Search results for: functional graphene platelets

Authors: Anders Thorsén, Behrooz Sangchoolie, Peter Folkesson, Ted Strandberg

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As more parts of the power grid become connected to the internet, the risk of cyberattacks increases. To identify the cybersecurity threats and subsequently reduce vulnerabilities, the common practice is to carry out a cybersecurity risk assessment. For safety classified systems and products, there is also a need for safety risk assessments in addition to the cybersecurity risk assessment in order to identify and reduce safety risks. These two risk assessments are usually done separately, but since cybersecurity and functional safety are often related, a more comprehensive method covering both aspects is needed. Some work addressing this has been done for specific domains like the automotive domain, but more general methods suitable for, e.g., intelligent distributed grids, are still missing. One such method from the automotive domain is the Security-Aware Hazard Analysis and Risk Assessment (SAHARA) method that combines safety and cybersecurity risk assessments. This paper presents an approach where the SAHARA method has been modified in order to be more suitable for larger distributed systems. The adapted SAHARA method has a more general risk assessment approach than the original SAHARA. The proposed method has been successfully applied on two use cases of an intelligent distributed grid.

Keywords: intelligent distribution grids, threat analysis, risk assessment, safety, cybersecurity

Procedia PDF Downloads 134

Authors: Nirmala Deenadayalu, Kwanele B. Mazibuko, Lethiwe D. Mthembu

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Sugarcane bagasse is the residue obtained after the extraction of sugar from the sugarcane. The main aim of this work was to produce catechol from sugarcane bagasse. The optimization of catechol production was investigated using a Box-Behnken design of experiments. The sugarcane bagasse was heated in a Parr reactor at a set temperature. The reactions were carried out at different temperatures (100-250) °C, catalyst loading (1% -10% KOH (m/v)) and reaction times (60 – 240 min) at 17 bar pressure. The solid and liquid fractions were then separated by vacuum filtration. The liquid fraction was analyzed for catechol using high-pressure liquid chromatography (HPLC) and characterized for the functional groups using Fourier transform infrared spectroscopy (FTIR). The optimized condition for catechol production was 175 oC, 240 min, and 10 % KOH with a catechol yield of 79.11 ppm. Since the maximum time was 240 min and 10 % KOH, a further series of experiments were conducted at 175 oC, 260 min, and 20 % KOH and yielded 2.46 ppm catechol, which was a large reduction in catechol produced. The HPLC peak for catechol was obtained at 2.5 min for the standards and the samples. The FTIR peak at 1750 cm⁻¹ was due to the C=C vibration band of the aromatic ring in the catechol present for both the standard and the samples. The peak at 3325 cm⁻¹ was due to the hydrogen-bonded phenolic OH vibration bands for the catechol. The ANOVA analysis was also performed on the set of experimental data to obtain the factors that most affected the amount of catechol produced.

Keywords: catechol, sugarcane bagasse, lignin, hydrothermal liquefaction

Procedia PDF Downloads 85

Authors: Jugal Bhandari, K. Hari Priya

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The ECG signal provides important clinical information which could be used to pretend the diseases related to heart. Accordingly, delineation of ECG signal is an important task. Whereas delineation of P and T waves is a complex task. This paper deals with the Study of ECG signal and analysis of signal by means of Verilog Design of efficient filters and MATLAB tool effectively. It includes generation and simulation of ECG signal, by means of real time ECG data, ECG signal filtering and processing by analysis of different algorithms and techniques. In this paper, we design a basic particle filter which generates a dynamic model depending on the present and past input samples and then produces the desired output. Afterwards, the output will be processed by MATLAB to get the actual shape and accurate values of the ranges of P-wave and T-wave of ECG signal. In this paper, Questasim is a tool of mentor graphics which is being used for simulation and functional verification. The same design is again verified using Xilinx ISE which will be also used for synthesis, mapping and bit file generation. Xilinx FPGA board will be used for implementation of system. The final results of FPGA shall be verified with ChipScope Pro where the output data can be observed.

Keywords: ECG, MATLAB, Bayesian filtering, particle filter, Verilog hardware descriptive language

Procedia PDF Downloads 352

Authors: N. Berrouachedi, M. Bouslama, S. Rioual, B. Lescop, J. Langlois

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Using first-principles calculations within the LSDA (Local Spin Density Approximation) method based on density functional theory (DFT), the electronic structure and magnetic properties of zinc blende Fe/In0.5Ga0.5As/InPsuperlattice are investigated. This compound are found to be half -metallic ferromagnets with a total magnetic moment of 2.25μB per Fe. In addition to this, we reported the DRX measurements of the thick iron sample before and after annealing. One should note, after the annealing treatment at a higher temperature, the disappearance of the peak associated to the Fe(001) plane. In contrast to this report, we observed after the annealing at low temperature the additional peaks attributed to the presence of indium and Fe2As. This suggests a subsequent process consisting in a strong migration of atoms followed with crystallization at the higher temperature.To investigate the origin of magnetism and electronic structure in these zb compounds, we calculated the total and partial DOS of FeInP.One can see that µtotal=4.24µBand µFe=3.27µB in contrast µIn=0.021µB and µP=0.049µB.These results predicted that FeInP compound do belong to the class of zb half metallic HM ferromagnetswith a pseudo gap= 0.93 eVare more promising materials for spintronics devices.

