Search results for: retaining structure
1978 Search for APN Permutations in Rings ℤ_2×ℤ_2^k
Authors: Daniel Panario, Daniel Santana de Freitas, Brett Stevens
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Almost Perfect Nonlinear (APN) permutations with optimal resistance against differential cryptanalysis can be found in several domains. The permutation used in the standard for symmetric cryptography (the AES), for example, is based on a special kind of inversion in GF(28). Although very close to APN (2-uniform), this permutation still contains one number 4 in its differential spectrum, which means that, rigorously, it must be classified as 4-uniform. This fact motivates the search for fully APN permutations in other domains of definition. The extremely high complexity associated to this kind of problem precludes an exhaustive search for an APN permutation with 256 elements to be performed without the support of a suitable mathematical structure. On the other hand, in principle, there is nothing to indicate which mathematically structured domains can effectively help the search, and it is necessary to test several domains. In this work, the search for APN permutations in rings ℤ2×ℤ2k is investigated. After a full, exhaustive search with k=2 and k=3, all possible APN permutations in those rings were recorded, together with their differential profiles. Some very promising heuristics in these cases were collected so that, when used as a basis to prune backtracking for the same search in ℤ2×ℤ8 (search space with size 16! ≅244), just a few tenths of a second were enough to produce an APN permutation in a single CPU. Those heuristics were empirically extrapolated so that they could be applied to a backtracking search for APNs over ℤ2×ℤ16 (search space with size 32! ≅2117). The best permutations found in this search were further refined through Simulated Annealing, with a definition of neighbors suitable to this domain. The best result produced with this scheme was a 3-uniform permutation over ℤ2×ℤ16 with only 24 values equal to 3 in the differential spectrum (all the other 968 values were less than or equal 2, as it should be the case for an APN permutation). Although far from being fully APN, this result is technically better than a 4-uniform permutation and demanded only a few seconds in a single CPU. This is a strong indication that the use of mathematically structured domains, like the rings described in this work, together with heuristics based on smaller cases, can lead to dramatic cuts in the computational resources involved in the complexity of the search for APN permutations in extremely large domains.Keywords: APN permutations, heuristic searches, symmetric cryptography, S-box design
Procedia PDF Downloads 1591977 Numerical Evaluation of Deep Ground Settlement Induced by Groundwater Changes During Pumping and Recovery Test in Shanghai
Authors: Shuo Wang
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The hydrogeological parameters of the engineering site and the hydraulic connection between the aquifers can be obtained by the pumping test. Through the recovery test, the characteristics of water level recovery and the law of surface subsidence recovery can be understood. The above two tests can provide the basis for subsequent engineering design. At present, the deformation of deep soil caused by pumping tests is often neglected. However, some studies have shown that the maximum settlement subject to groundwater drawdown is not necessarily on the surface but in the deep soil. In addition, the law of settlement recovery of each soil layer subject to water level recovery is not clear. If the deformation-sensitive structure is deep in the test site, safety accidents may occur. In this study, the pumping test and recovery test of a confined aquifer in Shanghai are introduced. The law of measured groundwater changes and surface subsidence are analyzed. In addition, the fluid-solid coupling model was established by ABAQUS based on the Biot consolidation theory. The models are verified by comparing the computed and measured results. Further, the variation law of water level and the deformation law of deep soil during pumping and recovery tests under different site conditions and different times and spaces are discussed through the above model. It is found that the maximum soil settlement caused by pumping in a confined aquifer is related to the permeability of the overlying aquitard and pumping time. There is a lag between soil deformation and groundwater changes, and the recovery rate of settlement deformation of each soil layer caused by the rise of water level is different. Finally, some possible research directions are proposed to provide new ideas for academic research in this field.Keywords: coupled hydro-mechanical analysis, deep ground settlement, numerical simulation, pumping test, recovery test
Procedia PDF Downloads 441976 Multi-Impairment Compensation Based Deep Neural Networks for 16-QAM Coherent Optical Orthogonal Frequency Division Multiplexing System
Authors: Ying Han, Yuanxiang Chen, Yongtao Huang, Jia Fu, Kaile Li, Shangjing Lin, Jianguo Yu
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In long-haul and high-speed optical transmission system, the orthogonal frequency division multiplexing (OFDM) signal suffers various linear and non-linear impairments. In recent years, researchers have proposed compensation schemes for specific impairment, and the effects are remarkable. However, different impairment compensation algorithms have caused an increase in transmission delay. With the widespread application of deep neural networks (DNN) in communication, multi-impairment compensation based on DNN will be a promising scheme. In this paper, we propose and apply DNN to compensate multi-impairment of 16-QAM coherent optical OFDM signal, thereby improving the performance of the transmission system. The trained DNN models are applied in the offline digital signal processing (DSP) module of the transmission system. The models can optimize the constellation mapping signals at the transmitter and compensate multi-impairment of the OFDM decoded signal at the receiver. Furthermore, the models reduce the peak to average power ratio (PAPR) of the transmitted OFDM signal and the bit error rate (BER) of the received signal. We verify the effectiveness of the proposed scheme for 16-QAM Coherent Optical OFDM signal and demonstrate and analyze transmission performance in different transmission scenarios. The experimental results show that the PAPR and BER of the transmission system are significantly reduced after using the trained DNN. It shows that the DNN with specific loss function and network structure can optimize the transmitted signal and learn the channel feature and compensate for multi-impairment in fiber transmission effectively.Keywords: coherent optical OFDM, deep neural network, multi-impairment compensation, optical transmission
Procedia PDF Downloads 1431975 Regulation Aspects for a Radioisotope Production Installation in Brazil
Authors: Rian O. Miranda, Lidia V. de Sa, Julio C. Suita
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The Brazilian Nuclear Energy Commission (CNEN) is the main manufacturer of radiopharmaceuticals in Brazil. The Nuclear Engineering Institute (IEN), located at Rio de Janeiro, is one of its main centers of research and production, attending public and private hospitals in the state. This radiopharmaceutical production is used in diagnostic and therapy procedures and allows one and a half million nuclear medicine procedures annually. Despite this, the country is not self-sufficient to meet national demand, creating the need for importation and consequent dependence on other countries. However, IEN facilities were designed in the 60's, and today its structure is inadequate in relation to the good manufacturing practices established by sanitary regulator (ANVISA) and radiological protection leading to the need for a new project. In order to adapt and increase production in the country, a new plant will be built and integrated to the existing facilities with a new 30 MeV Cyclotron that is actually in project detailing process. Thus, it is proposed to survey current CNEN and ANVISA standards for radiopharmaceutical production facilities, as well as the radiological protection analysis of each area of the plant, following good manufacturing practices recommendations adopted nationally besides licensing exigencies for radioactive facilities. In this way, the main requirements for proper operation, equipment location, building materials, area classification, and maintenance program have been implemented. The access controls, interlocks, segregation zones and pass-through boxes integrated into the project were also analyzed. As a result, IEN will in future have the flexibility to produce all necessary radioisotopes for nuclear medicine application, more efficiently by simultaneously bombarding two targets, allowing the simultaneous production of two different radioisotopes, minimizing radiation exposure and saving operating costs.Keywords: cyclotron, legislation, norms, production, radiopharmaceuticals
