Search results for: molecular interfacial layer
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 4593

Search results for: molecular interfacial layer

4413 Identifying Network Subgraph-Associated Essential Genes in Molecular Networks

Authors: Efendi Zaenudin, Chien-Hung Huang, Ka-Lok Ng

Abstract:

Essential genes play an important role in the survival of an organism. It has been shown that cancer-associated essential genes are genes necessary for cancer cell proliferation, where these genes are potential therapeutic targets. Also, it was demonstrated that mutations of the cancer-associated essential genes give rise to the resistance of immunotherapy for patients with tumors. In the present study, we focus on studying the biological effects of the essential genes from a network perspective. We hypothesize that one can analyze a biological molecular network by decomposing it into both three-node and four-node digraphs (subgraphs). These network subgraphs encode the regulatory interaction information among the network’s genetic elements. In this study, the frequency of occurrence of the subgraph-associated essential genes in a molecular network was quantified by using the statistical parameter, odds ratio. Biological effects of subgraph-associated essential genes are discussed. In summary, the subgraph approach provides a systematic method for analyzing molecular networks and it can capture useful biological information for biomedical research.

Keywords: biological molecular networks, essential genes, graph theory, network subgraphs

Procedia PDF Downloads 124
4412 Modeling of Silicon Window Layers for Solar Cells Based SIGE

Authors: Meriem Boukais, B. Dennai, A. Ould- Abbas

Abstract:

The efficiency of SiGe solar cells might be improved by a wide-band-gap window layer. In this work we were simulated using the one dimensional simulation program called analysis of microelectronic and photonic structures (AMPS-1D). In the modeling, the thickness of silicon window was varied from 80 to 150 nm. The rest of layer’s thicknesses were kept constant, by varying thickness of window layer the simulated device performance was demonstrate in the form of current-voltage (I-V) characteristics and quantum efficiency (QE).

Keywords: modeling, SiGe, AMPS-1D, quantum efficiency, conversion, efficiency

Procedia PDF Downloads 687
4411 Transfer Rate of Organic Water Contaminants through a Passive Sampler Membrane of Polyethersulfone (PES)

Authors: Hamidreza Sharifan, Audra Morse

Abstract:

Accurate assessments of contaminant concentrations based on traditional grab sampling methods are not always possible. Passive samplers offer an attractive alternative to traditional sampling methods that overcomes these limitations. The POCIS approach has been used as a screening tool for determining the presence/absence, possible sources and relative amounts of organic compounds at field sites. The objective for the present research is on mass transfer of five water contaminants (atrazine, caffeine, bentazon, ibuprofen, atenolol) through the Water Boundary Layer (WBL) and membrane. More specific objectives followed by establishing a relationship between the sampling rate and water solubility of the compounds, as well as comparing the molecular weight of the compounds and concentration of the compounds at the time of equilibrium. To determine whether water boundary layer effects transport rate through the membrane is another main objective in this paper. After GC mass analysis of compounds, regarding the WBL effect in this experiment, Sherwood number for the experimental tank developed. A close relationship between feed concentration of compound and sampling rate has been observed.

Keywords: passive sampler, water contaminants, PES-transfer rate, contaminant concentrations

Procedia PDF Downloads 428
4410 Influence of Layer-by-Layer Coating Parameters on the Properties of Hybrid Membrane for Water Treatment

Authors: Jenny Radeva, Anke-Gundula Roth, Christian Goebbert, Robert Niestroj-Pahl, Lars Daehne, Axel Wolfram, Juergen WIese

Abstract:

The presented investigation studies the correlation between the process parameters of Layer-by-Layer (LbL) coatings and properties of the produced hybrid membranes for water treatment. The coating of alumina ceramic support membrane with polyelectrolyte multilayers on top results in hybrid membranes with increased fouling resistant behavior, high retention (up to 90%) of salt ions and various pharmaceuticals, selectivity to various organic molecules as known from LbL coated polyether sulfone membranes and the possibility of pH response control. Chosen polyelectrolytes were added to the support using the LbL-coating process. Parameters like the type of polyelectrolyte, ionic strength, and pH were varied in order to find the most suitable process conditions and to study how they influence the properties of the final product. The applied LbL-films was investigated in respect to its homogeneity and penetration depth. The analysis of the layer buildup was performed using fluorescence labeled polyelectrolyte molecules and Confocal Laser Scanning Microscopy as well as Scanning and Transmission Electron Microscopy. Furthermore, the influence of the coating parameters on the porosity, surface potential, retention, and permeability of the developed hybrid membranes were estimated. In conclusion, a comparison was drawn between the filtration performance of the uncoated alumina ceramic membrane and modified hybrid membranes.

