Search results for: activation constant
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 3014

Search results for: activation constant

1004 Efficient Mercury Sorbent: Activated Carbon and Metal Organic Framework Hybrid

Authors: Yongseok Hong, Kurt Louis Solis

Abstract:

In the present study, a hybrid sorbent using the metal organic framework (MOF), UiO-66, and powdered activated carbon (pAC) is synthesized to remove cationic and anionic metals simultaneously. UiO-66 is an octahedron-shaped MOF with a Zr₆O₄(OH)₄ metal node and 1,4-benzene dicarboxylic acid (BDC) organic linker. Zr-based MOFs are attractive for trace element remediation in wastewaters, because Zr is relatively non-toxic as compared to other classes of MOF and, therefore, it will not cause secondary pollution. Most remediation studies with UiO-66 target anions such as fluoride, but trace element oxyanions such as arsenic, selenium, and antimony have also been investigated. There have also been studies involving mercury removal by UiO-66 derivatives, however these require post-synthetic modifications or have lower effective surface areas. Activated carbon is known for being a readily available, well-studied, effective adsorbent for metal contaminants. Solvothermal method was employed to prepare hybrid sorbent from UiO66 and activated carbon, which could be used to remove mercury and selenium simultaneously. The hybrid sorbent was characterized using FSEM-EDS, FT-IR, XRD, and TGA. The results showed that UiO66 and activated carbon are successfully composited. From BET studies, the hybrid sorbent has a SBET of 1051 m² g⁻¹. Adsorption studies were performed, where the hybrid showed maximum adsorption of 204.63 mg g⁻¹ and 168 mg g⁻¹ for Hg (II) and selenite, respectively, and follows the Langmuir model for both species. Kinetics studies have revealed that the Hg uptake of the hybrid is pseudo-2nd order and has rate constant of 5.6E-05 g mg⁻¹ min⁻¹ and the selenite uptake follows the simplified Elovich model with α = 2.99 mg g⁻¹ min⁻¹, β = 0.032 g mg⁻¹.

Keywords: adsorption, flue gas wastewater, mercury, selenite, metal organic framework

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1003 Electrochemical Sensing of L-Histidine Based on Fullerene-C60 Mediated Gold Nanocomposite

Authors: Sanjeeb Sutradhar, Archita Patnaik

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Histidine is one of the twenty-two naturally occurring essential amino acids exhibiting two conformations, L-histidine and D-histidine. D-Histidine is biologically inert, while L-histidine is bioactive because of its conversion to neurotransmitter or neuromodulator histamine in both brain as well as central nervous system. The deficiency of L-histidine causes serious diseases like Parkinson’s disease, epilepsy and the failure of normal erythropoiesis development. Gold nanocomposites are attractive materials due to their excellent biocompatibility and are easy to adsorb on the electrode surface. In the present investigation, hydrophobic fullerene-C60 was functionalized with homocysteine via nucleophilic addition reaction to make it hydrophilic and to successively make the nanocomposite with in-situ prepared gold nanoparticles with ascorbic acid as reducing agent. The electronic structure calculations of the AuNPs@Hcys-C60 nanocomposite showed a drastic reduction of HOMO-LUMO gap compared to the corresponding molecules of interest, indicating enhanced electron transportability to the electrode surface. In addition, the electrostatic potential map of the nanocomposite showed the charge was distributed over either end of the nanocomposite, evidencing faster direct electron transfer from nanocomposite to the electrode surface. This nanocomposite showed catalytic activity; the nanocomposite modified glassy carbon electrode showed a tenfold higher kₑt, the electron transfer rate constant than the bare glassy carbon electrode. Significant improvement in its sensing behavior by square wave voltammetry was noted.

Keywords: fullerene-C60, gold nanocomposites, L-Histidine, square wave voltammetry

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1002 The Collective Memory, Node Reconstruction and Local Belongingness in the Settlement of Outlying Islands: By Taking the Important Architectural Complex of Wang-an Hua-Zhai Settlement as an Example

Authors: Shu-Yen Wang, Shyh-Huei Hwang

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Designated as an important architectural complex of settlement by the Ministry of Culture, Hua-Zhai Settlement located in Wang-An Township, Peng-Hu County, of Taiwan has been progressively restored year by year and is now at the revitalization and reutilization stage. Over the last 5 years, YunTech has participated in the restoration project while being in compliance with the Bureau of Cultural Heritage’s spirit of 'Living Heritage Conservation'. In this study, reflections have been made to evaluate the contemporariness of traditional settlement development from the aspects of revitalization and reutilization. On the one hand, the connection between settlers’ experiences and emotions have been clarified through the living nodes, collective memory, and social-cultural connotation. On the other hand, activity design has promoted the reconstruction of living nodes and facilitated the reconnection of collective memory, enabling us to explore the contemporariness of living nodes after the reconstruction. With the adoption of literature review, participant observation, and interview analysis methods, this study concludes the following results: 1) The node reconstruction brings back the memories and makes emotional connections: the spatial collective memory is composed of different components. During the reconstruction of node space, villagers participated not only in the narration of the history but also in the restoration of the space. This process enables villagers to bring back their memories and make emotional connections thereto. 2) Villagers’ understanding towards revitalization has been facilitated through node reconstruction: as a medium of this project, activity design has facilitated node reconstruction by offering villagers a natural environment to build up emotional connections to the settlement. This also enables us to better understand the meaning of settlement activation for the local community. 3) New connections are established in life between villagers and the university through the construction of living nodes: through the local implementation of node reconstruction, new connections have been established in life between villagers who participated in the project and the university. In the meantime, the university’s entrance to the community has also been revalued.

Keywords: collective memory, local sense of belonging, reconstruction of living nodes, the important architectural complex of Wang-An Hua-Zhai settlement

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1001 Effect of Pioglitazone on Intracellular Na+ Homeostasis in Metabolic Syndrome-Induced Cardiomyopathy in Male Rats

