silicon, Schottky barriers, interface

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Authors: Hamidreza Namazi

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Fractal analysis is assessing fractal characteristics of data. It consists of several methods to assign fractal characteristics to a dataset which may be a theoretical dataset or a pattern or signal extracted from phenomena including natural geometric objects, sound, market fluctuations, heart rates, digital images, molecular motion, networks, etc. Fractal analysis is now widely used in all areas of science. An important limitation of fractal analysis is that arriving at an empirically determined fractal dimension does not necessarily prove that a pattern is fractal; rather, other essential characteristics have to be considered. For this purpose a Visual C++ based software called FRATSAN (FRActal Time Series ANalyser) was developed which extract information from signals through three measures. These measures are Fractal Dimensions, Jeffrey’s Measure and Hurst Exponent. After computing these measures, the software plots the graphs for each measure. Besides computing three measures the software can classify whether the signal is fractal or no. In fact, the software uses a dynamic method of analysis for all the measures. A sliding window is selected with a value equal to 10% of the total number of data entries. This sliding window is moved one data entry at a time to obtain all the measures. This makes the computation very sensitive to slight changes in data, thereby giving the user an acute analysis of the data. In order to test the performance of this software a set of EEG signals was given as input and the results were computed and plotted. This software is useful not only for fundamental fractal analysis of signals but can be used for other purposes. For instance by analyzing the Hurst exponent plot of a given EEG signal in patients with epilepsy the onset of seizure can be predicted by noticing the sudden changes in the plot.

Keywords: EEG signals, fractal analysis, fractal dimension, hurst exponent, Jeffrey’s measure

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Authors: Ibrahim Sengor, Sumeyye Cesur, Ilyas Kartal, Faik Nuzhet Oktar, Nazmi Ekren, Ahmet Talat Inan, Oguzhan Gunduz

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In recent years, many researchers focused on nano-size fiber production. Nanofibers have been studied due to their different and superior physical, chemical and mechanical properties. Poly (lactic acid) (PLA), is a type of biodegradable thermoplastic polyester derived from renewable sources used in biomedical owing to its biocompatibility and biodegradability. In addition, zinc oxide is an antibacterial material and hazelnut shell powder is a filling material. In this study, nanofibers were obtained by adding of different ratio Zinc oxide, (ZnO) and hazelnut shell powder at different concentration into Poly (lactic acid) (PLA) by using electrospinning method which is the most common method to obtain nanofibers. After dissolving the granulated polylactic acids in % 1,% 2,% 3 and% 4 with chloroform solvent, they are homogenized by adding tween and hazelnut shell powder at different ratios and then by electrospinning, nanofibers are obtained. Scanning electron microscope (SEM), Fourier transform infrared spectroscopy (FTIR), Differential scanning calorimeter (DSC) and physical analysis such as density, electrical conductivity, surface tension, viscosity measurement and antimicrobial test were carried out after production process. The resulting structures of the nanofiber possess antimicrobial and antiseptic properties, which are attractive for biomedical applications. The resulting structures of the nanofiber possess antimicrobial, non toxic, self-cleaning and rigid properties, which are attractive for biomedical applications.

Keywords: electrospinning, hazelnut shell powder, nanofibers, poly (lactic acid), zinc oxide

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Authors: Jane Mullen, Ann Rheaume, Kevin Kelloway

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Research on the effects of inconsistent safety leadership is limited, particularly regarding employee safety behavior in organizations. Inconsistent safety leadership occurs when organizational leaders display both effective and ineffective styles of safety leadership (i.e., transformational vs laissez-faire). In this study, we examine the effect of inconsistent safety leadership style on employee safety participation. Defined as the interaction of S.A.F.E.R (Speak, Act, Focus, Engage and Recognize) leadership style and passive leadership style, inconsistent safety leadership was found to be a significant predictor of safety participation in a sample of 307 nurses in Eastern Canada. Results of the moderated regression analysis also showed a significant main effect for S.A.F.E.R leadership, but not for passive leadership. To further explore the significant interaction, the simple slopes for S.A.F.E.R leadership at high and low levels (1 SD above and below the mean) of passive leadership were plotted. As predicted, the positive effects of S.A.F.E.R leadership behavior were attenuated when leaders were perceived by employees as also displaying high levels of passive leadership (i.e., inconsistent leadership styles). The research makes important theoretical and practical contributions to the occupational health and safety literature. The results demonstrate that leadership behavior, which is characteristic of the S.A.F.E.R model, is positively associated with employee safety participation. This finding is particularly important as researchers continue to explore what leaders can do to engage employees in work-related safety activities. The results also demonstrate how passive leadership may undermine the positive outcomes associated with safety leadership behavior in organizations. The data suggest that employee safety behavior is highest when leaders engage in safety effective leadership behavior on a consistent basis, rather than periodically.

Keywords: employee safety behavior, leadership, participation, safety training

Procedia PDF Downloads 370