Keywords: zincblend structure, half metallic ferromagnet, spin moments, total and partial DOS, DRX, Wien2k

Procedia PDF Downloads 250

Authors: Saman Sobhani

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Historical neighborhoods have special values inside them, and, in addition to inducing a sense of collective memories, they have to have some criteria in respect of achieving desirable environmental quality in order for citizens to live. From the perspective of urban planners and designers, a neighborhood as an urban space has to satisfy various needs of citizens in terms of activities as well as their spiritual requirements. In the research based on the component of environmental quality in one of the neighborhoods with historical value resulting from the theoretical model presented (functional-structural, physical-spatial, and substantive), integrated analysis has been performed on the Khajeh Khezr neighborhood in Kerman. Then, after studying the weaknesses and strengths points of it based on the AIDA model, some mechanisms have been presented to promote environmental quality based on neighborhood organization, and related urban design projects have been defined accordingly. Analyzing the findings shows that inhabitants in the Khajeh Khezr neighborhood are not much satisfied with the quality of the urban environment of the neighborhood. In the research, the descriptive-analytical method and review of texts have been used in the form of library studies, and case study has been applied as well as observation and questionnaire in the form of field studies.

Keywords: environmental quality, Kerman, Khajeh Khezr, neighborhood

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Authors: Madhurima Poddar, Vinay Sharma, Shaikh M. Mobin, Rajneesh Misra

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Three 1,8-naphthalimide (NPI) substituted 4,4-difluoroboradiaza-s-indacene (BODIPY) dyads were synthesized via Pd-catalyzed Sonogashira cross-coupling reaction of ethynyl substituted NPI with the meso-, β- and α-halogenated BODIPYs, respectively. The photophysical and electrochemical data reveals considerable electronic communication between the BODIPY and NPI moieties. The electronic absorption spectrum reveals that the substitution of NPI at α position of BODIPY exhibit better electronic communication between the NPI and the BODIPY units. The electronic structures of all the dyads exhibit planar geometries which are in a good correlation with the structures obtained from single crystal X-ray diffraction. The crystal structures of the dyads exhibit interesting supramolecular interactions. The dyads show good cytocompatibility with the potential of multicolor live-cell imaging; making them excellent candidates for biological applications. The work provides an important strategy of screening the substitution pattern at different position of BODIPYs which will be useful for the design of BODIPY based organic molecules for various optoelectronic applications as well as bio-imaging.

Keywords: bio-imaging studies, cross-coupling, cyclic voltammetry, density functional calculations, fluorescence spectra, single crystal XRD, UV/Vis spectroscopy

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Authors: Riham A. Ragheb, Ingy M. Naguib

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Conservation and urban investment are a prerequisite to improve the quality of life. Since the historic street is a part of the economic system, it should be able to play an important role in the city development by upgrading all services, public open spaces and reuse of historical buildings and sites. Furthermore, historical conservation enriches the political, economic, social, cultural and functional aspects of the site. Rosetta has been selected as an area of study because it has a unique character due to its possession of a variety of monuments and historical buildings. The aim of this research is to analyze the existing situation of an historic street named El Sheikh Kandil, to be able to identify the potentials and problems. The paper gives a proposal for the redesign and reinvestment of the street and the reuse for the historical buildings to serve the community, users and visitors. Then, it concludes with recommendations to improve quality of life through the rehabilitation of the historical buildings and strengthening of the cultural and historical identity of the street. Rosetta city can benefit from these development proposals by preserving and revitalizing its unique character which leads to tourism development and benefits from the new investments.

Keywords: adaptive reuse, heritage street, historic investment, restoration, urban design

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Authors: Lawrence Mzukisi Madikizela, Luke Chimuka

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Removal of organics from wastewater offers a better water quality, therefore, the purpose of this work was to investigate the use of molecularly imprinted polymer (MIP) for the elimination of selected organics from water. A multi-template MIP for the adsorption of naproxen, ibuprofen and diclofenac was synthesized using a bulk polymerization method. A MIP was synthesized at 70°C by employing 2-vinylpyridine, ethylene glycol dimethacrylate, toluene and 1,1’-azobis-(cyclohexanecarbonitrile) as functional monomer, cross-linker, porogen and initiator, respectively. Thermogravimetric characterization indicated that the polymer backbone collapses at 250°C and scanning electron microscopy revealed the porous and roughness nature of the MIP after elution of templates. The performance of the MIP in aqueous solutions was evaluated by optimizing several adsorption parameters. The optimized adsorption conditions were 50 mg of MIP, extraction time of 10 min, a sample pH of 4.6 and the initial concentration of 30 mg/L. The imprinting factors obtained for naproxen, ibuprofen and diclofenac were 1.25, 1.42, and 2.01, respectively. The order of selectivity for the MIP was; diclofenac > ibuprofen > naproxen. MIP showed great swelling in water with an initial swelling rate of 2.62 g/(g min). The synthesized MIP proved to be able to adsorb naproxen, ibuprofen and diclofenac from contaminated deionized water, wastewater influent and effluent.