Procedia PDF Downloads 1351974 Investigating the Behaviour of Composite Floors (Steel Beams and Concrete Slabs) under Mans Rhythmical Movement
Authors: M. Ali Lotfollahi Yaghin, M. Reza Bagerzadeh Karimi, Ali Rahmani, V. Sadeghi Balkanlou
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Structural engineers have long been trying to develop solutions using the full potential of its composing materials. Therefore, there is no doubt that the structural solution progress is directly related to an increase in materials science knowledge. These efforts in conjunction with up-to-date modern construction techniques have led to an extensive use of composite floors in large span structures. On the other hand, the competitive trends of the world market have long been forcing structural engineers to develop minimum weight and labour cost solutions. A direct consequence of this new design trend is a considerable increase in problems related to unwanted floor vibrations. For this reason, the structural floors systems become vulnerable to excessive vibrations produced by impacts such as human rhythmic activities. The main objective of this paper is to present an analysis methodology for the evaluation of the composite floors human comfort. This procedure takes into account a more realistic loading model developed to incorporate the dynamic effects induced by human walking. The investigated structural models were based on various composite floors, with main spans varying from 5 to 10 m. based on an extensive parametric study the composite floors dynamic response, in terms of peak accelerations, was obtained and compared to the limiting values proposed by several authors and design standards. This strategy was adopted to provide a more realistic evaluation for this type of structure when subjected to vibration due to human walking.Keywords: vibration, resonance, composite floors, people’s rhythmic movement, dynamic analysis, Abaqus software
Procedia PDF Downloads 3041973 Photoluminescence in Cerium Doped Fluorides Prepared by Slow Precipitation Method
Authors: Aarti Muley, S. J. Dhoblae
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CaF₂ and BaF₂ doped with cerium were prepared by slow precipitation method with different molar concentration and different cerium concentration. Both the samples were also prepared by direct method for comparison. The XRD of BaF₂:Ce shows that it crystallizes to BCC structure. The peak matches with JCPDS file no. 4-0452. Also, The XRD pattern of CaF₂:Ce matches well with the JCPDS file number 75- 0363 and crystallized to BCC phase. In CaF₂, the double-humped photoluminescence spectra were observed at 320nm and 340nm when the sample was prepared by the direct precipitation method, and the ratio between these peaks is unity. However when the sample prepared by slow precipitation method the double-humped emission spectra of CaF₂:Ce was observed at 323nm and 340nm. The ratio between these peaks is 0.58, and the optimum concentration is obtained for 0.1 molar CaF₂ with Ce concentration 1.5%. When the cerium concentration is increased by 2% the peak at 323nm vanishes, and the emission was observed at 342nm with the shoulder at 360nm. In this case, the intensity reduces drastically. The excitation is observed at 305nm with a small peak at 254nm. One molar BaF₂ doped with 0.1% of cerium was synthesized by direct precipitation method gives double humped spectra at 308nm and 320nm, when it is prepared with slow precipitation method with the cerium concentration 0.05m%, 0.1m%, 0.15m%, 0.2m% the broad emission is observed around 325nm with the shoulder at 350nm. The excitation spectra are narrow and observed at 290nm. As the percentage of cerium is increased further again shift is observed. The emission spectra were observed at 360nm with a small peak at 330nm. The phenomenon of shifting of emission spectra at low concentration of cerium can directly relate with the particle size and reported for nanomaterials also.Keywords: calcium fluoride, barium fluoride, photoluminescence, slow precipitation method
Procedia PDF Downloads 1091972 Elements of Sector Benchmarking in Physical Education Curriculum: An Indian Perspective
Authors: Kalpana Sharma, Jyoti Mann
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The study was designed towards institutional analysis for a clear understanding of the process involved in functioning and layout of determinants influencing physical education teacher’s education program in India. This further can be recommended for selection of parameters for creating sector benchmarking for physical education teachers training institutions across India. 165 stakeholders involving students, teachers, parents, administrators were surveyed from the identified seven institutions and universities from different states of India. They were surveyed on the basis of seven broad parameters which were associated with the post graduate physical education program in India. A physical education program assessment tool of 52 items was designed to administer it among the stakeholders selected for the survey. An item analysis of the contents was concluded through the review process from selected experts working in higher education with experience in teacher training program in physical education. The data was collected from the stakeholders of the selected institutions through Physical Education Program Assessment Tool (PEPAT). The hypothesis that PE teacher education program is independent of physical education institutions was significant. The study directed a need towards robust admission process emphasizing on identification, selection of potential candidates and quality control of intake with the scientific process developed according to the Indian education policies and academic structure. The results revealed that the universities do not have similar functional and delivery process related to the physical education teacher training program. The study reflects towards the need for physical education universities and institutions to identify the best practices to be followed regarding the functioning of delivery of physical education programs at various institutions through strategic management studies on the identified parameters before establishing strict standards and norms for achieving excellence in physical education in India.Keywords: assessment, benchmarking, curriculum, physical education, teacher education
Procedia PDF Downloads 5591971 Furniture Embodied Carbon Calculator for Interior Design Projects
Authors: Javkhlan Nyamjav, Simona Fischer, Lauren Garner, Veronica McCracken