Keywords: water treatment, membranes, ceramic membranes, hybrid membranes, layer-by-layer modification

Procedia PDF Downloads 151
4409 Characterization of Oxide Layer Developed during Tribo-Interaction of Zircaloys

Authors: Bharat Kumar, Deepak Kumar, Vijay Chaudhry

Abstract:

Zirconium alloys are used as core components of nuclear reactors due to their high wear resistance, good corrosion properties, and good mechanical stability at high temperatures. The present work simulates the contact between the calandria tube and the liquid injection shutdown system (LISS) nozzle. The Calandria tube is the outer covering of the pressure tube. Water flows inside the pressure tube through fuel claddings which produces vibration in the pressure tube along with vibration in the calandria tube. Fretting wear takes place at the point of contact between the calandria tube and the LISS nozzle. Fretting tests were performed under different conditions, such as; varying fretting duration (i.e., 1 to 4 hours), varying frequency (i.e., 5 to 6.5 Hz), and varying amplitude (100 to 400 µm). The formation of the oxide layer was observed during the fretting wear test; as a result, the worn product. The worn surfaces were analyzed with scanning electron microscopy (SEM) to analyze the wear mechanism involved in the fretting test, and Energy dispersive x-ray spectroscopy (EDS) and Raman spectroscopy were used to confirm the presence of an oxide layer on the worn surface. The oxide layer becomes more uniform with fretting duration in case of water submerged condition as compared to dry contact condition. The oxide layer is deeply removed at high amplitude due to the change of wear mechanism from adhesion to abrasion, as confirmed by the presence of micro ploughing and micro cutting. Low amplitude fretting favors the formation of the tribo-oxide layer.

Keywords: tribo-oxide layer, wear, mechanically mixed layer, zircaloy

Procedia PDF Downloads 53
4408 Simulation Of Silicon Window Layers For Solar Cells Based Sige

Authors: Boukais Meriem, B. Dennai, A. Ould-Abbas

Abstract:

The efficiency of SiGe solar cells might be improved by a wide-band-gap window layer. In this work we were simulated using the one dimensional simulation program called analysis of microelectronic and photonic structures (AMPS-1D). In the simulation, the thickness of silicon window was varied from 80 to 150 nm. The rest of layer’s thicknesses were kept constant, by varying thickness of window layer the simulated device performance was demonstrate in the form of current-voltage (I-V) characteristics and quantum efficiency (QE).

Keywords: SiGe, AMPS-1D, simulation, conversion, efficiency, quantum efficiency

Procedia PDF Downloads 757
4407 Mechanism and Kinetic of Layers Growth: Application to Nitriding of 32CrMoV13 Steel

Authors: Torchane Lazhar

Abstract:

In this work, our task consists in optimizing the nitriding treatment at low-temperature of the steel 32CrMoV13 by the way of the mixtures of ammonia gas, nitrogen and hydrogen to improve the mechanical properties of the surface (good wear resistance, friction and corrosion), and of the diffusion layer of the nitrogen (good resistance to fatigue and good tenacity with heart). By limiting our work to the pure iron and to the alloys iron-chromium and iron-chrome-carbon, we have studied the various parameters which manage the nitriding: flow rate and composition of the gaseous phase, the interaction chromium-nitrogen and chromium-carbon by the help of experiments of nitriding realized in the laboratory by thermogravimetry. The acquired knowledge have been applied by the mastery of the growth of the combination layer on the diffusion layer in the case of the industrial steel 32CrMoV13.

