Search results for: proton charge assembly
1076 Synthesis, Characterization, and Biological Evaluation of 1,3,4-Mercaptooxadiazole Ether Derivatives Analogs as Antioxidant, Cytotoxic, and Molecular Docking Studies
Authors: Desta Gebretekle Shiferaw, Balakrishna Kalluraya
Abstract:
Oxadiazoles and their derivatives with thioether functionalities represent a new and exciting class of physiologically active heterocyclic compounds. Several molecules with these moieties play a vital role in pharmaceuticals because of their diverse biological activities. This paper describes a new class of 1,3,4- oxadiazole-2-thioethers with acetophenone, coumarin, and N-phenyl acetamide residues (S-alkylation), with the hope that the addition of various biologically active molecules will have a synergistic effect on anticancer activity. The structure of the synthesized title compounds was determined by the combined methods of IR, proton-NMR, carbon-13-NMR, and mass spectrometry. Further, all the newly prepared molecules were assessed against their antioxidant activity. Furthermore, four compounds were assessed for their molecular docking interactions and cytotoxicity activity. The synthesized derivatives have shown moderate antioxidant activity compared to the standard BHA. The IC50 of the tilted molecules (11b, 11c, 13b, and 14b) observed for in vitro anti-cancer activities were 11.20, 15.73, 59.61, and 27.66 g/ml at 72-hour treatment time against the A549 cell lines, respectively. The tested compounds' biological evaluation showed that 11b is the most effective molecule in the series.Keywords: antioxidant activity, cytotoxicity activity, molecular docking, 1, 3, 4-Oxadiazole-2 thioether derivatives
Procedia PDF Downloads 891075 Optimal Resource Configuration and Allocation Planning Problem for Bottleneck Machines and Auxiliary Tools
Authors: Yin-Yann Chen, Tzu-Ling Chen
Abstract:
This study presents the case of an actual Taiwanese semiconductor assembly and testing manufacturer. Three major bottleneck manufacturing processes, namely, die bond, wire bond, and molding, are analyzed to determine how to use finite resources to achieve the optimal capacity allocation. A medium-term capacity allocation planning model is developed by considering the optimal total profit to satisfy the promised volume demanded by customers and to obtain the best migration decision among production lines for machines and tools. Finally, sensitivity analysis based on the actual case is provided to explore the effect of various parameter levels.Keywords: capacity planning, capacity allocation, machine migration, resource configuration
Procedia PDF Downloads 4611074 Analysis Of Magnetic Anomaly Data For Identification Subsurface Structure Geothermal Manifestations Area Candi Umbul, Grabag, Magelang, Central Java Province, Indonesia
Authors: Ikawati Wulandari
Abstract:
Acquisition of geomagnetic field has been done at Geothermal manifestation Candi Umbul, Grabag, Magelang, Central Java Province on 10-12 May 2013. The purpose of this research to study sub-surface structure condition and the structure which control the hot springs manifestation. The research area have size of 1,5 km x 2 km and measurement spacing of 150 m. Total magnetic field data, the position, and the north pole direction have acquired by Proton Precession Magnetometer (PPM), Global Positioning System (GPS), and of geology compass, respectively. The raw data has been processed and performed using IGRF (International Geomagnetics Reference Field) correction to obtain total field magnetic anomaly. Upward continuation was performed at 100 meters height using software Magpick. Analysis conclude horizontal position of the body causing anomaly which is located at hot springs manifestation, and it stretch along Northeast - Southwest, which later interpreted as normal fault. This hotsprings manifestation was controlled by the downward fault which becomes a weak zone where hot water from underground the geothermal reservoir leakageKeywords: PPM, Geothermal, Fault, Grabag
Procedia PDF Downloads 4651073 A Fourier Method for Risk Quantification and Allocation of Credit Portfolios
Authors: Xiaoyu Shen, Fang Fang, Chujun Qiu
Abstract:
Herewith we present a Fourier method for credit risk quantification and allocation in the factor-copula model framework. The key insight is that, compared to directly computing the cumulative distribution function of the portfolio loss via Monte Carlo simulation, it is, in fact, more efficient to calculate the transformation of the distribution function in the Fourier domain instead and inverting back to the real domain can be done in just one step and semi-analytically, thanks to the popular COS method (with some adjustments). We also show that the Euler risk allocation problem can be solved in the same way since it can be transformed into the problem of evaluating a conditional cumulative distribution function. Once the conditional or unconditional cumulative distribution function is known, one can easily calculate various risk metrics. The proposed method not only fills the niche in literature, to the best of our knowledge, of accurate numerical methods for risk allocation but may also serve as a much faster alternative to the Monte Carlo simulation method for risk quantification in general. It can cope with various factor-copula model choices, which we demonstrate via examples of a two-factor Gaussian copula and a two-factor Gaussian-t hybrid copula. The fast error convergence is proved mathematically and then verified by numerical experiments, in which Value-at-Risk, Expected Shortfall, and conditional Expected Shortfall are taken as examples of commonly used risk metrics. The calculation speed and accuracy are tested to be significantly superior to the MC simulation for real-sized portfolios. The computational complexity is, by design, primarily driven by the number of factors instead of the number of obligors, as in the case of Monte Carlo simulation. The limitation of this method lies in the "curse of dimension" that is intrinsic to multi-dimensional numerical integration, which, however, can be relaxed with the help of dimension reduction techniques and/or parallel computing, as we will demonstrate in a separate paper. The potential application of this method has a wide range: from credit derivatives pricing to economic capital calculation of the banking book, default risk charge and incremental risk charge computation of the trading book, and even to other risk types than credit risk.Keywords: credit portfolio, risk allocation, factor copula model, the COS method, Fourier method