Authors: Ayca Bilginoglu, Belma Turan

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Metabolic syndrome, is associated impaired blood glucose level, insulin resistance, dyslipidemia caused by abdominal obesity. Also, it is related with cardiovascular risk accumulation and cardiomyopathy. The hypothesis of this study was to examine the effect of thiazolidinediones such as pioglitazone which is widely used insulin-sensitizing agents that improve glycemic control, on intracellular Na+ homeostasis in metabolic syndrome-induced cardiomyopathy in male rats. Male Wistar-Albino rats were randomly divided into three groups, namely control (Con, n=7), metabolic syndrome (MetS, n=7) and pioglitazone treated metabolic syndrome group (MetS+PGZ, n=7). Metabolic syndrome was induced by providing drinking water that was 32% sucrose, for 18 weeks. All of the animals were exposed to a 12 h light – 12 h dark cycle. Abdominal obesity and glucose intolerance had measured as a marker of metabolic syndrome. Intracellular Na+ ([Na+]i) is an important modulator of excitation–contraction coupling in heart. [Na+]i at rest and [Na+]i during pacing with electrical field stimulation in 0.2 Hz, 0.8 Hz, 2.0 Hz stimulation frequency were recorded in cardiomyocytes. Also, Na+ channel current (INa) density and I-V curve were measured to understand [Na+]i homeostasis. In results, high sucrose intake, as well as the normal daily diet, significantly increased body mass and blood glucose level of the rats in the metabolic syndrome group as compared with the non-treated control group. In MetS+PZG group, the blood glucose level and body inclined to decrease to the Con group. There was a decrease in INa density and there was a shift both activation and inactivation curve of INa. Pioglitazone reversed the shift to the control side. Basal [Na+]i either MetS and Con group were not significantly different, but there was a significantly increase in [Na+]i in stimulated cardiomyocytes in MetS group. Furthermore, pioglitazone had not effect on basal [Na+]i but it reversed the increase in [Na+]i in stimulated cardiomyocytes to the that of Con group. Results of the present study suggest that pioglitazone has a significant effect on the Na+ homeostasis in the metabolic syndrome induced cardiomyopathy in rats. All animal procedures and experiments were approved by the Animal Ethics Committee of Ankara University Faculty of Medicine (2015-2-37).

Keywords: insulin resistance, intracellular sodium, metabolic syndrome, sodium current

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1000 A Factor-Analytical Approach on Identities in Environmentally Significant Behavior

Authors: Alina M. Udall, Judith de Groot, Simon de Jong, Avi Shankar

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There are many ways in which environmentally significant behavior can be explained. Dominant psychological theories, namely, the theory of planned behavior, the norm-activation theory, its extension, the value-belief-norm theory, and the theory of habit do not explain large parts of environmentally significant behaviors. A new and rapidly growing approach is to focus on how consumer’s identities predict environmentally significant behavior. Identity may be relevant because consumers have many identities that are assumed to guide their behavior. Therefore, we assume that many identities will guide environmentally significant behavior. Many identities can be relevant for environmentally significant behavior. In reviewing the literature, over 200 identities have been studied making it difficult to establish the key identities for explaining environmentally significant behavior. Therefore, this paper first aims to establish the key identities previously used for explaining environmentally significant behavior. Second, the aim is to test which key identities explain environmentally significant behavior. To address the aims, an online survey study (n = 578) is conducted. First, the exploratory factor analysis reveals 15 identity factors. The identity factors are namely, environmentally concerned identity, anti-environmental self-identity, environmental place identity, connectedness with nature identity, green space visitor identity, active ethical identity, carbon off-setter identity, thoughtful self-identity, close community identity, anti-carbon off-setter identity, environmental group member identity, national identity, identification with developed countries, cyclist identity, and thoughtful organisation identity. Furthermore, to help researchers understand and operationalize the identities, the article provides theoretical definitions for each of the identities, in line with identity theory, social identity theory, and place identity theory. Second, the hierarchical regression shows only 10 factors significantly uniquely explain the variance in environmentally significant behavior. In order of predictive power the identities are namely, environmentally concerned identity, anti-environmental self-identity, thoughtful self-identity, environmental group member identity, anti-carbon off-setter identity, carbon off-setter identity, connectedness with nature identity, national identity, and green space visitor identity. The identities explain over 60% of the variance in environmentally significant behavior, a large effect size. Based on this finding, the article reveals a new, theoretical framework showing the key identities explaining environmentally significant behavior, to help improve and align the field.

Keywords: environmentally significant behavior, factor analysis, place identity, social identity

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999 Effects of the Fractional Order on Nanoparticles in Blood Flow through the Stenosed Artery

Authors: Mohammed Abdulhameed, Sagir M. Abdullahi

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In this paper, based on the applications of nanoparticle, the blood flow along with nanoparticles through stenosed artery is studied. The blood is acted by periodic body acceleration, an oscillating pressure gradient and an external magnetic field. The mathematical formulation is based on Caputo-Fabrizio fractional derivative without singular kernel. The model of ordinary blood, corresponding to time-derivatives of integer order, is obtained as a limiting case. Analytical solutions of the blood velocity and temperature distribution are obtained by means of the Hankel and Laplace transforms. Effects of the order of Caputo-Fabrizio time-fractional derivatives and three different nanoparticles i.e. Fe3O4, TiO4 and Cu are studied. The results highlights that, models with fractional derivatives bring significant differences compared to the ordinary model. It is observed that the addition of Fe3O4 nanoparticle reduced the resistance impedance of the blood flow and temperature distribution through bell shape stenosed arteries as compared to TiO4 and Cu nanoparticles. On entering in the stenosed area, blood temperature increases slightly, but, increases considerably and reaches its maximum value in the stenosis throat. The shears stress has variation from a constant in the area without stenosis and higher in the layers located far to the longitudinal axis of the artery. This fact can be an important for some clinical applications in therapeutic procedures.

Keywords: nanoparticles, blood flow, stenosed artery, mathematical models

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998 Frontal Oscillatory Activity and Phase–Amplitude Coupling during Chan Meditation

Authors: Arthur C. Tsai, Chii-Shyang Kuo, Vincent S. C. Chien, Michelle Liou, Philip E. Cheng

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Meditation enhances mental abilities and it is an antidote to anxiety. However, very little is known about brain mechanisms and cortico-subcortical interactions underlying meditation-induced anxiety relief. In this study, the changes of phase-amplitude coupling (PAC) in which the amplitude of the beta frequency band were modulated in phase with delta rhythm were investigated after eight-week of meditation training. The study hypothesized that through a concentrate but relaxed mental training the delta-beta coupling in the frontal regions is attenuated. The delta-beta coupling analysis was applied to within and between maximally-independent component sources returned from the extended infomax independent components analysis (ICA) algorithm on the continuous EEG data during mediation. A unique meditative concentration task through relaxing body and mind was used with a constant level of moderate mental effort, so as to approach an ‘emptiness’ meditative state. A pre-test/post-test control group design was used in this study. To evaluate cross-frequency phase-amplitude coupling of component sources, the modulation index (MI) with statistics to calculate circular phase statistics were estimated. Our findings reveal that a significant delta-beta decoupling was observed in a set of frontal regions bilaterally. In addition, beta frequency band of prefrontal component were amplitude modulated in phase with the delta rhythm of medial frontal component.