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Current whole building life cycle assessments (LCA) primarily focus on structural and major architectural elements to measure building embodied carbon. Most of the interior finishes and fixtures are available on digital tools (such as Tally); however, furniture is still left unaccounted for. Due to its repeated refreshments and its complexity, furniture embodied carbon can accumulate over time, becoming comparable to structure and envelope numbers. This paper presents a method to calculate the Global Warming Potential (GWP) of furniture elements in commercial buildings. The calculator uses the quantity takeoff method with GWP averages gathered from environmental product declarations (EPD). The data was collected from EPD databases and furniture manufacturers from North America to Europe. A total of 48 GWP numbers were collected, with 16 GWP coming from alternative EPD. The finalized calculator shows the average GWP of typical commercial furniture and helps the decision-making process to reduce embodied carbon. The calculator was tested on MSR Design projects and showed furniture can account for more than half of the interior embodied carbon. The calculator highlights the importance of adding furniture to the overall conversation. However, the data collection process showed a) acquiring furniture EPD is not straightforward as other building materials; b) there are very limited furniture EPD, which can be explained from many perspectives, including the EPD price; c) the EPD themselves vary in terms of units, LCA scopes, and timeframes, which makes it hard to compare the products. Even though there are current limitations, the emerging focus on interior embodied carbon will create more demand for furniture EPD. It will allow manufacturers to represent all their efforts on reducing embodied carbon. In addition, the study concludes with recommendations on how designers can reduce furniture-embodied carbon through reuse and closed-loop systems.Keywords: furniture, embodied carbon, calculator, tenant improvement, interior design
Procedia PDF Downloads 2171970 Experimental Investigations on the Mechanical properties of Spiny (Kawayan Tinik) Bamboo Layers
Authors: Ma. Doreen E. Candelaria, Ma. Louise Margaret A. Ramos, Dr. Jaime Y. Hernandez, Jr
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Bamboo has been introduced as a possible alternative to some construction materials nowadays. Its potential use in the field of engineering, however, is still not widely practiced due to insufficient engineering knowledge on the material’s properties and characteristics. Although there are researches and studies proving its advantages, it is still not enough to say that bamboo can sustain and provide the strength and capacity required of common structures. In line with this, a more detailed analysis was made to observe the layered structure of the bamboo, particularly the species of Kawayan Tinik. It is the main intent of this research to provide the necessary experiments to determine the tensile strength of dried bamboo samples. The test includes tensile strength parallel to fibers with samples taken at internodes only. Throughout the experiment, methods suggested by the International Organization for Standardization (ISO) were followed. The specimens were tested using 3366 INSTRON Universal Testing Machine, with a rate of loading set to 0.6 mm/min. It was then observed from the results of these experiments that dried bamboo samples recorded high layered tensile strengths, as high as 600 MPa. Likewise, along the culm’s length and across its cross section, higher tensile strength were observed at the top part and at its outer layers. Overall, the top part recorded the highest tensile strength per layer, with its outer layers having tensile strength as high as 600 MPa. The recorded tensile strength of its middle and inner layers, on the other hand, were approximately 450 MPa and 180 MPa, respectively. From this variation in tensile strength across the cross section, it may be concluded that an increase in tensile strength may be observed towards the outer periphery of the bamboo. With these preliminary investigations on the layered tensile strength of bamboo, it is highly recommended to conduct experimental investigations on the layered compressive strength properties as well. It is also suggested to conduct investigations evaluating perpendicular layered tensile strength of the material.Keywords: bamboo strength, layered strength tests, strength test, tensile test
Procedia PDF Downloads 4181969 Analytical Method for Seismic Analysis of Shaft-Tunnel Junction under Longitudinal Excitations
Authors: Jinghua Zhang
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Shaft-tunnel junction is a typical case of the structural nonuniformity in underground structures. The shaft and the tunnel possess greatly different structural features. Even under uniform excitations, they tend to behave discrepantly. Studies on shaft-tunnel junctions are mainly performed numerically. Shaking table tests are also conducted. Although many numerical and experimental data are obtained, an analytical solution still has great merits of gaining more insights into the shaft-tunnel problem. This paper will try to remedy the situation. Since the seismic responses of shaft-tunnel junctions are very related to directions of the excitations, they are studied in two scenarios: the longitudinal-excitation scenario and the transverse-excitation scenario. The former scenario will be addressed in this paper. Given that responses of the tunnel are highly dependent on the shaft, the analytical solutions would be developed firstly for the vertical shaft. Then, the seismic responses of the tunnel would be discussed. Since vertical shafts bear a resemblance to rigid caissons, the solution proposed in this paper is derived by introducing terms of shaft-tunnel and soil-tunnel interactions into equations originally developed for rigid caissons. The validity of the solution is examined by a validation model computed by finite element method. The mutual influence between the shaft and the tunnel is introduced. The soil-structure interactions are discussed parametrically based on the proposed equations. The shaft-tunnel relative displacement and the soil-tunnel relative stiffness are found to be the most important parameters affecting the magnitudes and distributions of the internal forces of the tunnel. A hinge-joint at the shaft-tunnel junction could significantly reduce the degree of stress concentration compared with a rigid joint.Keywords: analytical solution, longitudinal excitation, numerical validation , shaft-tunnel junction
Procedia PDF Downloads 1611968 Antiplasmodial Activity of Drimane Sesquiterpene Isolated from Warburgia salutaris
Authors: Mthokozisi Simelane
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Background: Malaria remains a life-threatening disease in tropical regions despite the advances in the treatment of this disease, it still remains a significant burden as some parasites have become resistant to the currently available drugs. This has created a necessity for the development of alternative, more efficient antimalarial drugs. Warburgia salutaris is a traditional medicinal plant used in malaria treatment by Zulu traditional healers. Materials and methods: The W. salutaris stem-bark was extracted with dichloromethane and the compound was isolated through column chromatography. The compound was identified and characterized by spectroscopic analysis (1H NMR, 13C NMR, IR and MS) and the structure was also confirmed by x-ray crystallography. The anti-plasmodial activity (in vitro) was studied on NF54 Plasmodium falciparum strain (CQS). Cytotoxicity was measured using the MTT assay on HEK239 and HEPG2 cell lines. Docking of Mukaadial acetate was conducted in AutoDock Vina. Structural modifications were conducted in UCSF Chimera and molecular interactions examined in LigPlot. Results: The compound, Mukaadial Acetate showed appreciable inhibition (IC50 0.44±0.10 µg/ml) of the parasite growth and cytotoxicity activity of 0.124±0.109 and 0.199±0.083 (µg/ml) on HEK293 and HEPG2 cells respectively. Molecular docking revealed that Mukaadial Acetate binds to the purine, pyrophosphate and ribose binding sites of the PfHGXPRT with an optimum binding conformation and forms hydrogen bond, steric and hydrophobic interactions with the residues inhabiting the respective binding sites. Conclusion: It is apparent that W. salutaris contains components (including Mukaadial Acetate) that exhibit antimalarial activity. This study scientifically validates the use of this plant in folk medicine.Keywords: plasmodium falciparum, molecular docking, antimalarial activity, PfHGXPRT, Warburgia salutaris, mukaadial acetate
Procedia PDF Downloads 1991967 Design, Synthesis and Pharmacological Investigation of Novel 2-Phenazinamine Derivatives as a Mutant BCR-ABL (T315I) Inhibitor
Authors: Gajanan M. Sonwane