Keywords: diffusion of nitrogen, gaseous nitriding, layer growth kinetic, steel

Procedia PDF Downloads 385
4406 The Effects of Red Onion Extract (Allium ascalonicum L.) in the Pulmonary Histopathological Lesions of Layer Chickens at 47 Days Old Raised in the Battery Cage

Authors: R. N. Nataria, A. D. Paryuni, R. Wasito

Abstract:

Layer farms in Indonesia have still obstacles to increasing their productivity, especially due to poultry diseases. The red onion (Allium ascalonicum L.) is a plant that contains flavonoid and saponin. Flavonoid is useful as anti-inflammatory and antioxidant while saponin is useful as antivirus, anti-inflammatory, antifungal, and immunomodulator. This study aimed to know and determine the effect of onion extracts to pulmonary histopathological lesions in layer chickens which raised in the battery cage. This study used eighteen layer chickens at seventeen days old. The eighteen layer chickens were divided into three groups of six each, namely without administration of red onion extract (Group I), with administration red onion extract through drinking water (Group II) and with administration red onion extract peroral (Group III). Every ten days, six chickens were necropsied and then the lungs were processed for histopathological preparations and stained with routine hematoxylin and eosin. The results showed that the lungs of the Group I had severe congestion and diffuse hemorrhages. In Group II, lungs had moderate congestion and hemorrhages. In group III, lungs had mild congestion and hemorrhages. It is concluded, that red onion extract apparently has reduced the lungs lesions in layer chickens.

Keywords: histopathological lesions, layers, lungs, poultry diseases, red onion extract

Procedia PDF Downloads 417
4405 Multi-Layer Silica Alumina Membrane Performance for Flue Gas Separation

Authors: Ngozi Nwogu, Mohammed Kajama, Emmanuel Anyanwu, Edward Gobina

Abstract:

With the objective to create technologically advanced materials to be scientifically applicable, multi-layer silica alumina membranes were molecularly fabricated by continuous surface coating silica layers containing hybrid material onto a ceramic porous substrate for flue gas separation applications. The multi-layer silica alumina membrane was prepared by dip coating technique before further drying in an oven at elevated temperature. The effects of substrate physical appearance, coating quantity, the cross-linking agent, a number of coatings and testing conditions on the gas separation performance of the membrane have been investigated. Scanning electron microscope was used to investigate the development of coating thickness. The membrane shows impressive perm selectivity especially for CO2 and N2 binary mixture representing a stimulated flue gas stream

Keywords: gas separation, silica membrane, separation factor, membrane layer thickness

Procedia PDF Downloads 373
4404 Formulation of Hybrid Nanopowder-Molecular Ink for Fabricating Critical Material-Free Cu₂ZnSnS₄ Thin Film Solar Absorber

Authors: Anies Mutiari, Neha Bansal, Martin Artner, Veronika Mayer, Juergen Roth, Mathias Weil, Rachmat Adhi Wibowo

Abstract:

Cu₂ZnSnS₄ (CZTS) compound (mineral name kesterite) has attracted considerable interests for photovoltaic application owing to its optoelectrical properties. Moreover, its elemental abundance in Earth’s crust offers a comparative advantage for envisaged large-scale photovoltaic deployment without any material shortage issues. In this contribution, we present an innovative route to prepare CZTS solar absorber layer for photovoltaic application from low-cost and up-scalable process. CZTS layers were spin coated on the Molybdenum-coated glass from two inks composed of different solvents; dimethylsulfoxide (DMSO) and ultrapure water. Into each solvent; 0.57M CuCl₂, 0.39M ZnCl₂, 0.53M SnCl₂, and 1.85M Thiourea or Na₂S₂O₃, as well as pre-synthesized CZTS nanopowder, were added as sources of Cu, Zn, Sn and S in the ink. The crystallisation of ink into CZTS dense layers was carried out by firstly annealing the as-deposited CZTS layer in open air at 300°C for 1 minute, followed by sulfurisation at 560–620°C under atmospheric pressure for 120 minutes. Complementary electron microscopy, grazing incidence X-ray diffraction and Raman spectroscopy investigations suggest that both solvents can be used for preparing high quality and device relevant CZTS solar absorber layers. The sulphurisation crystallizes the as-deposited CZTS into highly polycrystalline CZTS layer with tetragonal structure demonstrated by the presence of tetrahedrally-shaped grains with the size of 1 µm. An advancement of the CZTS layer preparation was made by gradual substitution of volatile organic compound solvent of DMSO with ultrapure water. It is revealed that by using similar air annealing and sulphurisation process, dense and compact CZTS layers can also be fabricated from an ink with reduced volatile organic compound content.