Keywords: phase-amplitude coupling, ICA, meditation, EEG

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997 Climate Change Adaptation in Agriculture: A General Equilibrium Analysis of Land Re-Allocation in Nepal

Authors: Sudarshan Chalise, Athula Naranpanawa

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This paper attempts to investigate the viability of cropland re-allocation as an adaptation strategy to minimise the economy-wide costs of climate change on agriculture. Nepal makes an interesting case study as it is one of the most vulnerable agricultural economies within South Asia. This paper develops a comparative static multi-household Computable General Equilibrium (CGE) model for Nepal with a nested set of Constant Elasticity of Transformation (CET) functional forms to model the allocation of land within different agricultural sectors. Land transformation elasticities in these CET functions are allowed to reflect the ease of switching from one crop to another based on their agronomic characteristics. The results suggest that, in the long run, farmers in Nepal tend to allocate land to crops that are comparatively less impacted by climate change, such as paddy, thereby minimizing the economy-wide impacts of climate change. Furthermore, the results reveal that land re-allocation tends to reduce the income disparity among different household groups by significantly moderating the income losses of rural marginal farmers. Therefore, it is suggested that policy makers in Nepal should prioritise schemes such as providing climate-smart paddy varieties (i.e., those that are resistant to heat, drought and floods) to farmers, subsidising fertilizers, improving agronomic practices, and educating farmers to switch from crops that are highly impacted by climate change to those that are not, such as paddy.

Keywords: climate change, general equilibrium, land re-allocation, nepalese agriculture

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996 Microwave Dielectric Properties and Microstructures of Nd(Ti₀.₅W₀.₅)O₄ Ceramics for Application in Wireless Gas Sensors

Authors: Yih-Chien Chen, Yue-Xuan Du, Min-Zhe Weng

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Carbon monoxide is a substance produced by the incomplete combustion. It is toxic even at concentrations of less than 100ppm. Since it is colorless and odorless, it is difficult to detect. CO sensors have been developed using a variety of physical mechanisms, including semiconductor oxides, solid electrolytes, and organic semiconductors. Many works have focused on using semiconducting sensors composed of sensitive layers such as ZnO, TiO₂, and NiO with high sensitivity for gases. However, these sensors working at high temperatures increased their power consumption. On the other hand, the dielectric resonator (DR) is attractive for gas detection due to its large surface area and sensitivity for external environments. Materials that are to be employed in sensing devices must have a high-quality factor. Numerous researches into the fergusonite-type structure and related ceramic systems have explored. Extensive research into RENbO₄ ceramics has explored their potential application in resonators, filters, and antennas in modern communication systems, which are operated at microwave frequencies. Nd(Ti₀.₅W₀.₅)O₄ ceramics were synthesized herein using the conventional mixed-oxide method. The Nd(Ti₀.₅W₀.₅)O₄ ceramics were prepared using the conventional solid-state method. Dielectric constants (εᵣ) of 15.4-19.4 and quality factor (Q×f) of 3,600-11,100 GHz were obtained at sintering temperatures in the range 1425-1525°C for 4 h. The dielectric properties of the Nd(Ti₀.₅W₀.₅)O₄ ceramics at microwave frequencies were found to vary with the sintering temperature. For a further understanding of these microwave dielectric properties, they were analyzed by densification, X-ray diffraction (XRD), and by making microstructural observations.

Keywords: dielectric constant, dielectric resonators, sensors, quality factor

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995 PM10 Chemical Characteristics in a Background Site at the Universidad Libre Bogotá

Authors: Laura X. Martinez, Andrés F. Rodríguez, Ruth A. Catacoli

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One of the most important factors for air pollution is that the concentrations of PM10 maintain a constant trend, with the exception of some places where that frequently surpasses the allowed ranges established by Colombian legislation. The community that surrounds the Universidad Libre Bogotá is inhabited by a considerable number of students and workers, all of whom are possibly being exposed to PM10 for long periods of time while on campus. Thus, the chemical characterization of PM10 found in the ambient air at the Universidad Libre Bogotá was identified as a problem. A Hi-Vol sampler and EPA Test Method 5 were used to determine if the quality of air is adequate for the human respiratory system. Additionally, quartz fiber filters were utilized during sampling. Samples were taken three days a week during a dry period throughout the months of November and December 2015. The gravimetric analysis method was used to determine PM10 concentrations. The chemical characterization includes non-conventional carcinogenic pollutants. Atomic absorption spectrophotometry (AAS) was used for the determination of metals and VOCs were analyzed using the FTIR (Fourier transform infrared spectroscopy) method. In this way, concentrations of PM10, ranging from values of 13 µg/m3 to 66 µg/m3, were obtained; these values were below standard conditions. This evidence concludes that the PM10 concentrations during an exposure period of 24 hours are lower than the values established by Colombian law, Resolution 610 of 2010; however, when comparing these with the limits set by the World Health Organization (WHO), these concentrations could possibly exceed permissible levels.

Keywords: air quality, atomic absorption spectrophotometry, gas chromatography, particulate matter

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994 Influence of Smoking on Fine And Ultrafine Air Pollution Pm in Their Pulmonary Genetic and Epigenetic Toxicity

Authors: Y. Landkocz, C. Lepers, P.J. Martin, B. Fougère, F. Roy Saint-Georges. A. Verdin, F. Cazier, F. Ledoux, D. Courcot, F. Sichel, P. Gosset, P. Shirali, S. Billet

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In 2013, the International Agency for Research on Cancer (IARC) classified air pollution and fine particles as carcinogenic to humans. Causal relationships exist between elevated ambient levels of airborne particles and increase of mortality and morbidity including pulmonary diseases, like lung cancer. However, due to a double complexity of both physicochemical Particulate Matter (PM) properties and tumor mechanistic processes, mechanisms of action remain not fully elucidated. Furthermore, because of several common properties between air pollution PM and tobacco smoke, like the same route of exposure and chemical composition, potential mechanisms of synergy could exist. Therefore, smoking could be an aggravating factor of the particles toxicity. In order to identify some mechanisms of action of particles according to their size, two samples of PM were collected: PM0.03 2.5 and PM0.33 2.5 in the urban-industrial area of Dunkerque. The overall cytotoxicity of the fine particles was determined on human bronchial cells (BEAS-2B). Toxicological study focused then on the metabolic activation of the organic compounds coated onto PM and some genetic and epigenetic changes induced on a co-culture model of BEAS-2B and alveolar macrophages isolated from bronchoalveolar lavages performed in smokers and non-smokers. The results showed (i) the contribution of the ultrafine fraction of atmospheric particles to genotoxic (eg. DNA double-strand breaks) and epigenetic mechanisms (eg. promoter methylation) involved in tumor processes, and (ii) the influence of smoking on the cellular response. Three main conclusions can be discussed. First, our results showed the ability of the particles to induce deleterious effects potentially involved in the stages of initiation and promotion of carcinogenesis. The second conclusion is that smoking affects the nature of the induced genotoxic effects. Finally, the in vitro developed cell model, using bronchial epithelial cells and alveolar macrophages can take into account quite realistically, some of the existing cell interactions existing in the lung.