Procedia PDF Downloads 1661072 Stretchable and Flexible Thermoelectric Polymer Composites for Self-Powered Volatile Organic Compound Vapors Detection
Authors: Petr Slobodian, Pavel Riha, Jiri Matyas, Robert Olejnik, Nuri Karakurt
Abstract:
Thermoelectric devices generate an electrical current when there is a temperature gradient between the hot and cold junctions of two dissimilar conductive materials typically n-type and p-type semiconductors. Consequently, also the polymeric semiconductors composed of polymeric matrix filled by different forms of carbon nanotubes with proper structural hierarchy can have thermoelectric properties which temperature difference transfer into electricity. In spite of lower thermoelectric efficiency of polymeric thermoelectrics in terms of the figure of merit, the properties as stretchability, flexibility, lightweight, low thermal conductivity, easy processing, and low manufacturing cost are advantages in many technological and ecological applications. Polyethylene-octene copolymer based highly elastic composites filled with multi-walled carbon nanotubes (MWCTs) were prepared by sonication of nanotube dispersion in a copolymer solution followed by their precipitation pouring into non-solvent. The electronic properties of MWCNTs were moderated by different treatment techniques such as chemical oxidation, decoration by Ag clusters or addition of low molecular dopants. In this concept, for example, the amounts of oxygenated functional groups attached on MWCNT surface by HNO₃ oxidation increase p-type charge carriers. p-type of charge carriers can be further increased by doping with molecules of triphenylphosphine. For partial altering p-type MWCNTs into less p-type ones, Ag nanoparticles were deposited on MWCNT surface and then doped with 7,7,8,8-tetracyanoquino-dimethane. Both types of MWCNTs with the highest difference in generated thermoelectric power were combined to manufacture polymeric based thermoelectric module generating thermoelectric voltage when the temperature difference is applied between hot and cold ends of the module. Moreover, it was found that the generated voltage by the thermoelectric module at constant temperature gradient was significantly affected when exposed to vapors of different volatile organic compounds representing then a self-powered thermoelectric sensor for chemical vapor detection.Keywords: carbon nanotubes, polymer composites, thermoelectric materials, self-powered gas sensor
Procedia PDF Downloads 1531071 Neuron-Based Control Mechanisms for a Robotic Arm and Hand
Authors: Nishant Singh, Christian Huyck, Vaibhav Gandhi, Alexander Jones
Abstract:
A robotic arm and hand controlled by simulated neurons is presented. The robot makes use of a biological neuron simulator using a point neural model. The neurons and synapses are organised to create a finite state automaton including neural inputs from sensors, and outputs to effectors. The robot performs a simple pick-and-place task. This work is a proof of concept study for a longer term approach. It is hoped that further work will lead to more effective and flexible robots. As another benefit, it is hoped that further work will also lead to a better understanding of human and other animal neural processing, particularly for physical motion. This is a multidisciplinary approach combining cognitive neuroscience, robotics, and psychology.Keywords: cell assembly, force sensitive resistor, robot, spiking neuron
Procedia PDF Downloads 3491070 Nonuniformity of the Piston Motion in a Radial Aircraft Engine
Authors: K. Pietrykowski, M. Bialy, M. Duk
Abstract:
One of the main disadvantages of radial engines is non-uniformity of operating cycles of each cylinder. This paper discusses the results of the kinematic analysis of pistons motion of the ASz-62IR radial engine. The ASz-62IR engine is produced in Poland and mounted in the M-18 Dromader and the An-2. The results are shown as the courses of the motion of the pistons. The discrepancies in the courses for individual pistons can result in different masses of the charge to fill the cylinders. Besides, pistons acceleration of individual cylinders is different, which triggers an additional vibration in the engine.Keywords: nonuniformity, kinematic analysis, piston motion, radial engine
Procedia PDF Downloads 3851069 Understanding Magnetic Properties of Cd1-xSnxCr2Se4 Using Local Structure Probes
Authors: P. Suchismita Behera, V. G. Sathe, A. K. Nigam, P. A. Bhobe
Abstract:
Co-existence of long-range ferromagnetism and semi-conductivity with correlated behavior of structural, magnetic, optical and electrical properties in various sites doping at CdCr2Se4 makes it a most promising candidate for spin-based electronic applications and magnetic devices. It orders ferromagnetically below TC = 130 K with a direct band gap of ~ 1.5 eV. The magnetic ordering is believed to result from strong competition between the direct antiferromagnetic Cr-Cr spin couplings and the ferromagnetic Cr-Se-Cr exchange interactions. With an aim of understanding the influence of crystal structure on its magnetic properties without disturbing the magnetic site, we investigated four compositions with 3%, 5%, 7% and 10% of Sn-substitution at Cd-site. Partial substitution of Cd2+ (0.78Å) by small sized nonmagnetic ion, Sn4+ (0.55Å), is expected to bring about local lattice distortion as well as a change in electronic charge distribution. The structural disorder would affect the Cd/Sn – Se bonds thus affecting the Cr-Cr and Cr-Se-Cr bonds. Whereas, the charge imbalance created due to Sn4+ substitution at Cd2+ leads to the possibility of Cr mixed valence state. Our investigation of the local crystal structure using the EXAFS, Raman spectroscopy and magnetic properties using SQUID magnetometry of the Cd1-xSnxCr2Se4 series reflects this premise. All compositions maintain the Fd3m cubic symmetry with tetrahedral distribution of Sn at Cd-site, as confirmed by XRD analysis. Lattice parameters were determined from the Rietveld refinement technique of the XRD data and further confirmed from the EXAFS spectra recorded at Cr K-edge. Presence of five Raman-active phonon vibrational modes viz. (T2g (1), T2g (2), T2g (3), Eg, A1g) in the Raman spectra further confirms the crystal symmetry. Temperature dependence of the Raman data provides interesting insight to the spin– phonon coupling, known to dominate the magneto-capacitive properties in the parent compound. Below the magnetic ordering temperature, the longitudinal damping of Eg mode associated with Se-Cd/Sn-Se bending and T2g (2) mode associated to Cr-Se-Cr interaction, show interesting deviations with respect to increase in Sn substitution. Besides providing the estimate of TC, the magnetic measurements recorded as a function of field provide the values of total magnetic moment for all the studied compositions indicative of formation of multiple Cr valences.Keywords: exchange interactions, EXAFS, ferromagnetism, Raman spectroscopy, spinel chalcogenides