Keywords: adsorption, molecularly imprinted polymer, multi template, pharmaceuticals

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Authors: Murtala Aminu, Salisu Adamu Aliero, Adamu Muhammed

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Records are a vital asset in ensuring that the institution is governed effectively and efficiently, and is accountable to its staff, students and the community that it serves. The major purpose of this study was to assess record management of the registry department of Kebbi state University of science and technology Aliero. To be able to achieve this objective, research questions were formulated and answers obtained, which centered on records creation, record management policy, challenges facing records management. The review of related literature revealed that there is need for records to be properly managed and in doing so there is need for good records management policy that clearly spells out the various programs required for effective records management. Survey research method was used involving questionnaire, and observation. The findings revealed that the registry department of the University still has a long way to go with respect to day-today records management. The study recommended provision for adequate, modern, safe and functional storage facilities, sufficient and regular funding, recruitment of trained personnel, on the job training for existing staff, computerization of all units records, and uninterrupted power supply to all parts of the unit as a means of ensuring proper records management.

Keywords: records, management, records management policy, registry

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Authors: Mustarakh Gelfi, Poonam Taneja, Tiedo Vellinga, Delon Hamonangan

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The initial masterplan of New Priok in the Port of Tanjung Priok was developed in 2012 is being updated to cater to new developments and new demands. In the new masterplan (2017), Phase II of development will start from 2035-onwards, depending on the future conditions. This study is about creating a robust masterplan for Phase II, which will remain functional under future uncertainties. The methodology applied in this study is scenario-based planning in the framework of Adaptive Port Planning (APP). Scenario-based planning helps to open up the perspective of the future as a horizon of possibilities. The scenarios are built around two major uncertainties in a 2x2 matrix approach. The two major uncertainties for New Priok port are economics and sustainability awareness. The outcome is four plausible scenarios: Green Port, Business As Usual, Moderate Expansion, and No Expansion. Terminal needs in each scenario are analyzed through traffic analysis and identifying the key cargos and commodities. In conclusion, this study gives the wide perspective for Port of Tanjung Priok for the planning Phase II of the development. The port has to realize that uncertainties persevere and are very likely to influence the decision making as to the future layouts. Instead of ignoring uncertainty, the port needs to make the action plans to deal with these uncertainties.

Keywords: Indonesia Port, port's layout, port planning, scenario-based planning

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Authors: Aicha Bouhlala, Sabah Chettibi

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Doping CeO₂ with transition metals is an effective way of tuning its properties. In the present work, we have performed self-consistent ab-initio calculation using the full-potential linearized augmented plane-wave method (FP-LAPW), based on the density functional theory (DFT) as implemented in the Wien2k simulation code to study the structural, electronic, and magnetic properties of the compound Ce₁₋ₓCuₓO₂ (x=12.5%) fluorite type oxide and to explore the effects of dopant Cu in ceria. The exchange correlation potential has been treated using the Perdew-Burke-Eenzerhof revised of solid (PBEsol). In structural properties, the equilibrium lattice constant is observed for the compound, which exists within the value of 5.382 A°. In electronic properties, the spin-polarized electronic bandstructure elucidates the semiconductor nature of the material in both spin channels, with the compound was observed to have a narrow bandgap on the spin-down configuration (0.162 EV) and bandgap on the spin-up (2.067 EV). Hence, the doped atom Cu plays a vital role in increasing the magnetic moments of the supercell, and the value of the total magnetic moment is found to be 2.99438 μB. Therefore, the compound Cu-doped CeO₂ shows a strong ferromagnetic behavior. The predicted results propose the compound could be a good candidate for spintronics applications.

Keywords: Cu-doped CeO₂, DFT, Wien2k, properties

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Authors: Y. Ruchi, A. Prerna, S. Deepshikha

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Amyotrophic lateral sclerosis (ALS), also known as “Lou Gehrig’s disease”. It is a neurodegenerative disease associated with degeneration of motor neurons in the cerebral cortex, brain stem, and spinal cord characterized by distal muscle weakness, atrophy, normal sensation, pyramidal signs and progressive muscular paralysis reflecting. ALS2 is a juvenile autosomal recessive disorder, slowly progressive, that maps to chromosome 2q33 and is associated with mutations in the alsin gene, a putative GTPase regulator. In this paper we have done homology modeling of alsin2 protein using multiple templates (3KCI_A, 4LIM_A, 402W_A, 4D9S_A, and 4DNV_A) designed using the Prime program in Schrödinger software. Further modeled structure is used to identify effective binding sites on the basis of structural and physical properties using sitemap program in Schrödinger software, structural and function analysis is done by using Prosite and ExPASy server that gives insight into conserved domains and motifs that can be used for protein classification. This paper summarizes the structural, functional and binding site property of alsin2 protein. These binding sites can be potential drug target sites and can be used for docking studies.