Keywords: air pollution, fine and ultrafine particles, genotoxic and epigenetic alterations, smoking

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993 Influence of Gender Inequality on Pre – Primary School Children’s Literacy Skills Development in Ojo Local Government Area, Lagos State

Authors: Morenikeji Aliu Balaji

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Gender inequality is seen as persistent discrimination of one group of people based gender, and it manifests itself differently according to race, culture, politics, country and economic situation. Multiple explanations have been offered for gender differences in literacy skill development. Three prominent explanations that precipitated the gender differences are; biological, where the assumption is that differential brain structures and hemispheric activation patterns cause the sexes to be hardwired differently for reading, with girls developing the cognitive skills associated with reading before boys. Secondly, schooling favour girls and ‘girly’ behaviour, and that boys are, as a result, lagging behind on several behavioural, social and academic measures and thirdly, cultural influences, where literacy is defined as a feminine characteristic – propagated by an overrepresentation of female teachers – and that modern culture steers boys towards activities such as sport and computers. Therefore the study investigated the influence of gender inequality on pre – primary school children literacy skills development in Ojo Local Government Area, Lagos State. Descriptive survey research design was adopted for the study. 100 pre-primary school teachers were involved in the study. A self-designed instrument was used for data collection titled ‘Influence of Gender Inequality on Literacy Skill Development in Children Questionnaire (IGILSDCQ)’. The instrument was validated and tested for reliability. The reliability index for IGILSDCQ (α = 0.79). Five research questions were answered using descriptive (frequency count, simple percentage, mean and standard deviation). The findings showed that that gender inequality to some extent influence children phonemic awareness (WA=1.76), the extent to which gender inequality influence children awareness of print is high (WA=2.8), gender inequality to some extent influence children vocabulary development (WA = 2.4), the extent to which gender inequality influence children speaking skill development is high (WA = 2.5) and lastly, the extent to which gender inequality influence children comprehension ability is high (WA = 2.5). It was recommended among others that effort by the school administrators is necessary in the provision of reading materials and literacy skill development packages that are both male-oriented and female-oriented.

Keywords: pre-primart, literacy, awareness, phonemic, gender

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992 The Effect of Adding Microsilica on the Rheological Behavior and Injectability of the Paste in the Injection Molding of Silica-Based Ceramic Cores

Authors: Arghavan Kazemi, Hossein Radipour

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Microsilica (silica foam) is a byproduct of ferrosilicon production and silicon metal. Microsilica particles have a spherical shape, an average diameter of 0.15 µm, and a specific surface area of 15-25 m². g-¹. The overall density of this material is 150-700 kg.m-³. Many researchers have investigated the effect of adding microsilica on the flow properties of cement mixtures. This paper investigated the effect of adding microsilica on the flow behavior and injectability of silica-based paste. For this purpose, different percentages of microsilica have been used to prepare the paste. The rheometric test was performed on all the samples with different percentages of microsilica additives using an MCR300 rotary viscometer at a temperature of 70°C. In addition, the ability to inject pastes containing different amounts of microsilica at pressures of 25, 40, 50, and (bar) 60 at constant temperature and flow in a mold with dimensions of 80 × 80 × 0.5 mm³ has been investigated. Then, the effect of microsilica addition on the strength, porosity percentage, and leachability of the sintered core was studied. The results show that the rheological behavior of the paste is pseudoplastic; also, the silane index decreases with the increase in the percentage of microsilica addition, and the viscosity increases. On the other hand, the addition of microsilica has led to the appearance of thixotropic in the paste. By increasing the amount of microsilica, the injectability has significantly improved at low pressures. The strength of the sintered core increases with the increase of microsilica and the amount of remaining porosity and leachability decreases.

Keywords: microsilica, rheological behavior, injectability, injection molding, silica-based ceramic cores, leachability

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991 Effect of Permeability Reducing Admixture Utilization on Sulfate Resistance of Self-Consolidating Concrete Mixture

Authors: Ali Mardani-Aghabaglou, Zia Ahmad Faqiri, Semsi Yazici

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In this study, the effect of permeability reducing admixture (PRA) utilization on fresh properties, compressive strength and sulfate resistance of self-consolidating concrete (SSC) were investigated. For this aim, two different commercial PRA were used at two utilization ratios as %0.1 and %0.2 wt. CEM I 42.5 R type cement and crushed limestone aggregate having Dmax of 15 mm were used for preparing of SCC mixtures. In all mixtures, cement content, water/cement ratio, and flow value were kept constant as 450 kg, 0.40 and 65 ± 2 cm, respectively. In order to obtain desired flow value, a polycarboxylate ether-based high range water reducing admixture was used at different content. T50 flow time, flow value, L-box, and U-funnel of SCC mixture were measured as fresh properties. 1, 3, 7 and 28-day compressive strength of SCC mixture were obtained on 150 mm cubic specimens. To investigate the sulfate resistance of SCC mixture 75x75x285 mm prismatic specimens were produced. After 28-day water curing, specimens were immersed in %5 sodium sulfate solution during 210 days. The length change of specimens was measured at 5-day time intervals up to 210 days. According to the test results, all fresh properties of SCC mixtures were in accordance with the European federation of specialist construction chemicals and concrete systems (EFNARC) critter for SCC mixtures. The utilization of PRA had no significant effect on compressive strength and fresh properties of SCC mixtures. Regardless of PRA type, sulfate resistance of SCC mixture increased by adding of PRA into the SCC mixtures. The length changes of the SCC mixtures containing %1 and %2 PRA were measured as %8 and %14 less than that of control mixture containing no PRA, respectively.

Keywords: permeability reducing admixture, self-consolidating concrete, fresh properties, sulfate resistance

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990 Managing High-Performance Virtual Teams

Authors: Mehdi Rezai, Asghar Zamani

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Virtual teams are a reality in today’s fast-paced world. With the possibility of commonly using common resources, an increase of inter-organizational projects, cooperation, outsourcing, and the increase in the number of people who work remotely or flexitime, an extensive and active presence of high-performance teams is a must. Virtual teams are a challenge by themselves. Their members remove the barriers of cultures, time regions and organizations, and they often communicate through electronic devices over considerable distances. Firstly, we examine the management of virtual teams by considering different issues such as cultural and personal diversities, communications and arrangement issues. Then we will examine individuals, processes and the existing tools in a team. The main challenge is managing high-performance virtual teams. First of all, we must examine the concept of performance. Then, we must focus on teams and the best methods of managing them. Constant improvement of performance, together with precisely regulating every individual’s method of working, increases the levels of performance in the course of time. High-performance teams exploit every issue as an opportunity for achieving high performance. And we know that doing projects with high performance is among every organization or team’s objectives. Performance could be measured using many criteria, among which carrying out projects in time, the satisfaction of stakeholders, and not exceeding budgets could be named. Elements such as clear objectives, clearly-defined roles and responsibilities, effective communications, and commitment to collaboration are essential to a team’s effectiveness. Finally, we will examine roles, systems, processes and will carry out a cause-and-effect analysis of different criteria in improving a team’s performance.