Procedia PDF Downloads 2761068 The Environmental Impact of Wireless Technologies in Nigeria: An Overview of the IoT and 5G Network
Authors: Powei Happiness Kerry
Abstract:
Introducing wireless technologies in Nigeria have improved the quality of lives of Nigerians, however, not everyone sees it in that light. The paper on the environmental impact of wireless technologies in Nigeria summarizes the scholarly views on the impact of wireless technologies on the environment, beaming its searchlight on 5G and internet of things in Nigeria while also exploring the theory of the Technology Acceptance Model (TAM). The study used a qualitative research method to gather important data from relevant sources and contextually draws inference from the derived data. The study concludes that the Federal Government of Nigeria, before agreeing to any latest development in the world of wireless technologies, should weigh the implications and deliberate extensively with all stalk holders putting into consideration the confirmation it will receive from the National Assembly.Keywords: Internet of Things, radiofrequency, electromagnetic radiation, information and communications technology, ICT, 5G
Procedia PDF Downloads 1341067 The Regulation on Human Exposure to Electromagnetic Fields for Brazilian Power System
Authors: Hugo Manoel Olivera Da Silva, Ricardo Silva Thé Pontes
Abstract:
In this work, is presented an analysis of the Brazilian regulation on human exposure to electromagnetic fields, which provides limits to electric fields, magnetic and electromagnetic fields. The regulations for the electricity sector was in charge of the Agência Nacional de Energia Elétrica-ANEEL, the Brazilian Electricity Regulatory Agency, that made it through the Normative Resolution Nº 398/2010, resulting in a series of obligations for the agents of the electricity sector, especially in the areas of generation, transmission, and distribution.Keywords: adverse effects, electric energy, electric and magnetic fields, human health, regulation
Procedia PDF Downloads 6071066 Behavior of the Foundation of Bridge Reinforced by Rigid and Flexible Inclusions
Authors: T. Karech A. Noui, T. Bouzid
Abstract:
This article presents a comparative study by numerical analysis of the behavior of reinforcements of clayey soils by flexible columns (stone columns) and rigid columns (piles). The numerical simulation was carried out in 3D for an assembly of foundation, columns and a pile of a bridge. Particular attention has been paid to take into account the installation of the columns. Indeed, in practice, due to the compaction of the column, the soil around it sustains a lateral expansion and the horizontal stresses are increased. This lateral expansion of the column can be simulated numerically. This work represents a comparative study of the interaction between the soil on one side, and the two types of reinforcement on the other side, and their influence on the behavior of the soil and of the pile of a bridge.Keywords: piles, stone columns, interaction, foundation, settlement, consolidation
Procedia PDF Downloads 2771065 Solutions for Quality Pre-Control of Crimp Contacts
Authors: C. F. Ocoleanu, G. Cividjian, Gh. Manolea
Abstract:
In this paper, we present two solutions for connections quality pre-control of Crimp Contacts and to identify in the first moments the connections improperly executed, before final assembly of a electrical machines. The first solution supposed experimental determination of specific losses by calculated the initial rate of temperature rise. This can be made drawing the tangent at the origin at heating curve. The method can be used to identify bad connections by passing a current through the winding at ambient temperature and simultaneously record connections temperatures in the first few minutes since the current is setting. The second proposed solution is to apply to each element crimping a thermal indicator one level, and making a test heating with a heating current corresponding to critical temperature indicator.Keywords: temperature, crimp contact, thermal indicator, current distribution, specific losses
Procedia PDF Downloads 4221064 Energy Storage Modelling for Power System Reliability and Environmental Compliance
Authors: Rajesh Karki, Safal Bhattarai, Saket Adhikari
Abstract:
Reliable and economic operation of power systems are becoming extremely challenging with large scale integration of renewable energy sources due to the intermittency and uncertainty associated with renewable power generation. It is, therefore, important to make a quantitative risk assessment and explore the potential resources to mitigate such risks. Probabilistic models for different energy storage systems (ESS), such as the flywheel energy storage system (FESS) and the compressed air energy storage (CAES) incorporating specific charge/discharge performance and failure characteristics suitable for probabilistic risk assessment in power system operation and planning are presented in this paper. The proposed methodology used in FESS modelling offers flexibility to accommodate different configurations of plant topology. It is perceived that CAES has a high potential for grid-scale application, and a hybrid approach is proposed, which embeds a Monte-Carlo simulation (MCS) method in an analytical technique to develop a suitable reliability model of the CAES. The proposed ESS models are applied to a test system to investigate the economic and reliability benefits of the energy storage technologies in system operation and planning, as well as to assess their contributions in facilitating wind