Keywords: ALS, binding site, homology modeling, neuronal degeneration

Procedia PDF Downloads 376

Authors: Mohammed Omar

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Using Chenopodium murale leaf, gold nanoparticles (Au NP's) were biosynthesized effectively in an amicable strategy. The casting process was used to create composite layers of sodium alginate and polyvinyl pyrrolidone. Gold nanoparticles were incorporated into the polyvinyl pyrrolidone (PVP)/ sodium alginate (NaAlg) polymer blend by casting technique. Before and after exposure to different doses of gamma irradiation (2, 4, 6 Mrad), thin films of synthesized nanocomposites were analyzed. XRD revealed the amorphous nature of polymer blends (PVP/ NaAlg), which decreased by both Au NP's embedding and consecutive doses of irradiation. FT-IR spectra revealed interactions and differences within the functional groups of their respective pristine components and dopant nano-fillers. The optical properties of PVP/NaAlg – Au NP thin films (refractive index n, energy gap Eg, Urbach energy Eu) were examined before and after the irradiation procedure. Transmission electron micrographs (TEM) demonstrated a decrease in the size of Au NP’s and narrow size distribution as the gamma irradiation dose was increased. Gamma irradiation was found to influence the electrical conductivity of synthesized composite films, as well as dielectric permittivity (ɛ′) and dielectric losses (ε″).

Keywords: PVP, SPR, γ-radiations, XRD

Procedia PDF Downloads 89

Authors: N. Boukabcha, Y. Megrouss, N. Benhalima, S. Yahiaoui, A. Chouaih, F. Hamzaoui

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We present the electron density analysis of organic compound 4-methyl-N-[(5- nitrothiophen-2-ylmethylidene)] aniline with chemical formula C12H10N2O2S. Indeed, determining the electrostatic properties of nonlinear optical organic compounds requires knowledge of the distribution of the electron density with high precision. On the other hand, a structural analysis is performed. Two methods are used to obtain the structure, X-ray diffraction and theoretical calculation with density functional theory (DFT). The electron density study is performed using the Mopro program1503 based on the multipolar model of Hansen and Coppens. Electron density analysis allows determination of the value and orientation of the dipole moment. The net atomic charges, electrostatic potential and the molecular dipole moment have been determined in order to understand the nature of inter- and intramolecular charge transfer. The study reveals the nature of intermolecular interactions including charge transfer and hydrogen bonds in the title compound. Crystallographic data: monoclinic system - space group P21 / n. Celle parameters: a = 4.7606 (4) Å, b = 22.415 (2) Å, c = 10.7008 (15) Å, β = 92.566 (13) 0, V = 1140.7 (2) Å3, Z = 4, R = 0.0034 for 2693 observed reflections.

Keywords: electron density, dipole moment, electrostatic potential, DFT, Mopro

Procedia PDF Downloads 298

Authors: Asma Temagoult, Bariza Zitouni, Yassin Noui

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Cactus fruit contains different nutritional and functional components, which are used because of their benefits to human health, such as flavonoids, phenolic compounds, carotenoids and vitamins C. It has hypoglycemic and hypolipidemic action, and antioxidant properties related to anticarcinogenic, antiulcerogenic and immunomodulatory effects. The antioxidant and nutritional properties have been characterized in cactus prickly pear (Opuntia ficus-indica Mill.), cultivar yellow, grown in Arris area; Eastern of Algeria. The antioxidant properties of this cactus cultivar were higher than the others cactus cultivar in the world. The amount of fruit phenolic compounds revealed contents between 20.65 and 45.70 mg / 100 g of FW for total polyphenols and 0.519 - 0.591 mg / 100 g of FW for the flavonoids. The antioxidant activity was evaluated by DPPH radical scavenging and FRAP (ferric reducing antioxidant power) methods. The average recorded to the potassium content is about 1070 mg / 100 g of the fresh weight; sodium is 60.7 mg / 100 g of the fresh weight and 80 mg / 100g for the calcium. According to the high value of this cactus, it was considered as a good nutrient and important pharmaceutical resource. It could be used as a natural additive or substituted food supplement in many foodstuffs production, to benefit from these benefits.