Keywords: virtual teams, performance, management, process, improvement, effectiveness

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989 Advancements in Dielectric Materials: A Comprehensive Study on Properties, Synthesis, and Applications

Authors: M. Mesrar, T. Lamcharfi, Nor-S. Echatoui, F. Abdi

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The solid-state reaction method was used to synthesize ferroelectric systems with lead-free properties, specifically (1-x-y)(Na₀.₅Bi₀.₅)TiO₃-xBaTiO₃-y(K₀.₅ Bi₀.₅)TiO₃. To achieve a pure perovskite phase, the optimal calcination temperature was determined to be 1000°C for 4 hours. X-ray diffraction (XRD) analysis identified the presence of the morphotropic phase boundary (MPB) in the (1-x-y)NBT xBT-yKBT ceramics for specific molar compositions, namely (0.95NBT-0.05BT, 0.84NBT-0.16KBT, and 0.79NBT-0.05BT-0.16KBT). To enhance densification, the sintering temperature was set at 1100°C for 4 hours. Scanning electron microscopy (SEM) images exhibited homogeneous distribution and dense packing of the grains in the ceramics, indicating a uniform microstructure. These materials exhibited favorable characteristics, including high dielectric permittivity, low dielectric loss, and diffused phase transition behavior. The ceramics composed of 0.79NBT-0.05BT-0.16KBT exhibited the highest piezoelectric constant (d33=148 pC/N) and electromechanical coupling factor (kp = 0.292) among all compositions studied. This enhancement in piezoelectric properties can be attributed to the presence of the morphotropic phase boundary (MPB) in the material. This study presents a comprehensive approach to improving the performance of lead-free ferroelectric systems of composition 0.79(Na₀.₅Bi₀.₅)Ti O₃-0.05BaTiO₃-0.16(K₀.₅Bi₀.₅)TiO₃.

Keywords: solid-state method, (1-x-y)NBT-xBT-yKBT, morphotropic phase boundary, Raman spectroscopy, dielectric properties

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988 Electrical and Thermal Characteristics of a Photovoltaic Solar Wall with Passive and Active Ventilation through a Room

Authors: Himanshu Dehra

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An experimental study was conducted for ascertaining electrical and thermal characteristics of a pair of photovoltaic (PV) modules integrated with solar wall of an outdoor room. A pre-fabricated outdoor room was setup for conducting outdoor experiments on a PV solar wall with passive and active ventilation through the outdoor room. The selective operating conditions for glass coated PV modules were utilized for establishing their electrical and thermal characteristics. The PV solar wall was made up of glass coated PV modules, a ventilated air column, and an insulating layer of polystyrene filled plywood board. The measurements collected were currents, voltages, electric power, air velocities, temperatures, solar intensities, and thermal time constant. The results have demonstrated that: i) a PV solar wall installed on a wooden frame was of more heat generating capacity in comparison to a window glass or a standalone PV module; ii) generation of electric power was affected with operation of vertical PV solar wall; iii) electrical and thermal characteristics were not significantly affected by heat and thermal storage losses; and iv) combined heat and electricity generation were function of volume of thermal and electrical resistances developed across PV solar wall. Finally, a comparison of temperature plots of passive and active ventilation envisaged that fan pressure was necessary to avoid overheating of the PV solar wall. The active ventilation was necessary to avoid over-heating of the PV solar wall and to maintain adequate ventilation of room under mild climate conditions.

Keywords: photovoltaic solar wall, solar energy, passive ventilation, active ventilation

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987 The Effect of Varying Cone Beam Computed Tomography Image Resolution and Field-of-View Centralization on the Effective Radiation Dose

Authors: Fatima M. Jadu, Asmaa A. Alzahrani, Maha A. Almutairi, Salma O. Al-Amoudi, Mawya A. Khafaji

Abstract:

Introduction: Estimating the potential radiation risk for a widely used imaging technique such as cone beam CT (CBCT) is crucial. The aim of this study was to examine the effect of varying two CBCT technical factors, the voxel size (VOX) and the Field-of-View (FOV) centralization, on the radiation dose. Methodology: The head and neck slices of a RANDO® man phantom (Alderson Research Laboratories) were used with nanoDot™ OSLD dosimeters to measure the absorbed radiation dose at 25 predetermined sites. Imaging was done using the i-CAT® (Imaging Science International, Hatfield, PA, USA) CBCT unit. The VOX was changed for every three cycles of exposures from 0.2mm to 0.3mm and then 0.4mm. Then the FOV was centered on the maxilla and mandible alternatively while holding all other factors constant. Finally, the effective radiation dose was calculated for each view and voxel setting. Results: The effective radiation dose was greatest when the smallest VOX was chosen. When the FOV was centered on the maxilla, the highest radiation doses were recorded in the eyes and parotid glands. While on the mandible, the highest radiation doses were recorded in the sublingual and submandibular glands. Conclusion: Minor variations in the CBCT exposure factors significantly affect the effective radiation dose and thus the radiation risk to the patient. Therefore, extreme care must be taken when choosing these parameters especially for vulnerable patients such as children.

Keywords: CBCT, cone beam CT, effective dose, field of view, mandible, maxilla, resolution, voxel

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986 Being a Lay Partner in Jesuit Higher Education in the Philippines: A Grounded Theory Application

Authors: Janet B. Badong-Badilla

Abstract:

In Jesuit universities, laypersons, who come from the same or different faith backgrounds or traditions, are considered as collaborators in mission. The Jesuits themselves support the contributions of the lay partners in realizing the mission of the Society of Jesus and recognize the important role that they play in education. This study aims to investigate and generate particular notions and understandings of lived experiences of being a lay partner in Jesuit universities in the Philippines, particularly those involved in higher education. Using the qualitative approach as introduced by grounded theorist Barney Glaser, the lay partners’ concept of being a partner, as lived in higher education, is generated systematically from the data collected in the field primarily through in-depth interviews, field notes and observations. Glaser’s constant comparative method of analysis of data is used going through the phases of open coding, theoretical coding, and selective coding from memoing to theoretical sampling to sorting and then writing. In this study, Glaser’s grounded theory as a methodology will provide a substantial insight into and articulation of the layperson’s actual experience of being a partner of the Jesuits in education. Such articulation provides a phenomenological approach or framework to an understanding of the meaning and core characteristics of Jesuit-Lay partnership in Jesuit educational institution of higher learning in the country. This study is expected to provide a framework or model for lay partnership in academic institutions that have the same practice of having lay partners in mission.