integration during different operating scenarios. A comparative study considering various storage system topologies are also presented. The impacts of failure rates of the critical components of ESS on the expected state of charge (SOC) and the performance of the different types of ESS during operation are illustrated with selected studies on the test system. The paper also applies the proposed models on the test system to investigate the economic and reliability benefits of the different ESS technologies and to evaluate their contributions in facilitating wind integration during different operating scenarios and system configurations. The conclusions drawn from the study results provide valuable information to help policymakers, system planners, and operators in arriving at effective and efficient policies, investment decisions, and operating strategies for planning and operation of power systems with large penetrations of renewable energy sources.Keywords: flywheel energy storage, compressed air energy storage, power system reliability, renewable energy, system planning, system operation
Procedia PDF Downloads 1301063 High Frequency Sonochemistry: A New Field of Cavitation‐Free Acoustic Materials Synthesis and Manipulation
Authors: Amgad Rezk, Heba Ahmed, Leslie Yeo
Abstract:
Ultrasound presents a powerful means for material synthesis. In this talk, we showcase a new field demonstrating the possibility for harnessing sound energy sources at considerably higher frequencies (10 MHz to 1 GHz) compared to conventional ultrasound (kHz and up to ~2 MHz) for crystalising and manipulating a variety of nanoscale materials. At these frequencies, cavitation—which underpins most sonochemical processes—is largely absent, suggesting that altogether fundamentally different mechanisms are at dominant. Examples include the crystallization of highly oriented structures, quasi-2D metal-organic frameworks and nanocomposites. These fascinating examples reveal how the highly nonlinear electromechanical coupling associated with high-frequency surface vibration gives rise to molecular ordering and assembly on the nano and microscale.Keywords: high-frequency acoustics, microfluidics, crystallisation, composite nanomaterials
Procedia PDF Downloads 1211062 Purification and Characterization of Phycoerythrin from a Mesophilic Cyanobacterium Nostoc piscinale PUPCCC 405.17
Authors: Sandeep Kaur
Abstract:
Phycoerythrin (PE) from the mesophilic filamentous cyanobacterium Nostoc piscinale PUPCCC 405.17, a good producer of phycobiliproteins, has been characterized in terms of their unit assembly and stability. The phycoerythrin was extracted by freeze-thawing the cells in water, concentrated by ammonium sulphate fractionation and purified by anion exchange chromatography. The purification process resulted in 2.90 fold increase in phycoerythrin purity reaching to 1.54. Sodium Dodecyl Sulphate- Polyacrylamide Gel Electrophoresis of purified PE demonstrated three protein bands of 14.3, 27.54 and 39.81 kDa. The native PE also showed one band of 125.87 kDa, assumed to be a dimer (αβ)2γ based on results of non-denaturing PAGE. Lyophilized powder PE was more stable compared to phycoerythrin in the solution. The half-life of dry PE is 80 days when stored at 4 °C under dark. The phycoerythrin from this organism has potential applications in food as natural colour and as a fluorescent marker.Keywords: characterization, Nostoc piscinale, phycoerythrin, purification
Procedia PDF Downloads 1401061 Polymer Nanocarrier for Rheumatoid Arthritis Therapy
Authors: Vijayakameswara Rao Neralla, Jueun Jeon, Jae Hyung Park
Abstract:
To develop a potential nanocarrier for diagnosis and treatment of rheumatoid arthritis (RA), we prepared a hyaluronic acid (HA)-5β-cholanic acid (CA) conjugate with an acid-labile ketal linker. This conjugate could self-assemble in aqueous conditions to produce pH-responsive HA-CA nanoparticles as potential carriers of the anti-inflammatory drug methotrexate (MTX). MTX was rapidly released from nanoparticles under inflamed synovial tissue in RA. In vitro cytotoxicity data showed that pH-responsive HA-CA nanoparticles were non-toxic to RAW 264.7 cells. In vivo biodistribution results confirmed that, after their systemic administration, pH-responsive HA-CA nanoparticles selectively accumulated in the inflamed joints of collagen-induced arthritis mice. These results indicate that pH-responsive HA-CA nanoparticles represent a promising candidate as a drug carrier for RA therapy.Keywords: rheumatoid arthritis, hyaluronic acid, nanocarrier, self-assembly, MTX
Procedia PDF Downloads 2891060 Half-Metallicity in a BiFeO3/La2/3Sr1/3MnO3 Superlattice: A First-Principles Study
Authors: Jiwuer Jilili, Ulrich Eckern, Udo Schwingenschlogl
Abstract:
We present first principles results for the electronic, magnetic, and optical properties of the BiFeO3 /La2/3Sr1/3MnO3 heterostructure as obtained by spin polarized calculations using density functional theory. The electronic states of the heterostructure are compared to those of the bulk compounds. Structural relaxation turns out to have only a minor impact on the chemical bonding, even though the oxygen octahedra in La2/3Sr1/3MnO3 develop some distortions due to the interface strain. While a small charge transfer affects the heterointerfaces, our results demonstrate that the half-metallic character of La2/3Sr1/3MnO3 is fully maintained.Keywords: BiFeO3, La2/3Sr1/3MnO3, superlattice, half-metallicity
Procedia PDF Downloads 2751059 Nascent Federalism in Nepal: An Observational Review in its Evolution
Authors: C. Shekhar Parajulee
Abstract:
Nepal practiced a centralized unitary governing system for a long and has gone through the federal system after the promulgation of the new constitution on 20 September 2015. There is a big paradigm shift in terms of governance after it. Now, there are three levels of governments, one federal government in the center, seven provincial governments and 753 local governments. Federalism refers to a political governing system with multiple tiers of government working together with coordination. It is preferred for self and shared rule. Though it has opened the door for rights of the people, political stability, state restructuring, and sustainable peace and development, there are many prospects and challenges for its proper implementation. This research analyzes the discourses of federalism implementation in Nepal with special reference to one of seven provinces, Gandaki. Federalism is a new phenomenon in Nepali politics and informed debates on it are required for its right evolution. This research will add value in this regard. Moreover, tracking its evolution and the exploration of the attitudes and behaviors of key actors and stakeholders in a new experiment of a new governing system is also important. The administrative and political system of Gandaki province in terms of service delivery and development will critically be examined. Besides demonstrating the performances of the provincial government and assembly, it will analyze the inter-governmental relation of Gandaki with the other two tiers of government. For this research, people from provincial and local governments (elected representatives and government employees), provincial assembly members, academicians, civil society leaders and journalists are being interviewed. The interview findings will be analyzed by supplementing with published documents. Just going into the federal structure is not the solution. As in the case of other provincial governments, Gandaki had also to start from scratch. It gradually took a shape of government and has been functioning sluggishly. The provincial government has many challenges ahead, which has badly hindered its plans and actions. Additionally, fundamental laws, infrastructures and human resources are found to be insufficient at the sub-national level. Lack of clarity in the jurisdiction is another main challenge. The Nepali Constitution assumes cooperation, coexistence and coordination as the fundamental principles of federalism which, unfortunately, appear to be lacking among the three tiers of government despite their efforts. Though the devolution of power to sub-national governments is essential for the successful implementation of federalism, it has apparently been delayed due to the centralized mentality of bureaucracy as well as a political leader. This research will highlight the reasons for the delay in the implementation of federalism. There might be multiple underlying reasons for the slow pace of implementation of federalism and identifying them is very tough. Moreover, the federal spirit is found to be absent in the main players of today's political system, which is a big irony. So, there are some doubts about whether the federal system in Nepal is just a keepsake or a substantive.Keywords: federalism, inter-governmental relations, Nepal, provincial government
Procedia PDF Downloads 1891058 Study and Experimental Analysis of a Photovoltaic Pumping System under Three Operating Modes
Authors: Rekioua D., Mohammedi A., Rekioua T., Mehleb Z.
Abstract:
Photovoltaic water pumping systems is considered as one of the most promising areas in photovoltaic applications, the economy and reliability of solar electric power made it an excellent choice for remote water pumping. Two conventional techniques are currently in use; the first is the directly coupled technique and the second is the battery buffered photovoltaic pumping system. In this paper, we present different performances of a three operation modes of photovoltaic pumping system. The aim of this work is to determine the effect of different parameters influencing the photovoltaic pumping system performances, such as pumping head, System configuration and climatic conditions. The obtained results are presented and discussed.Keywords: batteries charge mode, photovoltaic pumping system, pumping head, submersible pump
Procedia PDF Downloads 5091057 Formation of the Water Assisted Supramolecular Assembly in the Transition Structure of Organocatalytic Asymmetric Aldol Reaction: A DFT Study
Authors: Kuheli Chakrabarty, Animesh Ghosh, Atanu Roy, Gourab Kanti Das
Abstract:
Aldol reaction is an important class of carbon-carbon bond forming reactions. One of the popular ways to impose asymmetry in aldol reaction is the introduction of chiral auxiliary that binds the approaching reactants and create dissymmetry in the reaction environment, which finally evolves to enantiomeric excess in the aldol products. The last decade witnesses the usage of natural amino acids as chiral auxiliary to control the stereoselectivity in various carbon-carbon bond forming processes. In this context, L-proline was found to be an effective organocatalyst in asymmetric aldol additions. In last few decades the use of water as solvent or co-solvent in asymmetric organocatalytic reaction is increased sharply. Simple amino acids like L-proline does not catalyze asymmetric aldol reaction in aqueous medium not only that, In organic solvent medium high catalytic loading (~30 mol%) is required to achieve moderate to high asymmetric induction. In this context, huge efforts have been made to modify L-proline and 4-hydroxy-L-proline to prepare organocatalyst for aqueous medium asymmetric aldol reaction. Here, we report the result of our DFT calculations on asymmetric aldol reaction of benzaldehyde, p-NO2 benzaldehyde and t-butyraldehyde with a number of ketones using L-proline hydrazide as organocatalyst in wet solvent free condition. Gaussian 09 program package and Gauss View program were used for the present work. Geometry optimizations were performed using B3LYP hybrid functional and 6-31G(d,p) basis set. Transition structures were confirmed by hessian calculation and IRC calculation. As the reactions were carried out in solvent free condition, No solvent effect were studied theoretically. Present study has revealed for the first time, the direct involvement of two water molecules in the aldol transition structures. In the TS, the enamine and the aldehyde is connected through hydrogen bonding by the assistance of two intervening water molecules forming a supramolecular network. Formation of this type of supramolecular assembly is possible due to the presence of protonated -NH2 group in the L-proline hydrazide moiety, which is responsible for the favorable entropy contribution to the aldol reaction. It is also revealed from the present study that, water assisted TS is energetically more favorable than the TS without involving any water molecule. It can be concluded from this study that, insertion of polar group capable of hydrogen bond formation in the L-proline skeleton can lead to a favorable aldol reaction with significantly high enantiomeric excess in wet solvent free condition by reducing the activation barrier of this reaction.Keywords: aldol reaction, DFT, organocatalysis, transition structure