Keywords: kesterite, solar ink, spin coating, photovoltaics

Procedia PDF Downloads 134
4403 Biomechanical Prediction of Veins and Soft Tissues beneath Compression Stockings Using Fluid-Solid Interaction Model

Authors: Chongyang Ye, Rong Liu

Abstract:

Elastic compression stockings (ECSs) have been widely applied in prophylaxis and treatment of chronic venous insufficiency of lower extremities. The medical function of ECS is to improve venous return and increase muscular pumping action to facilitate blood circulation, which is largely determined by the complex interaction between the ECS and lower limb tissues. Understanding the mechanical transmission of ECS along the skin surface, deeper tissues, and vascular system is essential to assess the effectiveness of the ECSs. In this study, a three-dimensional (3D) finite element (FE) model of the leg-ECS system integrated with a 3D fluid-solid interaction (FSI) model of the leg-vein system was constructed to analyze the biomechanical properties of veins and soft tissues under different ECS compression. The Magnetic Resonance Imaging (MRI) of the human leg was divided into three regions, including soft tissues, bones (tibia and fibula) and veins (peroneal vein, great saphenous vein, and small saphenous vein). The ECSs with pressure ranges from 15 to 26 mmHg (Classes I and II) were adopted in the developed FE-FSI model. The soft tissue was assumed as a Neo-Hookean hyperelastic model with the fixed bones, and the ECSs were regarded as an orthotropic elastic shell. The interfacial pressure and stress transmission were simulated by the FE model, and venous hemodynamics properties were simulated by the FSI model. The experimental validation indicated that the simulated interfacial pressure distributions were in accordance with the pressure measurement results. The developed model can be used to predict interfacial pressure, stress transmission, and venous hemodynamics exerted by ECSs and optimize the structure and materials properties of ECSs design, thus improving the efficiency of compression therapy.

Keywords: elastic compression stockings, fluid-solid interaction, tissue and vein properties, prediction

Procedia PDF Downloads 87
4402 Overview of Wireless Body Area Networks

Authors: Rashi Jain

Abstract:

The Wireless Body Area Networks (WBANs) is an emerging interdisciplinary area where small sensors are placed on/within the human body. These sensors monitor the physiological activities and vital statistics of the body. The data from these sensors is aggregated and communicated to a remote doctor for immediate attention or to a database for records. On 6 Feb 2012, the IEEE 802.15.6 task group approved the standard for Body Area Network (BAN) technologies. The standard proposes the physical and MAC layer for the WBANs. The work provides an introduction to WBANs and overview of the physical and MAC layers of the standard. The physical layer specifications have been covered. A comparison of different protocols used at MAC layer is drawn. An introduction to the network layer and security aspects of the WBANs is made. The WBANs suffer certain limitations such as regulation of frequency bands, minimizing the effect of transmission and reception of electromagnetic signals on the human body, maintaining the energy efficiency among others. This has slowed down their implementation.

Keywords: vehicular networks, sensors, MicroController 8085, LTE

Procedia PDF Downloads 233
4401 Adherence Induced Formwork Removal in Small-Scale Pull-Off Tensile Tests

Authors: Nicolas Spitz, Nicolas Coniglio, Mohamed El Mansori, Alex Montagne, Sabeur Mezghani

Abstract:

Nowadays buildings' construction is performed by pouring concrete into molds referred to as formworks that are usually prefabricated metallic modules. Defects such as stripping may possibly form during the removal of the formwork if the interfacial bonding between the concrete and the formwork is high. A new pull-off tensile test was developed in our laboratory to simulate small-scale formwork removals. The concrete-to-formwork adherence force was measured on bare and coated formworks with different surface signatures. The used concrete was a mixture largely used on building sites and contains CEM I Portland cement and calcareous filler. The concrete surface appearance and the type of failures at the concrete-formwork interface have been investigated. The originality of this near-to-surface test was to compare the laboratory-measured adherence forces to the on-site observations. Based upon the small-scale laboratory test results, functional formwork specifications with low adherence to concrete was proposed in terms of superficial signature characteristics.