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Nowadays, the entire pharmaceutical industry is facing the challenge of increasing efficiency and innovation. The major hurdles are the growing cost of research and development and a concurrent stagnating number of new chemical entities (NCEs). Hence, the challenge is to select the most druggable targets and to search the equivalent drug-like compounds, which also possess specific pharmacokinetic and toxicological properties that allow them to be developed as drugs. The present research work includes the studies of developing new anticancer heterocycles by using molecular modeling techniques. The heterocycles synthesized through such methodology are much effective as various physicochemical parameters have been already studied and the structure has been optimized for its best fit in the receptor. Hence, on the basis of the literature survey and considering the need to develop newer anticancer agents, new phenazinamine derivatives were designed by subjecting the nucleus to molecular modeling, viz., GQSAR analysis and docking studies. Simultaneously, these designed derivatives were subjected to in silico prediction of biological activity through PASS studies and then in silico toxicity risk assessment studies. In PASS studies, it was found that all the derivatives exhibited a good spectrum of biological activities confirming its anticancer potential. The toxicity risk assessment studies revealed that all the derivatives obey Lipinski’s rule. Amongst these series, compounds 4c, 5b and 6c were found to possess logP and drug-likeness values comparable with the standard Imatinib (used for anticancer activity studies) and also with the standard drug methotrexate (used for antimitotic activity studies). One of the most notable mutations is the threonine to isoleucine mutation at codon 315 (T315I), which is known to be resistant to all currently available TKI. Enzyme assay planned for confirmation of target selective activity.Keywords: drug design, tyrosine kinases, anticancer, Phenazinamine
Procedia PDF Downloads 1161966 Blueprinting of a Normalized Supply Chain Processes: Results in Implementing Normalized Software Systems
Authors: Bassam Istanbouli
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With the technology evolving every day and with the increase in global competition, industries are always under the pressure to be the best. They need to provide good quality products at competitive prices, when and how the customer wants them. In order to achieve this level of service, products and their respective supply chain processes need to be flexible and evolvable; otherwise changes will be extremely expensive, slow and with many combinatorial effects. Those combinatorial effects impact the whole organizational structure, from a management, financial, documentation, logistics and specially the information system Enterprise Requirement Planning (ERP) perspective. By applying the normalized system concept/theory to segments of the supply chain, we believe minimal effects, especially at the time of launching an organization global software project. The purpose of this paper is to point out that if an organization wants to develop a software from scratch or implement an existing ERP software for their business needs and if their business processes are normalized and modular then most probably this will yield to a normalized and modular software system that can be easily modified when the business evolves. Another important goal of this paper is to increase the awareness regarding the design of the business processes in a software implementation project. If the blueprints created are normalized then the software developers and configurators will use those modular blueprints to map them into modular software. This paper only prepares the ground for further studies; the above concept will be supported by going through the steps of developing, configuring and/or implementing a software system for an organization by using two methods: The Software Development Lifecycle method (SDLC) and the Accelerated SAP implementation method (ASAP). Both methods start with the customer requirements, then blue printing of its business processes and finally mapping those processes into a software system. Since those requirements and processes are the starting point of the implementation process, then normalizing those processes will end up in a normalizing software.Keywords: blueprint, ERP, modular, normalized
Procedia PDF Downloads 1391965 Synthesis and Anticancer Evaluation of Substituted 2-(3,4-Dimethoxyphenyl) Benzazoles
Authors: Cigdem Karaaslan, Yalcin Duydu, Aylin Ustundag, Can Ozgur Yalcın, Hakan Goker
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Benzazole nucleus is found in the structure of many compounds as anticancer agents. Bendamustine (Alkylating agent), Nocodazole (Mitotic inhibitor), Veliparib (PARP inhibitor), Glasdegib (SMO inhibitor) are clinically used as anticancer therapeutics which bearing benzimidazole moiety. Based on the principle of bioisosterism in the present work, 23 compounds belonging to 2-(3,4-dimethoxy-phenyl) benzazoles and imidazopyridine series were synthesized and evaluated for their anticancer activities. N-(5-Chloro-2-hydroxyphenyl)-3,4-dimethoxybenzamide, was obtained by the amidation of 2-hydroxy-5-chloroaniline with 3,4-dimethoxybenzoic acid by using 1,1'-carbonyldiimidazole. Cyclization of benzamide derivative to benzoxazole, was achieved by p-toluenesulfonic acid. Other 1H-benz (or pyrido) azoles were prepared by the reaction between 2-aminothiophenol, o-phenylenediamine, o-pyridinediamine with sodium metabisulfite adduct of 3,4-dimethoxybenzaldehyde. The NMR assignments of the dimethoxy groups were established by the Nuclear Overhauser Effect Spectroscopy. A compound named, 5(4),7(6)-Dichloro-2-(3,4-dimethoxy) phenyl-1H-benzimidazole, bearing two chlorine atoms at the 5(4) and 7(6) positions of the benzene moiety of benzimidazole was found the most potent analogue, against A549 cells with the GI50 value of 1.5 µg/mL. In addition, 2-(3,4-Dimethoxyphenyl)-5,6-dimethyl-1H-benzimi-dazole showed remarkable cell growth inhibition against MCF-7 and HeLa cells with the GI₅₀ values of 7 and 5.5 µg/mL, respectively. It could be concluded that introduction of di-chloro atoms at the phenyl ring of 2-(3,4-dimethoxyphenyl)-1H-benzimidazoles increase significant cytotoxicity to selected human tumor cell lines in comparison to other all benzazoles synthesized in this study. Unsubstituted 2-(3,4-dimethoxyphenyl) imidazopyridines also gave the good inhibitory profile against A549 and HeLa cells.Keywords: 3, 4-Dimethoxyphenyl, 1H-benzimidazole, benzazole, imidazopyridine
Procedia PDF Downloads 1221964 Review and Analysis of Sustainable-Based Risk Management in Humanitarian Supply Chains
Authors: Marinko Maslaric, Maja Jokic
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When searching for fast and long term responses, sustainable logistics and supply chain applications have developed irrefutable theories and hypotheses towards market requirements. Nevertheless, there are certain misunderstandings on how the implementation of sustainability principles (social, economical, and environmental) and concepts should work in practice, more specifically, within a humanitarian supply chain management context. This paper will focus on the review and analysis of risk management concepts in humanitarian supply chain in order to identify their compliance with sustainable principles. In this direction, the study will look for strategies that suggest: minimization of environmental impacts throughout the reduction of resources consumption, depreciation of logistics costs, including supply chain ones, minimization of transportation and service costs, elaboration of quality performance of supply chain and logistics, and reduction of supply chain delivery time. On the side of meeting all defense, trades and humanitarian logistics needs, the research will be aligned to UN Sustainable Development Goals, standards, and performances. It will start with relevant strategies for identification of risk indicators and it will end with suggestion of valuable strategic approaches for their minimization or total prevention. Finally, a content analysis will propose a suitable methodological structure for the creation of most sustainable strategy in risk management of humanitarian supply chain. Content analysis will accompany thorough, consistent and methodical approach of literature review for potential disaster risk management plan. Thereupon, the propositions of this research will look for contemporary literature gaps, with respect to operate the literature analysis and to suggest the appropriate sustained risk low master plan. The indicated is here to secure the high quality of logistics practices in hazardous events.Keywords: humanitarian logistics, sustainability, supply chain risk, risk management plan