Procedia PDF Downloads 4341056 Multi-Objective Optimization of an Aerodynamic Feeding System Using Genetic Algorithm
Authors: Jan Busch, Peter Nyhuis
Abstract:
Considering the challenges of short product life cycles and growing variant diversity, cost minimization and manufacturing flexibility increasingly gain importance to maintain a competitive edge in today’s global and dynamic markets. In this context, an aerodynamic part feeding system for high-speed industrial assembly applications has been developed at the Institute of Production Systems and Logistics (IFA), Leibniz Universitaet Hannover. The aerodynamic part feeding system outperforms conventional systems with respect to its process safety, reliability, and operating speed. In this paper, a multi-objective optimisation of the aerodynamic feeding system regarding the orientation rate, the feeding velocity and the required nozzle pressure is presented.Keywords: aerodynamic feeding system, genetic algorithm, multi-objective optimization, workpiece orientation
Procedia PDF Downloads 5771055 Smart Polymeric Nanoparticles Loaded with Vincristine Sulfate for Applications in Breast Cancer Drug Delivery in MDA-MB 231 and MCF7 Cell Lines
Authors: Reynaldo Esquivel, Pedro Hernandez, Aaron Martinez-Higareda, Sergio Tena-Cano, Enrique Alvarez-Ramos, Armando Lucero-Acuna
Abstract:
Stimuli-responsive nanomaterials play an essential role in loading, transporting and well-distribution of anti-cancer compounds in the cellular surroundings. The outstanding properties as the Lower Critical Solution Temperature (LCST), hydrolytic cleavage and protonation/deprotonation cycle, govern the release and delivery mechanisms of payloads. In this contribution, we experimentally determine the load efficiency and release of antineoplastic Vincristine Sulfate into PNIPAM-Interpenetrated-Chitosan (PIntC) nanoparticles. Structural analysis was performed by Fourier Transform Infrared Spectroscopy (FT-IR) and Proton Nuclear Magnetic Resonance (1HNMR). ζ-Potential (ζ) and Hydrodynamic diameter (DH) measurements were monitored by Electrophoretic Mobility (EM) and Dynamic Light scattering (DLS) respectively. Mathematical analysis of the release pharmacokinetics reveals a three-phase model above LCST, while a monophasic of Vincristine release model was observed at 32 °C. Cytotoxic essays reveal a noticeable enhancement of Vincristine effectiveness at low drug concentration on HeLa cervix cancer and MDA-MB-231 breast cancer.Keywords: nanoparticles, vincristine, drug delivery, PNIPAM
Procedia PDF Downloads 1561054 Predictive Pathogen Biology: Genome-Based Prediction of Pathogenic Potential and Countermeasures Targets
Authors: Debjit Ray
Abstract:
Horizontal gene transfer (HGT) and recombination leads to the emergence of bacterial antibiotic resistance and pathogenic traits. HGT events can be identified by comparing a large number of fully sequenced genomes across a species or genus, define the phylogenetic range of HGT, and find potential sources of new resistance genes. In-depth comparative phylogenomics can also identify subtle genome or plasmid structural changes or mutations associated with phenotypic changes. Comparative phylogenomics requires that accurately sequenced, complete and properly annotated genomes of the organism. Assembling closed genomes requires additional mate-pair reads or “long read” sequencing data to accompany short-read paired-end data. To bring down the cost and time required of producing assembled genomes and annotating genome features that inform drug resistance and pathogenicity, we are analyzing the performance for genome assembly of data from the Illumina NextSeq, which has faster throughput than the Illumina HiSeq (~1-2 days versus ~1 week), and shorter reads (150bp paired-end versus 300bp paired end) but higher capacity (150-400M reads per run versus ~5-15M) compared to the Illumina MiSeq. Bioinformatics improvements are also needed to make rapid, routine production of complete genomes a reality. Modern assemblers such as SPAdes 3.6.0 running on a standard Linux blade are capable in a few hours of converting mixes of reads from different library preps into high-quality assemblies with only a few gaps. Remaining breaks in scaffolds are generally due to repeats (e.g., rRNA genes) are addressed by our software for gap closure techniques, that avoid custom PCR or targeted sequencing. Our goal is to improve the understanding of emergence of pathogenesis using sequencing, comparative genomics, and machine learning analysis of ~1000 pathogen genomes. Machine learning algorithms will be used to digest the diverse features (change in virulence genes, recombination, horizontal gene transfer, patient diagnostics). Temporal data and evolutionary models can thus determine whether the origin of a particular isolate is likely to have been from the environment (could it have evolved from previous isolates). It can be useful for comparing differences in virulence along or across the tree. More intriguing, it can test whether there is a direction to virulence strength. This would open new avenues in the prediction of uncharacterized clinical bugs and multidrug resistance evolution and pathogen emergence.Keywords: genomics, pathogens, genome assembly, superbugs
Procedia PDF Downloads 1971053 Multi-Layer Mn-Doped SnO2 Thin Film for Multi-State Resistive Switching
Authors: Zhemi Xu, Dewei Chu, Sean Li
Abstract:
Well self-assembled pure and Mn-doped SnO2 nanocubes were synthesized by interface thermodynamic method, which is ideal for highly homogeneous large scale thin film deposition on flexible substrates for various electric devices. Mn-doped SnO2 shows very good resistive switching with high On/Off ratio (over 103), endurance and retention characteristics. More important, the resistive state can be tuned by multi-layer fabrication by alternate pure SnO2 and Mn-doped SnO2 nanocube layer, which improved the memory capacity of resistive switching effectively. Thus, such a method provides transparent, multi-level resistive switching for next generation non-volatile memory applications.Keywords: metal oxides, self-assembly nanoparticles, multi-level resistive switching, multi-layer thin film
Procedia PDF Downloads 3451052 Study of the Behavior of Bolted Joints with and Without Reinforcement