Keywords: antioxidant properties, DPPH, FRAP, nutritional properties, Opuntia ficus indica

Procedia PDF Downloads 295

Authors: Rohith J. K., Amir Nazemi, Abbas S. Milani

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In Paralympic sports, athletes often depend on some form of equipment to enable competitive sporting, where most of this equipment would only allow passive physiological supports and discrete physiological measurements. Active feedback physiological support and continuous detection of performance indicators, without time or space constraints, would be beneficial in more effective training and performance measures of Paralympic athletes. Moreover, occasionally the athletes suffer from fatigue and muscular stains due to improper monitoring systems. The latter challenges can be overcome by using Smart Composites technology when manufacturing, e.g., knee brace and other sports wearables utilities, where the sensors can be fused together into the fabric and an assisted system actively support the athlete. This paper shows how different sensing functionality may be created by intrinsic and extrinsic modifications onto different types of composite fabrics, depending on the level of integration and the employed functional elements. Results demonstrate that fabric sensors can be well-tailored to measure muscular strain and be used in the fabrication of a smart knee brace as a sample potential application. Materials, connectors, fabric circuits, interconnects, encapsulation and fabrication methods associated with such smart fabric technologies prove to be customizable and versatile.

Keywords: smart composites, sensors, smart fabrics, knee brace

Procedia PDF Downloads 166

Authors: I. Nazari, B. Shaabani, P. Abaasifar

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In small quantities certain heavy metals are nutritionally essential for a healthy life. The heavy metals linked most often to human poisoning are lead, mercury, arsenic, and cadmium. Other heavy metals including copper, zinc and chromium are actually required by the body in small quantity but can also be toxic in large doses. Nowadays, we have contamination to this heavy metals in some untreated industrial waste waters and even in several populated cities drinking waters around the world. The contamination of ground and underground water sources to heavy metals can be concentrated and travel up to food chain by drinking water and agricultural products. In recent years, the need for safe and economical methods for removal of heavy metals from contaminated water has necessitated research interest towards the finding low-cost alternatives. Bio-adsorbents have emerged as low-cost and efficient materials for the removal of heavy metals from waste and ground waters. The bio-adsorbents have an affinity for heavy metals ions to form metal complexes or chelates due to having functional groups including carboxyl, hydroxyl, imidazole, and etc. The objective of this study is to review researches in less expensive adsorbents and their utilization possibilities for various low-cost bio-adsorbents such as coffee beans, rice husk, and saw dust for the removal of heavy metals from contaminated waters.

Keywords: heavy metals, water pollution, bio-adsorbents, low cost adsorbents

Procedia PDF Downloads 336

Authors: I Nyoman Larry Julianto, Pribadi Widodo

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The phenomenon of cultural change is the result of the process of shifting, reducing and adding elements of cultural systems because of the process of interaction with the environment. Interestingly in the temple area in Bali, there is a phenomenon of symbol visualization change in the form of pelinggih, which is in the shaped of the car. As a result of the sacralization process of the symbol, the function of its essence is remained as a place of worship. Hindu communities in Bali can accept that phenomenon in their religious life as a process of today's cultural acculturation. Through an interpretive ethnographic study, it is tried to understand the 'creative concept’of that symbol materialization in its interaction process. The result of the research stated that the interaction value of the symbol visualization change is constructed from the application of 'value' and 'meaning' of the previous pelinggih. The ritual procession and the reinforcement of the mythical mind, make the 'value' of the visualization change of the pelinggih leads to a sacred, religious conception. In the future, the development of the human mind is more functional, but it does not eliminate the mythological value due to the interaction with the surrounding social environment, so the visualization of the symbol in the form of pelinggih which is in the shape of the car will be the identity of a new cultural heritage. The understanding of the influence of mental representation of human being in an effort toward his spiritual awareness will be able to be the advanced research.

Keywords: the power of symbol, visual change, pelinggih, Bali

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Authors: M. A. Karakassides, M. Baikousi, A. Kouloumpis, D. Gournis

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Nanocomposites of Carbon Nanorods (CNRs) with Polystyrene (PS), have been synthesized successfully by means of in situ polymerization process and characterized. Firstly, carbon nanorods with graphitic structure were prepared by the standard synthetic procedure of CMK-3 using MCM-41 as template, instead of SBA-15, and sucrose as carbon source. In order to create an organophilic surface on CNRs, two parts of modification were realized: surface chemical oxidation (CNRs-ox) according to the Staudenmaier’s method and the attachment of octadecylamine molecules on the functional groups of CNRs-ox (CNRs-ODA The nanocomposite materials of polystyrene with CNRs-ODA, were prepared by a solution-precipitation method at three nanoadditive to polymer loadings (1, 3 and 5 wt. %). The as derived nanocomposites were studied with a combination of characterization and analytical techniques. Especially, Fourier-transform infrared (FT-IR) and Raman spectroscopies were used for the chemical and structural characterization of the pristine materials and the derived nanocomposites while the morphology of nanocomposites and the dispersion of the carbon nanorods were analyzed by atomic force and scanning electron microscopy techniques. Tensile testing and thermogravimetric analysis (TGA) along with differential scanning calorimetry (DSC) were also used to examine the mechanical properties and thermal stability -glass transition temperature of PS after the incorporation of CNRs-ODA nanorods. The results showed that the thermal and mechanical properties of the PS/ CNRs-ODA nanocomposites gradually improved with increasing of CNRs-ODA loading.