Procedia PDF Downloads 2391963 New Platform of Biobased Aromatic Building Blocks for Polymers
Authors: Sylvain Caillol, Maxence Fache, Bernard Boutevin
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Recent years have witnessed an increasing demand on renewable resource-derived polymers owing to increasing environmental concern and restricted availability of petrochemical resources. Thus, a great deal of attention was paid to renewable resources-derived polymers and to thermosetting materials especially, since they are crosslinked polymers and thus cannot be recycled. Also, most of thermosetting materials contain aromatic monomers, able to confer high mechanical and thermal properties to the network. Therefore, the access to biobased, non-harmful, and available aromatic monomers is one of the main challenges of the years to come. Starting from phenols available in large volumes from renewable resources, our team designed platforms of chemicals usable for the synthesis of various polymers. One of these phenols, vanillin, which is readily available from lignin, was more specifically studied. Various aromatic building blocks bearing polymerizable functions were synthesized: epoxy, amine, acid, carbonate, alcohol etc. These vanillin-based monomers can potentially lead to numerous polymers. The example of epoxy thermosets was taken, as there is also the problematic of bisphenol A substitution for these polymers. Materials were prepared from the biobased epoxy monomers obtained from vanillin. Their thermo-mechanical properties were investigated and the effect of the monomer structure was discussed. The properties of the materials prepared were found to be comparable to the current industrial reference, indicating a potential replacement of petrosourced, bisphenol A-based epoxy thermosets by biosourced, vanillin-based ones. The tunability of the final properties was achieved through the choice of monomer and through a well-controlled oligomerization reaction of these monomers. This follows the same strategy than the one currently used in industry, which supports the potential of these vanillin-derived epoxy thermosets as substitutes of their petro-based counterparts.Keywords: lignin, vanillin, epoxy, amine, carbonate
Procedia PDF Downloads 2321962 Estimation of Soil Erosion Potential in Herat Province, Afghanistan
Authors: M. E. Razipoor, T. Masunaga, K. Sato, M. S. Saboory
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Estimation of soil erosion is economically and environmentally important in Herat, Afghanistan. Degradation of soil has negative impact (decreased soil fertility, destroyed soil structure, and consequently soil sealing and crusting) on life of Herat residents. Water and wind are the main erosive factors causing soil erosion in Herat. Furthermore, scarce vegetation cover, exacerbated by socioeconomic constraint, and steep slopes accelerate soil erosion. To sustain soil productivity and reduce soil erosion impact on human life, due to sustaining agricultural production and auditing the environment, it is needed to quantify the magnitude and extent of soil erosion in a spatial domain. Thus, this study aims to estimate soil loss potential and its spatial distribution in Herat, Afghanistan by applying RUSLE in GIS environment. The rainfall erosivity factor ranged between values of 125 and 612 (MJ mm ha-1 h-1 year-1). Soil erodibility factor varied from 0.036 to 0.073 (Mg h MJ-1 mm-1). Slope length and steepness factor (LS) values were between 0.03 and 31.4. The vegetation cover factor (C), derived from NDVI analysis of Landsat-8 OLI scenes, resulting in range of 0.03 to 1. Support practice factor (P) were assigned to a value of 1, since there is not significant mitigation practices in the study area. Soil erosion potential map was the product of these factors. Mean soil erosion rate of Herat Province was 29 Mg ha-1 year-1 that ranged from 0.024 Mg ha-1 year-1 in flat areas with dense vegetation cover to 778 Mg ha-1 year-1 in sharp slopes with high rainfall but least vegetation cover. Based on land cover map of Afghanistan, areas with soil loss rate higher than soil loss tolerance (8 Mg ha-1 year-1) occupies 98% of Forests, 81% rangelands, 64% barren lands, 60% rainfed lands, 28% urban area and 18% irrigated Lands.Keywords: Afghanistan, erosion, GIS, Herat, RUSLE
Procedia PDF Downloads 4341961 An Investigation into Slow ESL Reading Speed in Pakistani Students
Authors: Hina Javed
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This study investigated the different strategies used by Pakistani students learning English as a second language at secondary level school. The basic premise of the study is that ESL students face tremendous difficulty while they are reading a text in English. It also purports to dig into the different causes of their slow reading. They might range from word reading accuracy, mental translation, lexical density, cultural gaps, complex syntactic constructions, and back skipping. Sixty Grade 7 students from two secondary mainstream schools in Lahore were selected for the study, thirty being boys and thirty girls. They were administered reading-related and reading speed pre and post-tests. The purpose of the tests was to gauge their performance on different reading tasks so as to be able to see how they used strategies, if any, and also to ascertain the causes hampering their performance on those tests. In the pretests, they were given simple texts with considerable lexical density and moderately complex sentential layout. In the post-tests, the reading tasks contained comic strips, texts with visuals, texts with controlled vocabulary, and an evenly distributed varied range of simple, compound, and complex sentences. Both the tests were timed. The results gleaned through the data gathered corroborated the researchers’ basic hunch that they performed significantly better than pretests. The findings suggest that the morphological structure of words and lexical density are the main sources of reading comprehension difficulties in poor ESL readers. It is also confirmed that if the texts are accompanied by pictorial visuals, it greatly facilitates students’ reading speed and comprehension. There is no substantial evidence that ESL readers adopt any specific strategy while reading in English.Keywords: slow ESL reading speed, mental translation, complex syntactic constructions, back skipping
Procedia PDF Downloads 711960 Experimental Research on Neck Thinning Dynamics of Droplets in Cross Junction Microchannels
Authors: Yilin Ma, Zhaomiao Liu, Xiang Wang, Yan Pang
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Microscale droplets play an increasingly important role in various applications, including medical diagnostics, material synthesis, chemical engineering, and cell research due to features of high surface-to-volume ratio and tiny scale, which can significantly improve reaction rates, enhance heat transfer efficiency, enable high-throughput parallel studies as well as reduce reagent usage. As a mature technique to manipulate small amounts of liquids, droplet microfluidics could achieve the precise control of droplet parameters such as size, uniformity, structure, and thus has been widely adopted in the engineering and scientific research of multiple fields. Necking processes of the droplet in the cross junction microchannels are experimentally and theoretically investigated and dynamic mechanisms of the neck thinning in two different regimes are revealed. According to evolutions of the minimum neck width and the thinning rate, the necking process is further divided into different stages and the main driving force during each stage is confirmed. Effects of the flow rates and the cross-sectional aspect ratio on the necking process as well as the neck profile at different stages are provided in detail. The distinct features of the two regimes in the squeezing stage are well captured by the theoretical estimations of the effective flow rate and the variations of the actual flow rates in different channels are reasonably reflected by the channel width ratio. In the collapsing stage, the quantitative relation between the minimum neck width and the remaining time is constructed to identify the physical mechanism.Keywords: cross junction, neck thinning, force analysis, inertial mechanism