Authors: Karim Akkouche
Abstract:
Many methods have been developed for characterizing the behavior of bolted joints. However, in the presence of a certain model of stiffeners, no orientation was given in relation to their modeling. To this end, multitude of coarse errors can arise in the reproduction of the propagation of efforts and in representation of the modes of deformations. Considering these particularities, a numerical investigation was carried out in our laboratory. In this paper we will present a comparative study between three types of assemblies. A non-linear 3D modeling was chosen, given that it takes into consideration geometric and material non-linearity, using the Finite Element calculation code ABAQUS. Initially, we evaluated the influence of the presence of each stiffener on the "global" behavior of the assemblies, this by analyzing their Moment-Rotation curves, also by referring to the classification system proposed by NF EN 1993- 1.8 which is based on the resisting moment Mj-Rd and the initial stiffness Sj.int. In a second step, we evaluated the "local" behavior of their components by referring to the stress-strain curves.Keywords: assembly, post-beam, end plate, nonlinearity
Procedia PDF Downloads 741051 Impact of Marangoni Stress and Mobile Surface Charge on Electrokinetics of Ionic Liquids Over Hydrophobic Surfaces
Authors: Somnath Bhattacharyya
Abstract:
The mobile adsorbed surface charge on hydrophobic surfaces can modify the velocity slip condition as well as create a Marangoni stress at the interface. The functionalized hydrophobic walls of micro/nanopores, e.g., graphene nanochannels, may possess physio-sorbed ions. The lateral mobility of the physisorbed absorbed ions creates a friction force as well as an electric force, leading to a modification in the velocity slip condition at the hydrophobic surface. In addition, the non-uniform distribution of these surface ions creates a surface tension gradient, leading to a Marangoni stress. The impact of the mobile surface charge on streaming potential and electrochemical energy conversion efficiency in a pressure-driven flow of ionized liquid through the nanopore is addressed. Also, enhanced electro-osmotic flow through the hydrophobic nanochannel is also analyzed. The mean-filed electrokinetic model is modified to take into account the short-range non-electrostatic steric interactions and the long-range Coulomb correlations. The steric interaction is modeled by considering the ions as charged hard spheres of finite radius suspended in the electrolyte medium. The electrochemical potential is modified by including the volume exclusion effect, which is modeled based on the BMCSL equation of state. The electrostatic correlation is accounted for in the ionic self-energy. The extremal of the self-energy leads to a fourth-order Poisson equation for the electric field. The ion transport is governed by the modified Nernst-Planck equation, which includes the ion steric interactions; born force arises due to the spatial variation of the dielectric permittivity and the dielectrophoretic force on the hydrated ions. This ion transport equation is coupled with the Navier-Stokes equation describing the flow of the ionized fluid and the 3fourth-order Poisson equation for the electric field. We numerically solve the coupled set of nonlinear governing equations along with the prescribed boundary conditions by adopting a control volume approach over a staggered grid arrangement. In the staggered grid arrangements, velocity components are stored on the midpoint of the cell faces to which they are normal, whereas the remaining scalar variables are stored at the center of each cell. The convection and electromigration terms are discretized at each interface of the control volumes using the total variation diminishing (TVD) approach to capture the strong convection resulting from the highly enhanced fluid flow due to the modified model. In order to link pressure to the continuity equation, we adopt a pressure correction-based iterative SIMPLE (Semi-Implicit Method for Pressure-Linked Equations) algorithm, in which the discretized continuity equation is converted to a Poisson equation involving pressure correction terms. Our results show that the physisorbed ions on a hydrophobic surface create an enhanced slip velocity when streaming potential, which enhances the convection current. However, the electroosmotic flow attenuates due to the mobile surface ions.Keywords: microfluidics, electroosmosis, streaming potential, electrostatic correlation, finite sized ions
Procedia PDF Downloads 721050 Simple Fabrication of Au (111)-Like Electrode and Its Applications to Electrochemical Determination of Dopamine and Ascorbic Acid
Authors: Zahrah Thamer Althagafi, Mohamed I. Awad
Abstract:
A simple method for the fabrication of Au (111)-like electrode via controlled reductive desorption of a pre-adsorbed cysteine monolayer onto polycrystalline gold (poly-Au) electrode is introduced. Then, the voltammetric behaviour of dopamine (DA) and ascorbic acid (AA) on the thus modified electrode is investigated. Electrochemical characterization of the modified electrode is achieved using cyclic voltammetry and square wave voltammetry. For the binary mixture of DA and AA, the results showed that Au (111)-like electrode exhibits excellent electrocatalytic activity towards the oxidation of DA and AA. This allows highly selective and simultaneous determination of DA and AA. The effect of various experimental parameters on the voltammetric responses of DA and AA was investigated. The enrichment of the Au (111) facet of the poly-Au electrode is thought to be behind the electrocatalytic activity.Keywords: gold electrode, electroanalysis, electrocatalysis, monolayers, self-assembly, cysteine, dopamine, ascorbic acid
Procedia PDF Downloads 1951049 Investigation of the EEG Signal Parameters during Epileptic Seizure Phases in Consequence to the Application of External Healing Therapy on Subjects
Authors: Karan Sharma, Ajay Kumar
Abstract:
Epileptic seizure is a type of disease due to which electrical charge in the brain flows abruptly resulting in abnormal activity by the subject. One percent of total world population gets epileptic seizure attacks.Due to abrupt flow of charge, EEG (Electroencephalogram) waveforms change. On the display appear a lot of spikes and sharp waves in the EEG signals. Detection of epileptic seizure by using conventional methods is time-consuming. Many methods have been evolved that detect it automatically. The initial part of this paper provides the review of techniques used to detect epileptic seizure automatically. The automatic detection is based on the feature extraction and classification patterns. For better accuracy decomposition of the signal is required before feature extraction. A number of parameters are calculated by the researchers using different techniques e.g. approximate entropy, sample entropy, Fuzzy approximate entropy, intrinsic mode function, cross-correlation etc. to discriminate between a normal signal & an epileptic seizure signal.The main objective of this review paper is to present the variations in the EEG signals at both stages (i) Interictal (recording between the epileptic seizure attacks). (ii) Ictal (recording during the epileptic seizure), using most appropriate methods of analysis to provide better healthcare diagnosis. This research paper then investigates the effects of a noninvasive healing therapy on the subjects by studying the EEG signals using latest signal processing techniques. The study has been conducted with Reiki as a healing technique, beneficial for restoring balance in cases of body mind alterations associated with an epileptic seizure. Reiki is practiced around the world and is recommended for different health services as a treatment approach. Reiki is an energy medicine, specifically a biofield therapy developed in Japan in the early 20th century. It is a system involving the laying on of hands, to stimulate the body’s natural energetic system. Earlier studies have shown an apparent connection between Reiki and the autonomous nervous system. The Reiki sessions are applied by an experienced therapist. EEG signals are measured at baseline, during session and post intervention to bring about effective epileptic seizure control or its elimination altogether.Keywords: EEG signal, Reiki, time consuming, epileptic seizure
Procedia PDF Downloads 4061048 Safety Conditions Analysis of Scaffolding on Construction Sites
Authors: M. Pieńko, A. Robak, E. Błazik-Borowa, J. Szer
Abstract:
This paper presents the results of analysis of 100 full-scale scaffolding structures in terms of compliance with legal acts and safety of use. In 2016 and 2017, authors examined scaffolds in Poland located at buildings which were at construction or renovation stage. The basic elements affecting the safety of scaffolding use such as anchors, supports, platforms, guardrails and toe-boards have been taken into account. All of these elements were checked in each of considered scaffolding. Based on the analyzed scaffoldings, the most common errors concerning assembly process and use of scaffolding were collected. Legal acts on the scaffoldings are not always clear, and this causes many issues. In practice, people realize how dangerous the use of incomplete scaffolds is only when the accident occurs. Despite the fact that the scaffolding should ensure the safety of its users, most accidents on construction sites are caused by fall from a height.Keywords: façade scaffolds, load capacity, practice, safety of people
Procedia PDF Downloads 4031047 Computational Fluid Dynamics (CFD) Calculations of the Wind Turbine with an Adjustable Working Surface
Authors: Zdzislaw Kaminski, Zbigniew Czyz, Krzysztof Skiba
Abstract:
This paper discusses the CFD simulation of a flow around a rotor of a Vertical Axis Wind Turbine. Numerical simulation, unlike experiments, enables us to validate project assumptions when it is designed and avoid a costly preparation of a model or a prototype for a bench test. CFD simulation enables us to compare characteristics of aerodynamic forces acting on rotor working surfaces and define operational parameters like torque or power generated by a turbine assembly. This research focused on the rotor with the blades capable of modifying their working surfaces, i.e. absorbing wind kinetic energy. The operation of this rotor is based on adjusting angular aperture α of the top and bottom parts of the blades mounted on an axis. If this angular aperture α increases, the working surface which absorbs wind kinetic energy also increases. The operation of turbines is characterized by parameters like the angular aperture of blades, power, torque, speed for a given wind speed. These parameters have an impact on the efficiency of assemblies. The distribution of forces acting on the working surfaces in our turbine changes according to the angular velocity of the rotor. Moreover, the resultant force from the force acting on an advancing blade and retreating blade should be as high as possible. This paper is part of the research to improve an efficiency of a rotor assembly. Therefore, using simulation, the courses of the above parameters were studied in three full rotations individually for each of the blades for three angular apertures of blade working surfaces, i.e. 30 °, 60 °, 90 °, at three wind speeds, i.e. 4 m / s, 6 m / s, 8 m / s and rotor speeds ranging from 100 to 500 rpm. Finally, there were created the characteristics of torque coefficients and power as a function of time for each blade separately and for the entire rotor. Accordingly, the correlation between the turbine rotor power as a function of wind speed for varied values of rotor rotational speed. By processing this data, the correlation between the power of the turbine rotor and its rotational speed for each of the angular aperture of the working surfaces was specified. Finally, the optimal values, i.e. of the highest output power for given wind speeds were read. The research results in receiving the basic characteristics of turbine rotor power as a function of wind speed for the three angular apertures of the blades. Given the nature of rotor operation, the growth in the output turbine can be estimated if angular aperture of the blades increases. The controlled adjustment of angle α enables a smooth adjustment of power generated by a turbine rotor. If wind speed is significant, this type of adjustment enables this output power to remain at the same level (by reducing angle α) with no risk of damaging a construction. This work has been financed by the Polish Ministry of Science and Higher Education.Keywords: computational fluid dynamics, numerical analysis, renewable energy, wind turbine
Procedia PDF Downloads 217