Keywords: nanocomposites, polystyrene, carbon, nanorods

Procedia PDF Downloads 337

Authors: Yanuarti Retnaningrum, Cendrawasih A. Farmasyanti, Kuswahyuning

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Orthodontists find challenges in treating patients who have cases of macroglossia and multiple tooth agenesis because difficulties in determining the causes, formulating a diagnosis and the potential for relapse after treatment. Definition of macroglossia is a tongue enlargement due to muscle hypertrophy, tumor or an endocrine disturbance. Macroglossia may cause many problems such as anterior proclination of upper and lower incisors, development of general diastema and anterior and/ or posterior open bite. Treatment for such patients with multiple tooth agenesis and macroglossia can be complex and must consider orthodontic and/or surgical interventions. This article discusses an orthodontic non surgical approach to a patient with a general diastema in both maxilla and mandible associated with multiple tooth agenesis and macroglossia. Fixed orthodontic therapy with straightwire appliance was used for space closure in anterior region of maxilla and mandible, also to create a space suitable for future prosthetic restoration. After 12 months treatment, stable and functional occlusal relationships was achieved, although still have edentulous area in both maxilla and mandible. At the end of the orthodontic treatment was obtained with correct overbite and overjet values. After removal of the brackets, a maxillary and mandibular removable retainer combine with artificial tooth were placed for retention.

Keywords: general diastema, macroglossia, space closure, tooth agenesis

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Authors: G. V. Novikov, V. S. Sivozhelezov, S. S. Kolesnikov, K. V. Shaitan

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The study reports about the influence of binding of orthosteric ligands as well as point mutations on the conformational dynamics of β-2-adrenoreceptor. Using molecular dynamics simulation we found that there was a little fraction of active states of the receptor in its apo (ligand free) ensemble corresponded to its constitutive activity. Analysis of MD trajectories indicated that such spontaneous activation of the receptor is accompanied by the motion in intracellular part of its alpha-helices. Thus receptor’s constitutive activity directly results from its conformational dynamics. On the other hand the binding of a full agonist resulted in a significant shift of the initial equilibrium towards its active state. Finally, the binding of the inverse agonist stabilized the receptor in its inactive state. It is likely that the binding of inverse agonists might be a universal way of constitutive activity inhibition in vivo. Our results indicate that ligand binding redistribute pre-existing conformational degrees of freedom (in accordance to the Monod-Wyman-Changeux-Model) of the receptor rather than cause induced fit in it. Therefore, the ensemble of biologically relevant receptor conformations is encoded in its spatial structure, and individual conformations from that ensemble might be used by the cell in conformity with the physiological behaviour.

Keywords: seven-transmembrane receptors, constitutive activity, activation, x-ray crystallography, principal component analysis, molecular dynamics simulation

Procedia PDF Downloads 241

Authors: Zheng Zhang, Xin Chen, Guoqing Ding

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Electronic apex locators (EAL) has been widely used clinically for measuring root canal working length with high accuracy, which is crucial for successful endodontic treatment. In order to maintain high accuracy in different measurement environments, this study presented a system for root canal length measurement based on multifrequency impedance method. This measuring system can generate a sweep current with frequencies from 100 Hz to 1 MHz through a direct digital synthesizer. Multiple impedance ratios with different combinations of frequencies were obtained and transmitted by an analog-to-digital converter and several of them with representatives will be selected after data process. The system analyzed the functional relationship between these impedance ratios and the distance between the file and the apex with statistics by measuring plenty of teeth. The position of the apical foramen can be determined by the statistical model using these impedance ratios. The experimental results revealed that the accuracy of the system based on multifrequency impedance ratios method to determine the position of the apical foramen was higher than the dual-frequency impedance ratio method. Besides that, for more complex measurement environments, the performance of the system was more stable.

Keywords: root canal length, apex locator, multifrequency impedance, sweep frequency

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Authors: Mehdi Tavana, Seyedeh Zeinab Peighambarzadeh

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Pyelography is used for morphologic and especially functional studies of the urinary tracts. There are many indications for excretory Pyelography in humans and animals. Intravenous Pyelography is the most practical method; other Pyelography techniques were manipulated because of difficulties for finding veins in small size of the patients. At the best of times, the combination of small veins and abundant subcutaneous tissue makes vascular access difficult or impossible, therefore, another methods of administration of contrast media is desired. This study was performed to evaluate the feasibility of intraosseous injection of iodixanol in providing a safe and diagnostic urogram in Persian squirrel. Fourteen hundred mg iodine per kilogram body weight of iodixanol was injected subcutaneously over tibial tuberosity on ten clinically healthy adult Persian squirrels with no signs of urinary system disorder. Lateral and ventrodorsal radiographs were taken every 2 minutes until the pyelogram was finished. Intraosseous injection of iodixanol was successful to show nephrogram, pyelogram, uretrogram and cystogram clearly. There were no abnormal clinical signs after one week of experiments. Biochemical and hematological profiles were in normal ranges. It is concluded that intraosseous Pyelography is an effective and reliable method for Pyelography studies in squirrel. Microscopic examinations of the kidneys and the site of injection after one week were normal.