Procedia PDF Downloads 1101959 School as a Space of Power: A Foucauldian Critique
Authors: Yildirim Ortaoglan
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The attempt to make thought school-like by fitting it into various frameworks with the institutionalization of it is almost simultaneous with philosophy itself. What once sprouted in the “academia” of old has institutionalized under the enlightenment's light, becoming the fundamental space reflecting the spirit of its age. However, the shift from the thinking temple where truth's knowledge was sought to functional spaces where power/power relations are constructed indicates a significant rupture in the meaning of school. Therefore, a genealogical inquiry into the meaning of the school can provide us with a path toward understanding how it should be approached in contemporary times. From this perspective, it is essential to highlight how power/power relations operate in the school in terms of disciplinary practices, temporal management, and spatial organization to construct a distinct subjectivation. Recognizing that the changing and evolving nature of education is related to the structure of space can be understood by revealing how disciplinary power and bio-power, two fundamental aspects of genealogical research, operate. In disciplinary power, the relationship of the subject with discipline, temporal management, and space is about improvement and normalization, while in biopower, it manifests in maximizing utility, increasing free time, and constructing spaces that seem more vital. These indicators not only facilitate the formation of students as a subjectivation but also enable the condition of the possibility of power/power relations. Because power is not applied to subjects but used by them for passage, and behind this lies the idea that the individual is already one of the components of power. As one of the components of power, in terms of subjectivation type, the student is one of the primary targets of power relations. Therefore, conducting a genealogical inquiry of the student as a type of subjectivation and the school as its living area from the philosophical foundations of education may offer a new opportunity for thinking about the contemporary crisis of thought. Within the framework of this possibility, our investigation will consider which aspects of the school and the student, brought together for educational purposes, can be thought of within and beyond power/power relations.Keywords: power, education, space, school, student, discipline
Procedia PDF Downloads 581958 The Effect of Super-Plasticizer and Ultra-sonic Process on the Carbon Nano Tubes Dispersion in Combination with Nano Silica in Cement Composites to Enhance Its Mechanical Properties
Authors: M.S. El-Feky, Passant Youssef, Mohamed I. Serag
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nowadays, nanotechnology is the main trend of research in different areas due to the new potential of using nanometer materials sized less than 100nm. Nanomaterials are needed in cement composites to act as bridging for Nano and micro-cracks to increase tensile strength, reduce the permeability of gases and water in concrete to solve corrosion problem, react with excess Calcium Hydroxide, produce additional C-S-H, act as filler materials to densify the cement matrix and increase its mechanical properties. The present study focuses on the effectiveness of super-plasticizers and ultrasonic processing on the dispersion of Carbon Nanotube at first in water and then in cement composites in combination with Nano silica to enhance the mechanical properties of cement composites. A qualitative analysis using a compressive strength test is conducted with a view to investigate the influence of different dispersion techniques on the mechanical properties of cement composites containing Carbon Nanotube (CNT) and Nano Silica (NS) particles with different percentages. In addition, micro-structural analysis was carried out to understand the surface morphology and microstructure of cement composites with different dosages of NS addition. The investigational study results showed that the combination of NS with a low amount of CNT had a positive effect on the hydration reaction; on the other hand, the combination of CNT and a high amount of NS had a negative effect on the hydration reaction. The compressive strength can be improved by optimum combination 0.02% CNT and 1% NS with gain in strength by 72% and 35% after 7 and 28 days compared to control samples; these results were with an agreement with the morphology structure of composites using microstructure analysis.Keywords: nano silica, dispersion, sonication, carbon nano tubes
Procedia PDF Downloads 1461957 A Robust System for Foot Arch Type Classification from Static Foot Pressure Distribution Data Using Linear Discriminant Analysis
Authors: R. Periyasamy, Deepak Joshi, Sneh Anand
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Foot posture assessment is important to evaluate foot type, causing gait and postural defects in all age groups. Although different methods are used for classification of foot arch type in clinical/research examination, there is no clear approach for selecting the most appropriate measurement system. Therefore, the aim of this study was to develop a system for evaluation of foot type as clinical decision-making aids for diagnosis of flat and normal arch based on the Arch Index (AI) and foot pressure distribution parameter - Power Ratio (PR) data. The accuracy of the system was evaluated for 27 subjects with age ranging from 24 to 65 years. Foot area measurements (hind foot, mid foot, and forefoot) were acquired simultaneously from foot pressure intensity image using portable PedoPowerGraph system and analysis of the image in frequency domain to obtain foot pressure distribution parameter - PR data. From our results, we obtain 100% classification accuracy of normal and flat foot by using the linear discriminant analysis method. We observe there is no misclassification of foot types because of incorporating foot pressure distribution data instead of only arch index (AI). We found that the mid-foot pressure distribution ratio data and arch index (AI) value are well correlated to foot arch type based on visual analysis. Therefore, this paper suggests that the proposed system is accurate and easy to determine foot arch type from arch index (AI), as well as incorporating mid-foot pressure distribution ratio data instead of physical area of contact. Hence, such computational tool based system can help the clinicians for assessment of foot structure and cross-check their diagnosis of flat foot from mid-foot pressure distribution.Keywords: arch index, computational tool, static foot pressure intensity image, foot pressure distribution, linear discriminant analysis
Procedia PDF Downloads 4991956 In-Depth Analysis on Sequence Evolution and Molecular Interaction of Influenza Receptors (Hemagglutinin and Neuraminidase)
Authors: Dong Tran, Thanh Dac Van, Ly Le