Keywords: grounded theory, Jesuit mission in higher education, lay partner, lived experience

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985 On the Principles of Self-determination, Remedial Secession, and Responsibility to Protect: The Case of Nagorno Karabakh

Authors: Sara Melkonyan

Abstract:

Over the past decades, the political (and partly legal) doctrine of remedial secession has emerged on the basis of the development of internationally recognized human rights and rights of peoples stemming from various multilateral treaties, which stipulates that aggrieved and persecuted nations have the right to secede from the parent state as a remedy for their continuous and unstoppable grievances. The 44-day war in Nagorno-Karabakh and the following events posed severe challenges for Nagorno-Karabakh and its people. Constant aggression and threat, the humanitarian crisis caused by the closure of the Lachin Corridor, the persistent threat of ethnic cleansing of Artsakhi Armenians, and the state policy that has been executed towards Artsakhi people by the Azerbaijani authorities come to prove that the Artsakhi people cannot survive under Azerbaijani control and secession may be the last resort for ending oppression. The paper tries to make parallels with similar cases and discuss the doctrine of remedial secession applied selectively among different cases. This paper aims to figure out why in some cases the secessionist movements succeeded to gain independence based on the doctrine of remedial secession, in other cases, they refused to gain recognition from the international community. Through analyzing the domestic-level and then international-level factors, the study concluded that the doctrine of remedial secession is inherently in the political realm and almost impossible to draw substantial “recipes” for warranting secession, and the latter is not applied similarly among the cases, so its success mainly depends on the geopolitical interests of the great powers involved.

Keywords: R2P, remedial secession, self-determination, conflicts

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984 Therapeutic Effects of Toll Like Receptor 9 Ligand CpG-ODN on Radiation Injury

Authors: Jianming Cai

Abstract:

Exposure to ionizing radiation causes severe damage to human body and an safe and effective radioprotector is urgently required for alleviating radiation damage. In 2008, flagellin, an agonist of TLR5, was found to exert radioprotective effects on radiation injury through activating NF-kB signaling pathway. From then, the radioprotective effects of TLR ligands has shed new lights on radiation protection. CpG-ODN is an unmethylated oligonucleotide which activates TLR9 signaling pathway. In this study, we demonstrated that CpG-ODN has therapeutic effects on radiation injuries induced by γ ray and 12C6+ heavy ion particles. Our data showed that CpG-ODN increased the survival rate of mice after whole body irradiation and increased the number of leukocytes as well as the bone marrow cells. CpG-ODN also alleviated radiation damage on intestinal crypt through regulating apoptosis signaling pathway including bcl2, bax, and caspase 3 etc. By using a radiation-induced pulmonary fibrosis model, we found that CpG-ODN could alleviate structural damage, within 20 week after whole–thorax 15Gy irradiation. In this model, Th1/Th2 imbalance induced by irradiation was also reversed by CpG-ODN. We also found that TGFβ-Smad signaling pathway was regulated by CpG-ODN, which accounts for the therapeutic effects of CpG-ODN in radiation-induced pulmonary injury. On another hand, for high LET radiation protection, we investigated protective effects of CpG-ODN against 12C6+ heavy ion irradiation and found that after CpG-ODN treatment, the apoptosis and cell cycle arrest induced by 12C6+ irradiation was reduced. CpG-ODN also reduced the expression of Bax and caspase 3, while increased the level of bcl2. Then we detected the effect of CpG-ODN on heavy ion induced immune dysfunction. Our data showed that CpG-ODN increased the survival rate of mice and also the leukocytes after 12C6+ irradiation. Besides, the structural damage of immune organ such as thymus and spleen was also alleviated by CpG-ODN treatment. In conclusion, we found that TLR9 ligand, CpG-ODN reduced radiation injuries in response to γ ray and 12C6+ heavy ion irradiation. On one hand, CpG-ODN inhibited the activation of apoptosis induced by radiation through regulating bcl2, bax and caspase 3. On another hand, through activating TLR9, CpG-ODN recruit MyD88-IRAK-TRAF6 complex, activating TAK1, IRF5 and NF-kB pathway, and thus alleviates radiation damage. This study provides novel insights into protection and therapy of radiation damages.

Keywords: TLR9, CpG-ODN, radiation injury, high LET radiation

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983 Polyvinylidene Fluoride-Polyaniline Films for Improved Dielectric Properties

Authors: Anjana Jain, S. Jayanth Kumar

Abstract:

Polyvinylidene fluoride (PVDF) is a well-known material for remarkable mechanical properties, resistance to chemicals and superior ferroelectric performances. This endows PVDF the potential for application in supercapacitor devices. The dielectric properties of PVDF, however, are not very high. To improve the dielectric properties of Polyvinylidene fluoride (PVDF), Piezoelectric polymer nanocomposites are prepared without affecting the other useful properties of PVDF. Polyaniline (PANI) was chosen as a filler material to prepare the nanocomposites. PVDF-PANI nanocomposite films were prepared using solvent cast method with different volume fractions of PANI varying from 0.04% to 0.048% of PANI content. The films are characterized for structural, mechanical, and surface morphological properties using X-ray diffraction, differential scanning calorimeter, Raman spectra, Infrared spectra, tensile testing, and scanning electron microscopy. The X-ray diffraction analysis shows that, prepared films were in β-phase. The DSC scans indicated that the degree of crystallinity in PVDF-PANI is improved. Raman and Infrared spectrum further confirm the presence of β-phase of PVDF-PANI film. Tensile properties of PVDF-PANI films were in good agreement with those reported in literature. The surface feature shows that PANI is uniformly distributed in PVDF and also results in disappearance of spherulites. The influence of volume fraction of PANI in PVDF on dielectric properties was analyzed. The results showed that the dielectric permittivity of PVDF-PANI (120) was much higher than that of PVDF (12). The sensitivity of these films was studied on application of a pressure and a constant output voltage was obtained.

Keywords: dielectric Properties, PANI, PVDF, smart materials

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982 Synthesis and Preparation of Carbon Ferromagnetic Nanocontainers for Cancer Therapy

Authors: L. Szymanski, Z. Kolacinski, Z. Kamiński, G. Raniszewski, J. Fraczyk, L. Pietrzak

Abstract:

In the article the development and demonstration of method and the model device for hyperthermic selective destruction of cancer cells are presented. This method was based on the synthesis and functionalization of carbon nanotubes serving as ferromagnetic material nano containers. Methodology of the production carbon - ferromagnetic nanocontainers includes: the synthesis of carbon nanotubes, chemical and physical characterization, increasing the content of ferromagnetic material and biochemical functionalization involving the attachment of the key addresses. Biochemical functionalization of ferromagnetic nanocontainers is necessary in order to increase the binding selectively with receptors presented on the surface of tumour cells. Multi-step modification procedure was finally used to attach folic acid on the surface of ferromagnetic nanocontainers. Folic acid is ligand of folate receptors which is overexpresion in tumor cells. The presence of ligand should ensure the specificity of the interaction between ferromagnetic nanocontainers and tumor cells. The chemical functionalization contains several step: oxidation reaction, transformation of carboxyl groups into more reactive ester or amide groups, incorporation of spacer molecule (linker), attaching folic acid. Activation of carboxylic groups was prepared with triazine coupling reagent (preparation of superactive ester attached on the nanocontainers). The spacer molecules were designed and synthesized. In order to ensure biocompatibillity of linkers they were built from amino acids or peptides. Spacer molecules were synthesized using the SPPS method. Synthesis was performed on 2-Chlorotrityl resin. The linker important feature is its length. Due to that fact synthesis of peptide linkers containing from 2 to 4 -Ala- residues was carried out. Independent synthesis of the conjugate of foilic acid with 6-aminocaproic acid was made. Final step of synthesis was connecting conjugat with spacer molecules and attaching it on the ferromagnetic nanocontainer surface. This article contains also information about special CVD and microvave plasma system to produce nanotubes and ferromagnetic nanocontainers. The first tests in the device for hyperthermal RF generator will be presented. The frequency of RF generator was in the ranges from 10 to 14Mhz and from 265 to 621kHz.

Keywords: synthesis of carbon nanotubes, hyperthermia, ligands, carbon nanotubes

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981 Voice Liveness Detection Using Kolmogorov Arnold Networks

Authors: Arth J. Shah, Madhu R. Kamble

Abstract:

Voice biometric liveness detection is customized to certify an authentication process of the voice data presented is genuine and not a recording or synthetic voice. With the rise of deepfakes and other equivalently sophisticated spoofing generation techniques, it’s becoming challenging to ensure that the person on the other end is a live speaker or not. Voice Liveness Detection (VLD) system is a group of security measures which detect and prevent voice spoofing attacks. Motivated by the recent development of the Kolmogorov-Arnold Network (KAN) based on the Kolmogorov-Arnold theorem, we proposed KAN for the VLD task. To date, multilayer perceptron (MLP) based classifiers have been used for the classification tasks. We aim to capture not only the compositional structure of the model but also to optimize the values of univariate functions. This study explains the mathematical as well as experimental analysis of KAN for VLD tasks, thereby opening a new perspective for scientists to work on speech and signal processing-based tasks. This study emerges as a combination of traditional signal processing tasks and new deep learning models, which further proved to be a better combination for VLD tasks. The experiments are performed on the POCO and ASVSpoof 2017 V2 database. We used Constant Q-transform, Mel, and short-time Fourier transform (STFT) based front-end features and used CNN, BiLSTM, and KAN as back-end classifiers. The best accuracy is 91.26 % on the POCO database using STFT features with the KAN classifier. In the ASVSpoof 2017 V2 database, the lowest EER we obtained was 26.42 %, using CQT features and KAN as a classifier.

Keywords: Kolmogorov Arnold networks, multilayer perceptron, pop noise, voice liveness detection

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980 Comparative Study on the Effect of Compaction Energy and Moisture Content on the Strength Properties of Lateritic Soil

Authors: Ahmad Idris, O.A. Uche, Ado Y Abdulfatah

Abstract:

Lateritic soils are found in abundance and are the most common types of soils used in construction of roads and embankments in Nigeria. Strength properties of the soils depend on the amount of compaction applied and the amount of water available in the soil at the time of compaction. In this study, the influence of the compactive effort and that of the amount of water in the soil in the determination of the shear strength properties of lateritic soil was investigated. Lateritic soil sample was collected from an existing borrow pit in Kano, Nigeria and its basic characteristics were determined and the soil was classified according to AASHTO classification method. The soil was then compacted under various compactive efforts and at wide range of moisture contents. The maximum dry density (MDD) and optimum moisture content (OMC) at each compactive effort was determined. Unconfined undrained triaxial test was carried out to determine the shear strength properties of the soil under various conditions of moisture and energy. Preliminary results obtained indicated that the soil is an A-7-5 soil. The final results obtained shows that as the compaction energy is increased, both the cohesion and friction angle increased irrespective of the moisture content used in the compaction. However, when the amount of water in the soil was increased and compaction effort kept constant, only the cohesion of the soil increases while the friction angle shows no any pattern of variation. It was also found that the highest values for cohesion and friction angle were obtained when the soil was compacted at the highest energy and at OMC.

Keywords: laterite, OMC, compaction energy, moisture content

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979 Secret Agents in the Azores during the Second World War and the Impact of Espionage on Portuguese-British Relations

Authors: Marisa Galiza Filipe

Abstract:

In 1942, at the height of the Second World War, Roosevelt and Churchill planned to occupy the Azores to establish air and naval bases. The islands' privileged position in the middle of the Atlantic made them a strategic location for both the Axis and the Allies. For the Germans, the occupation of the island was also a strategic place to launch an attack on the United States of America, and for the British and Americans, the islands were the perfect spot to counterattack the German sinking of British boats and submarines. Salazar avoided the concession of the islands until 1943, claiming, on the one hand, the policy of neutrality, a decision made in agreement with England, and on the other hand, the reaffirmation of Portuguese sovereignty over the territory. Aware of the constant changes and supported by a network of informers on the islands, the German and British spies played a crucial role in the negotiations between Portugal and the Allies and the ceding of the bases by Salazar, which prevented their forced occupation. The espionage caused several diplomatic tensions, and the large number of German spies denounced by the British, operating on the islands under the watchful eye of the PVDE and Salazar, weakened the Portuguese-British alliance. Using primary source documents in the Ministério dos Negócios Estrangeiros (MNE) archives, this paper introduces the spies that operated on the islands, their missions and motives, organizations, and modus operandi. As a chess game, any move was careful thinking and the spies were valuable assets to control and use information that could lead to the occupation of the islands and, ultimately, change the tide of the war.

Keywords: espionage, Azores, WWI, neutrality

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978 Pioneering Technology of Night Photo-Stimulation of the Brain Lymphatic System: Therapy of Brain Diseases during Sleep

Authors: Semyachkina-Glushkovskaya Oxana, Fedosov Ivan, Blokhina Inna, Terskov Andrey, Evsukova Arina, Elovenko Daria, Adushkina Viktoria, Dubrovsky Alexander, Jürgen Kurths

Abstract:

In modern neurobiology, sleep is considered a novel biomarker and a promising therapeutic target for brain diseases. This is due to recent discoveries of the nighttime activation of the brain lymphatic system (BLS), playing an important role in the removal of wastes and toxins from the brain and contributes neuroprotection of the central nervous system (CNS). In our review, we discuss that night stimulation of BLS might be a breakthrough strategy in a new treatment of Alzheimer’s and Parkinson’s disease, stroke, brain trauma, and oncology. Although this research is in its infancy, however, there are pioneering and promising results suggesting that night transcranial photostimulation (tPBM) stimulates more effectively lymphatic removal of amyloid-beta from mouse brain than daily tPBM that is associated with a greater improvement of the neurological status and recognition memory of animals. In our previous study, we discovered that tPBM modulates the tone and permeability of the lymphatic endothelium by stimulating NO formation, promoting lymphatic clearance of wastes and toxins from the brain tissues. We also demonstrate that tPBM can also lead to angio- and lymphangiogenesis, which is another mechanism underlying tPBM-mediated stimulation of BLS. Thus, photo-augmentation of BLS might be a promising therapeutic target for preventing or delaying brain diseases associated with BLS dysfunction. Here we present pioneering technology for simultaneous tPBM in humans and sleep monitoring for stimulation of BLS to remove toxins from CNS and modulation of brain immunity. The wireless-controlled gadget includes a flexible organic light-emitting diode (LED) source that is controlled directly by a sleep-tracking device via a mobile application. The designed autonomous LED source is capable of providing the required therapeutic dose of light radiation at a certain region of the patient’s head without disturbing of sleeping patient. To minimize patients' discomfort, advanced materials like flexible organic LEDs were used. Acknowledgment: This study was supported by RSF project No. 23-75-30001.

Keywords: brain diseases, brain lymphatic system, phototherapy, sleep

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977 Experimental Investigation of Recycling Cementitious Materials in Low Strength Range for Sustainability and Affordability

Authors: Mulubrhan Berihu

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Due to the design versatility, availability, and cost efficiency, concrete continues to be the most used construction material on earth. However, the production of Portland cement, the primary component of concrete mix is causing to have a serious effect on environmental and economic impacts. This shows there is a need to study using of supplementary cementitious materials (SCMs). The most commonly used supplementary cementitious materials are wastes, and the use of these industrial waste products has technical, economic, and environmental benefits besides the reduction of CO2 emission from cement production. This paper aims to document the effect on the strength property of concrete due to the use of low cement by maximizing supplementary cementitious materials like fly ash. The amount of cement content was below 250 kg/m3, and in all the mixes, the quantity of powder (cement + fly ash) is almost kept at about 500 kg. According to this, seven different cement content (250 kg/m3, 195 kg/m3, 150 kg/m3, 125 kg/m3, 100 kg/m3, 85 kg/m3, 70 kg/m3) with different amount of replacement of SCMs was conducted. The mix proportion was prepared by keeping the water content constant and varying the cement content, SCMs, and water-to-binder ratio. Based on the different mix proportions of fly ash, a range of mix designs was formulated. The test results showed that using up to 85 kg/m3 of cement is possible for plain concrete works like hollow block concrete to achieve 9.8 Mpa, and the experimental results indicate that strength is a function of w/b. The experiment result shows a big difference in gaining of compressive strength from 7 days to 28 days and this obviously shows the slow rate of hydration of fly ash concrete. As the w/b ratio increases, the strength decreases significantly. At the same time, higher permeability was seen in the specimens which were tested for three hours than one hour.

Keywords: efficiency factor, cement content, compressive strength, mix proportion, w/c ratio, water permeability, SCMs

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976 Ionic Liquids as Substrates for Metal-Organic Framework Synthesis

Authors: Julian Mehler, Marcus Fischer, Martin Hartmann, Peter S. Schulz

Abstract:

During the last two decades, the synthesis of metal-organic frameworks (MOFs) has gained ever increasing attention. Based on their pore size and shape as well as host-guest interactions, they are of interest for numerous fields related to porous materials, like catalysis and gas separation. Usually, MOF-synthesis takes place in an organic solvent between room temperature and approximately 220 °C, with mixtures of polyfunctional organic linker molecules and metal precursors as substrates. Reaction temperatures above the boiling point of the solvent, i.e. solvothermal reactions, are run in autoclaves or sealed glass vessels under autogenous pressures. A relatively new approach for the synthesis of MOFs is the so-called ionothermal synthesis route. It applies an ionic liquid as a solvent, which can serve as a structure-directing template and/or a charge-compensating agent in the final coordination polymer structure. Furthermore, this method often allows for less harsh reaction conditions than the solvothermal route. Here a variation of the ionothermal approach is reported, where the ionic liquid also serves as an organic linker source. By using 1-ethyl-3-methylimidazolium terephthalates ([EMIM][Hbdc] and [EMIM]₂[bdc]), the one-step synthesis of MIL-53(Al)/Boehemite composites with interesting features is possible. The resulting material is already formed at moderate temperatures (90-130 °C) and is stabilized in the usually unfavored ht-phase. Additionally, in contrast to already published procedures for MIL-53(Al) synthesis, no further activation at high temperatures is mandatory. A full characterization of this novel composite material is provided, including XRD, SS-NMR, El-Al., SEM as well as sorption measurements and its interesting features are compared to MIL-53(Al) samples produced by the classical solvothermal route. Furthermore, the syntheses of the applied ionic liquids and salts is discussed. The influence of the degree of ionicity of the linker source [EMIM]x[H(2-x)bdc] on the crystal structure and the achievable synthesis temperature are investigated and give insight into the role of the IL during synthesis. Aside from the synthesis of MIL-53 from EMIM terephthalates, the use of the phosphonium cation in this approach is discussed as well. Additionally, the employment of ILs in the preparation of other MOFs is presented briefly. This includes the ZIF-4 framework from the respective imidazolate ILs and chiral camphorate based frameworks from their imidazolium precursors.

Keywords: ionic liquids, ionothermal synthesis, material synthesis, MIL-53, MOFs

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975 The Development of an Automated Computational Workflow to Prioritize Potential Resistance Variants in HIV Integrase Subtype C

Authors: Keaghan Brown

Abstract:

The prioritization of drug resistance mutations impacting protein folding or protein-drug and protein-DNA interactions within macromolecular systems is critical to the success of treatment regimens. With a continual increase in computational tools to assess these impacts, the need for scalability and reproducibility became an essential component of computational analysis and experimental research. Here it introduce a bioinformatics pipeline that combines several structural analysis tools in a simplified workflow, by optimizing the present computational hardware and software to automatically ease the flow of data transformations. Utilizing preestablished software tools, it was possible to develop a pipeline with a set of pre-defined functions that will automate mutation introduction into the HIV-1 Integrase protein structure, calculate the gain and loss of polar interactions and calculate the change in energy of protein fold. Additionally, an automated molecular dynamics analysis was implemented which reduces the constant need for user input and output management. The resulting pipeline, Automated Mutation Introduction and Analysis (AMIA) is an open source set of scripts designed to introduce and analyse the effects of mutations on the static protein structure as well as the results of the multi-conformational states from molecular dynamic simulations. The workflow allows the user to visualize all outputs in a user friendly manner thereby successfully enabling the prioritization of variant systems for experimental validation.

Keywords: automated workflow, variant prioritization, drug resistance, HIV Integrase

Procedia PDF Downloads 75