Keywords: pyelography, intraosseous injection, iodixanol, persian squirrel

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Authors: A. Aly Salwa, H. Diekmann, S. Hafiz Ragaa, DG Abo Elhassan

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This study was aimed to evaluate the effect of Milbond (HSCAS) on aflatoxin M1 in artificially contaminated cows milk. Chemisorption compounds used in this experiment were MIlBond, hydrated sodium calcium aluminosilicate (HSCAS). Raw cow milk were artificially exposed to aflatoxin M1 in a concentration of 100 ppb) with addition of Nilbond at 0.5, 1, 2 and 3 % at room temperature for 30 minutes. Aflatoxin M1 was decreased more than 95% by HSCAS at 2%. Milk composition consist of protein, fat, lactose, solid non fat and total solid were affected by addition of some adsorbents were not significantly affected (p 0.05). Tthis method did not involve degrading the toxin, milk may be free from toxin degradation products and is safe for consumption. In addition, the added material may be easily separated from milk after the substance adsorbs the toxin. Thus, this method should be developed by further researches for determining effects of these compounds on functional properties of milk. The ability of hydrated sodium calcium aluminosilicate to prevent or reduce the level of aflatoxin MI residues in milk is critically needed. This finding has important implications, because milk is ultimately consumed by humans and animals, and the reduction of aflatoxin contamination in the milk could have an important impact on their health.

Keywords: aflatoxin M1, Hydrated sodium calcium aluminium silicate, detoxification, raw cow milk

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Authors: Rafat M. Mohareb

Abstract:

Several D-ring alkylated estrone analogues display exceptionally high affinity for estrogen receptors. In particular, compounds in which an E-ring is formed are known to be involved in the inhibition of steroidogenic enzymes. Such compounds also have an effect on steroid dehydrogenase activity and the ability to inhibit the detrimental action of the steroid sulfatase enzyme. Generally, E-ring extended steroids have been accessed by modification of the C17-ketone in the D-ring by either arylimine or oximino formation, addition of a carbon nucleophile or hydrazone formation. Other approaches have included ketone reduction, silyl enol ether formation or ring-closing metathesis (giving five- or six-membered E-rings). Chemical modification of the steroid D-ring provides a way to alter the functional groups, sizes and stereochemistry of the D-ring, and numerous structure-activity relationships have been established by such synthetic alterations. Steroids bearing heterocycles fused to the D-ring of the steroid nucleus have been of pharmaceutical interest. In the present paper, we report on the efficient synthesis of estrone possessing pyran, pyrimidine and thiazole ring systems. This study focused on the synthesis and biochemical evaluation of newly synthesized heterocyclic compounds which were then subjected through inhibitory evaluations towards human cancer and normal cell lines.

Keywords: estrone, heterocyclization, cytotoxicity, biomedicine

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Authors: Thangaraj Arasakumar, Athar Ata, Palathurai Subramaniam Mohan

Abstract:

A series of novel 4-quinolone-3-carboxylic acid grafted spiropyrrolidines as new type of antibacterial agents were synthesized via multicomponent 1,3-dipolar cycloaddition reaction of an azomethine ylides with a newly prepared (E)-4-oxo-6-(3-phenyl-acryloyl)-1,4-dihydro-quinoline-3-carboxylic acids in high regioselectivity with good yields. The structure of cycloadduct characterized by FT IR, mass, 1H, 13C, 2D NMR techniques and elemental analysis. Structure and spectrometry of compound 8a has been investigated theoretically by using HF and DFT approach at B3LYP, M05-2x/6-31G* levels of theories. The optimized geometries and calculated vibrational frequencies are evaluated via comparison with experimental values. A good agreement is found between the measured and calculated values. The DFT studies support the molecular mechanism of this cycloaddition reaction and determine the molecular electrostatic potential and thermodynamic properties. Furthermore, the antibacterial activities of synthesized compounds were evaluated against Gram-positive bacteria (Staphylococcus aureus, Bacillus subtilis) and Gram-negative bacteria strains (Escherichia coli, Klebsiella pneumoniae). Among 21 compounds screened, 8f and 8p were found to be more active against tested bacteria.