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Hemagglutinin (HA) and Neuraminidase (NA) play an important role in host immune evasion across influenza virus evolution process. The correlation between HA and NA evolution in respect to epitopic evolution and drug interaction has yet to be investigated. In this study, combining of sequence to structure evolution and statistical analysis on epitopic/binding site specificity, we identified potential therapeutic features of HA and NA that show specific antibody binding site of HA and specific binding distribution within NA active site of current inhibitors. Our approach introduces the use of sequence variation and molecular interaction to provide an effective strategy in establishing experimental based distributed representations of protein-protein/ligand complexes. The most important advantage of our method is that it does not require complete dataset of complexes but rather directly inferring feature interaction from sequence variation and molecular interaction. Using correlated sequence analysis, we additionally identified co-evolved mutations associated with maintaining HA/NA structural and functional variability toward immunity and therapeutic treatment. Our investigation on the HA binding specificity revealed unique conserved stalk domain interacts with unique loop domain of universal antibodies (CR9114, CT149, CR8043, CR8020, F16v3, CR6261, F10). On the other hand, NA inhibitors (Oseltamivir, Zaninamivir, Laninamivir) showed specific conserved residue contribution and similar to that of NA substrate (sialic acid) which can be exploited for drug design. Our study provides an important insight into rational design and identification of novel therapeutics targeting universally recognized feature of influenza HA/NA.Keywords: influenza virus, hemagglutinin (HA), neuraminidase (NA), sequence evolution
Procedia PDF Downloads 1641955 Reservoir Characterization using Comparative Petrophysical Testing Approach Acquired with Facies Architecture Properties Analysis
Authors: Axel Priambodo, Dwiharso Nugroho
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Studies conducted to map the reservoir properties based on facies architecture in which to determine the distribution of the petrophysical properties and calculate hydrocarbon reserves in study interval. Facies Architecture analysis begins with stratigraphic correlation that indicates the area is divided into different system tracts. The analysis of distribution patterns and compiling core analysis with facies architecture model show that there are three estuarine facies appear. Formation evaluation begins with shale volume calculation using Asquith-Krygowski and Volan Triangle Method. Proceed to the calculation of the total and effective porosity using the Bateman-Konen and Volan Triangle Method. After getting the value of the porosity calculation was continued to determine the effective water saturation and non-effective by including parameters of water resistivity and resistivity clay. The results of the research show that the Facies Architecture on the field in divided into three main facies which are Estuarine Channel, Estuarine Sand Bar, and Tidal Flat. The petrophysics analysis are done by comparing different methods also shows that the Volan Triangle Method does not give a better result of the Volume Shale than the Gamma Ray Method, but on the other hand, the Volan Triangle Methode is better on calculating porosity compared to the Bateman-Konen Method. The effective porosity distributions are affected by the distribution of the facies. Estuarine Sand Bar has a low porosity number and Estuarine Channel has a higher number of the porosity. The effective water saturation is controlled by structure where on the closure zone the water saturation is lower than the area beneath it. It caused by the hydrocarbon accumulation on the closure zone.Keywords: petrophysics, geology, petroleum, reservoir
Procedia PDF Downloads 3291954 Effect of Thickness on Structural and Electrical Properties of CuAlS2 Thin Films Grown by Two Stage Vacuum Thermal Evaporation Technique
Authors: A. U. Moreh, M. Momoh, H. N. Yahya, B. Hamza, I. G. Saidu, S. Abdullahi
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This work studies the effect of thickness on structural and electrical properties of CuAlS2 thin films grown by two stage vacuum thermal evaporation technique. CuAlS2 thin films of thicknesses 50nm, 100nm and 200nm were deposited on suitably cleaned corning 7059 glass substrate at room temperature (RT). In the first stage Cu-Al precursors were grown at room temperature by thermal evaporation and in the second stage Cu-Al precursors were converted to CuAlS2 thin films by sulfurisation under sulfur atmosphere at the temperature of 673K. The structural properties of the films were examined by X-ray diffraction (XRD) technique while electrical properties of the specimens were studied using four point probe method. The XRD studies revealed that the films are of crystalline in nature having tetragonal structure. The variations of the micro-structural parameters, such as crystallite size (D), dislocation density ( ), and micro-strain ( ), with film thickness were investigated. The results showed that the crystallite sizes increase as the thickness of the film increases. The dislocation density and micro-strain decreases as the thickness increases. The resistivity ( ) of CuAlS2 film is found to decrease with increase in film thickness, which is related to the increase of carrier concentration with film thickness. Thus thicker films exhibit the lowest resistivity and high carrier concentration, implying these are the most conductive films. Low electrical resistivity and high carrier concentration are widely used as the essential components in various optoelectronic devices such as light-emitting diode and photovoltaic cells.Keywords: CuAlS2, evaporation, sulfurisation, thickness, resistivity, crystalline
Procedia PDF Downloads 4831953 Gender Roles in Modern Indian Marriages
Authors: Parul Bhandari
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An image of a modern and progressive India garners the rhetoric of ‘choice’ marriages, gender egalitarian relationships, and search for ‘love’ in conjugal unions. Such an image especially resonates with the lives of young professionals, who, largely belonging to the middle class, consider themselves to be the global face India. While this rhetoric of ‘progress’ and ‘love’ is abounding in both Indian and non-Indian public discourses, it is imperative to scientifically analyse the veracity of these claims. This paper thus queries and problematises the notions of being modern and progressive, through the lens of gender roles as expected and desired in a process of matchmaking. The fieldwork conducted is based on qualitative methodology, involving in-depth interviews with 100 highly qualified professionals, (60 men and 40 women), between the age of 24-31, belonging to the Hindu religion and of varied castes and communities, who are residing in New Delhi, and are in the process of spouse-selection or have recently completed it. Further, an analysis of the structure and content of matrimonial websites, which have fast emerged as the new method of matchmaking, was also undertaken. The main finding of this paper is that gender asymmetries continue to determine a suitable match, whether in ‘arranged’ or ‘love’ marriages. This is demonstrated by analysing the expectations of gender roles and gender practices of both men and women, to construct an ideal of a ‘good match’. On the basis of the interviews and the content of matrimonial websites, the paper discusses the characteristics of a ‘suitable boy’ and a ‘suitable girl’, and the ways in which these are received (practiced or criticised) by the young men and women themselves. It is then concluded that though an ideal of ‘compatibility’ and love determines conjugal desires, traditional gender roles, that, for example, consider men as the primary breadwinner and women as responsible for the domestic sphere, continue to dictate urban Indian marriages.Keywords: gender, India, marriage, middle class
Procedia PDF Downloads 2701952 Exploring Elder Care in Different Settings in West Bengal: A Psycho-Social Study of Private Homes, Hospitals and Long-Term Care Facilities
Authors: Tulika Bhattacharyya, Suhita C. Chatterjee
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West Bengal, one of the most rapidly ageing states in India, has inadequate structure for elder care. Therefore, there is an urgent need to improve elder care which involves focusing on different care settings where the elderly exists, like - Homes, Hospitals and Long-Term Care facilities (e.g. - Old Age Homes, Hospices). The study explores various elder care settings, with the intention to develop an understanding about them, and thereby generate comprehensive information about the entire spectrum of elder care in Kolkata. Empirical data are collected from the elderly and their caregivers in different settings. The tools for data collection are narratives, in-depth interviews and focus group discussions, along with field observations. Mixed method design is adopted to analyze the complexities of elder care in different set ups. The major challenges of elder care in private Homes are: architecturally inadequate housing conditions, paucity of financial support and scarcity of skilled caregivers. While the key factors preventing the Hospital and Long-Term Care Facilities from providing elder care services are inadequate policies and set governmental standards for elder care for the hospitalized elderly in various departments of the Hospital and the elderly residing in different kinds of Long Term Care Facilities. The limitations in each care setting results in considerable neglect and abuse of the elderly. The major challenges in elder care in West Bengal are lack of continuum between different care settings/ peripheral location of private Homes within public health framework and inadequate state Palliative policy- including narcotic regulations. The study suggests remedial measures to improve the capacity to deliver elder care in different settings.Keywords: elder care settings, family caregiver, home care, geriatric hospital care, long term care facility
Procedia PDF Downloads 2871951 Layer-By-Layer Deposition of Poly(Ethylene Imine) Nanolayers on Polypropylene Nonwoven Fabric: Electrostatic and Thermal Properties
Authors: Dawid Stawski, Silviya Halacheva, Dorota Zielińska
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The surface properties of many materials can be readily and predictably modified by the controlled deposition of thin layers containing appropriate functional groups and this research area is now a subject of widespread interest. The layer-by-layer (lbl) method involves depositing oppositely charged layers of polyelectrolytes onto the substrate material which are stabilized due to strong electrostatic forces between adjacent layers. This type of modification affords products that combine the properties of the original material with the superficial parameters of the new external layers. Through an appropriate selection of the deposited layers, the surface properties can be precisely controlled and readily adjusted in order to meet the requirements of the intended application. In the presented paper a variety of anionic (poly(acrylic acid)) and cationic (linear poly(ethylene imine), polymers were successfully deposited onto the polypropylene nonwoven using the lbl technique. The chemical structure of the surface before and after modification was confirmed by reflectance FTIR spectroscopy, volumetric analysis and selective dyeing tests. As a direct result of this work, new materials with greatly improved properties have been produced. For example, following a modification process significant changes in the electrostatic activity of a range of novel nanocomposite materials were observed. The deposition of polyelectrolyte nanolayers was found to strongly accelerate the loss of electrostatically generated charges and to increase considerably the thermal resistance properties of the modified fabric (the difference in T50% is over 20°C). From our results, a clear relationship between the type of polyelectrolyte layer deposited onto the flat fabric surface and the properties of the modified fabric was identified.Keywords: layer-by-layer technique, polypropylene nonwoven, surface modification, surface properties
Procedia PDF Downloads 4351950 Teaching English to Rural Students: A Case Study of a Select Batch at SSN College of Engineering, Chennai
Authors: Martha Karunakar
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There exists a wide divide between the urban and the rural students in a vast country like India. This dichotomy is seen in the resources available to them, like the learning facilities, the infra-structure, the learning ambience and meeting of their basic needs of food, clothing and shelter. This paper discusses the effect of English language teaching as a Bridge course on a select batch of rural students at an Engineering college in Chennai, one of the four Metros of India. The study aims to understand how the teacher input and the teacher- peer-student interaction facilitates the acquisition of the basic structures of the English language to a group that is minimally exposed to the language. The objective in conducting the Bridge Course is to integrate these rural students into the mainstream and empower them in terms of English speaking ability; to enable them to comprehend their respective engineering classes where the medium of instruction is English and also to be able to interact with their urban peers. This program is conducted prior to the start of a regular academic session to equip them face the rigors of engineering education. The study is placed within the framework of Interaction theory in second language acquisition. The study evaluates the impact of linking theory and practice by implementing meaningful interaction not only within classrooms but also in the common areas. By providing intensive comprehensible input, it is anticipated that participant’s level of English language improves. The teaching methods and classroom activities included individual and group participation, encompassing all the four skills of listening, speaking, reading and writing (LSRW). The diagnostic tests that were administered before the commencement of the course and the exit test after the completion were used to record the impact of the training.Keywords: comprehensible input, interaction, rural students, teaching English
Procedia PDF Downloads 3821949 Biophysical Study of the Interaction of Harmalol with Nucleic Acids of Different Motifs: Spectroscopic and Calorimetric Approaches
Authors: Kakali Bhadra
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Binding of small molecules to DNA and recently to RNA, continues to attract considerable attention for developing effective therapeutic agents for control of gene expression. This work focuses towards understanding interaction of harmalol, a dihydro beta-carboline alkaloid, with different nucleic acid motifs viz. double stranded CT DNA, single stranded A-form poly(A), double-stranded A-form of poly(C)·poly(G) and clover leaf tRNAphe by different spectroscopic, calorimetric and molecular modeling techniques. Results of this study converge to suggest that (i) binding constant varied in the order of CT DNA > poly(C)·poly(G) > tRNAphe > poly(A), (ii) non-cooperative binding of harmalol to poly(C)·poly(G) and poly(A) and cooperative binding with CT DNA and tRNAphe, (iii) significant structural changes of CT DNA, poly(C)·poly(G) and tRNAphe with concomitant induction of optical activity in the bound achiral alkaloid molecules, while with poly(A) no intrinsic CD perturbation was observed, (iv) the binding was predominantly exothermic, enthalpy driven, entropy favoured with CT DNA and poly(C)·poly(G) while it was entropy driven with tRNAphe and poly(A), (v) a hydrophobic contribution and comparatively large role of non-polyelectrolytic forces to Gibbs energy changes with CT DNA, poly(C)·poly(G) and tRNAphe, and (vi) intercalated state of harmalol with CT DNA and poly(C)·poly(G) structure as revealed from molecular docking and supported by the viscometric data. Furthermore, with competition dialysis assay it was shown that harmalol prefers hetero GC sequences. All these findings unequivocally pointed out that harmalol prefers binding with ds CT DNA followed by ds poly(C)·poly(G), clover leaf tRNAphe and least with ss poly(A). The results highlight the importance of structural elements in these natural beta-carboline alkaloids in stabilizing different DNA and RNA of various motifs for developing nucleic acid based better therapeutic agents.Keywords: calorimetry, docking, DNA/RNA-alkaloid interaction, harmalol, spectroscopy
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