Keywords: antibacterial activity, azomethine ylide, DFT calculation, spirooxindole

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Authors: Jinliang Yuan, Jong-Sung Yu, Bengt Sundén

Abstract:

A computational fluid dynamics (CFD) model is developed for rechargeable non-aqueous electrolyte lithium-air batteries with a partial opening for oxygen supply to the cathode. Multi-phase transport phenomena occurred in the battery are considered, including dissolved lithium ions and oxygen gas in the liquid electrolyte, solid-phase electron transfer in the porous functional materials and liquid-phase charge transport in the electrolyte. These transport processes are coupled with the electrochemical reactions at the active surfaces, and effects of discharge reaction-generated solid Li2O2 on the transport properties and the electrochemical reaction rate are evaluated and implemented in the model. The predicted results are discussed and analyzed in terms of the spatial and transient distribution of various parameters, such as local oxygen concentration, reaction rate, variable solid Li2O2 volume fraction and porosity, as well as the effective diffusion coefficients. It is found that the effect of the solid Li2O2 product deposited at the solid active surfaces is significant on the transport phenomena and the overall battery performance.

Keywords: Computational Fluid Dynamics (CFD), modeling, multi-phase, transport phenomena, lithium-air battery

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Authors: Nastas Andrei

Abstract:

Ensuring accessible and functional justice is one of the priority objectives of judicial reform, and protecting the family against any acts that may harm its existence is one of the first priorities that have determined the need to defend the social order. In this context, the correlative approach of the victim and the aggressor becomes relevant as a subject of the crime of domestic violence. Domestic violence is a threat of physical, moral, or material harm, externalized now or in the past, or its provocation, which is characterized by a constant tendency to escalate and a high probability of repetitiveness in the relationship between the social partners, regardless of their legal status or domicile.Studying the legal support to identify the particularities of the victim and the subject of the crime of domestic violence facilitates the identification of the determinants of this crime, therefore, the development of means to prevent domestic violence. The scientific research has been effectuated on the base of the proper and authentic empirical data obtained from the analysis of the judicial practice in the matter of domestic violence, as well as being based on the most recent scientific issues in the field of the Substantive Criminal Law and other branches of science (criminology, psychology, sociology, pedagogy). As a result of the study performed, there have been formulated conclusions and interpretations able to be used in the science of the Substantive Criminal law, as well as in the practice of application of the legal norm in the matter of domestic violence.

Keywords: family violence, victim, crime, violence

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Authors: Alireza Taghdiri, Sara Ghanbarzade Ghomi

Abstract:

With the gravity load reduction in the structural and non-structural components, the lightweight construction will be achieved as well as the improvement of efficiency and functional specifications. The advantages of lightweight construction can be examined in two levels. The first is the mass reduction of load bearing structure which results in increasing internal useful space and the other one is the mass reduction of building which decreases the effects of seismic load as a result. In order to achieve this goal, the essential building materials specifications and also optimum load bearing geometry of structural systems and elements have to be considered, so lightweight materials selection particularly with lightweight aggregate for building components will be the first step of lightweight construction. In the next step, in addition to selecting the prominent samples of Iran's traditional architecture, the process of these works improvement is analyzed through the viewpoints of structural efficiency and lightweighting and also the practical methods of lightweight construction have been extracted. The optimum design of load bearing geometry of structural system has to be considered not only in the structural system elements, but also in their composition and the selection of dimensions, proportions, forms and optimum orientations, can lead to get a maximum materials efficiency for loads and stresses bearing.

Keywords: gravity load, light-weighting structural system, load bearing geometry, seismic behavior

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Authors: Lamla Thungathaa, Conrad Mahlasea, Lisa Ngcebesha

Abstract:

1,4-Diamino-3,6-dinitropyrazolo[4,3-c]pyrazole (LLM-119) and its structural isomer 3,6-dinitropyrazolo[3,4-c]pyrazole-1,4(6H)-diamine were designed by structural reorientation of the fused pyrazole rings and their respective substituents (-NO2 and -NH2). Structural reorientation involves structural rearrangement which result in different structural isomers, employing this approach, six structural isomers of LLM-119 were achieved. The effect of structural reorientation (isomerisation and derivatives) on the enthalpy of formation, detonation properties, impact sensitivity, and density of these molecules is studied Computationally. The computational method used are detailed in the document and they yielded results that are close to the literature values with a relative error of 2% for enthalpy of formation, 2% for density, 0.05% for detonation velocity, and 4% for detonation pressure. The correlation of the structural reorientation to the calculated thermochemical and detonation properties of the molecules indicated that molecules with a -NO2 group attached to a Carbon atom and -NH2 connected to a Nitrogen atom maximize the enthalpy of formation and detonation velocity. The joining of pyrazole molecules has less effect on these parameters. It was seen that density and detonation pressure improved when both –NO2 or -NH2 functional groups were on the same side of the molecular structure. The structural reorientation gave rise to 3,4-dinitropyrazolo[3,4-c]pyrazole-1,6-diamine which exhibited optimal density and detonation performance compared to other molecules.

Keywords: LLM-119, fused rings, azole, structural isomers, detonation properties

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