Keywords: concrete-formwork adherence, interfacial bonding, skin formwork functionality, small-scale pull-off tensile test

Procedia PDF Downloads 222
4400 Effect of Nitriding and Shot Peening on Corrosion Behavior and Surface Properties of Austenite Stainless Steel 316L

Authors: Khiaira S. Hassan, Abbas S. Alwan, Muna K. Abbass

Abstract:

This research aims to study the effect of the liquid nitriding and shot peening on the hardness, surface roughness, residual stress, microstructure and corrosion behavior of austenite stainless steel 316 L. Chemical surface heat treatment by liquid nitriding process was carried out at 500 °C for 1 h and followed by shot peening with using ball steel diameter of 1.25 mm in different exposure time of 10 and 20 min. Electrochemical corrosion test was applied in sea water (3.5% NaCl solution) by using potentostat instrument. The results showed that the nitride layer consists of a compound layer (white layer) and diffusion zone immediately below the alloy layer. It has been found that the mechanical treatment (shot peening) has led to the formation of compressive residual stresses in layer surface that increased the hardness of stainless steel surface. All surface treatment (nitriding and shot peening) processes have led to the formation of carbide of CrN in hard surface layer. It was shown that both processes caused an increase in surface hardness and roughness which increases with shot peening time. Also, the corrosion results showed that the liquid nitriding and shot peening processes increase the corrosion rate to values more than that of not treated stainless steel.

Keywords: stainless steel 316L, shot peening, nitriding, corrosion, hardness

Procedia PDF Downloads 441
4399 Synthesis of Flower-Like Silver Nanoarchitectures in Special Shapes and Their Applications in Surface-Enhanced Raman Scattering

Authors: Radka Králová, Libor Kvítek, Václav Ranc, Aleš Panáček, Radek Zbořil

Abstract:

Surface–Enhanced Raman Scattering (SERS) is an optical spectroscopic technique with very good potential for sensitive detection of substances. In this research, active substrates with high enhancement were provided. Novel silver particles (nanostructures) with high roughened, flower–like morphology were prepared by reduction of cation complex [Ag(NH3)2]+ in presence of sodium borohydride as reducing agent and stabilized polyacrylic acid. The products were characterized by UV/VIS absorption spectrophotometry. Special shapes of silver particles were determined by scanning electron microscopy (SEM) and transmission electron spectroscopy (TEM). Dispersions of this particle were put on fixed substrate to producing suitable layer for SERS. Adenine was applied as basic substance whose effect of enhancement on the layer of silver nanostructures was studied. By comparison with our work, the important influence of stabilizers, polyacrylic acid with various molecular weight and concentration, on the transfer of particles and formation of new structure was confirmed.

Keywords: metals, nanostructures, chemical reduction, Raman spectroscopy, optical properties

Procedia PDF Downloads 347
4398 X-Ray and DFT Electrostatics Parameters Determination of a Coumarin Derivative Compound C17H13NO3

Authors: Y. Megrous, A. Chouaih, F. Hamzaoui

Abstract:

The crystal structure of 4-Methyl-7-(salicylideneamino)coumarin C17H13NO3has been determined using X-ray diffraction to establish the configuration and stereochemistry of the molecule. This crystal is characterized by its nolinear activity. The molecular electron charge density distribution of the title compound is described accurately using the multipolar model of Hansen and Coppens. The net atomic charge and the molecular dipole moment in-crystal have been determined in order to understand the nature of inter-and intramolecular charge transfer. The study present the thermal motion and the structural analysis obtained from the least-square refinement on F2,this study has also allowed us to determine the electrostatic potential and therefore locate the electropositive part and the electronegative part in molecular scale of the title compound.

Keywords: electron charge density, net atomic charge, molecular dipole moment, X-ray diffraction

Procedia PDF Downloads 424
4397 Identifying Promoters and Their Types Based on a Two-Layer Approach

Authors: Bin Liu

Abstract:

Prokaryotic promoter, consisted of two short DNA sequences located at in -35 and -10 positions, is responsible for controlling the initiation and expression of gene expression. Different types of promoters have different functions, and their consensus sequences are similar. In addition, their consensus sequences may be different for the same type of promoter, which poses difficulties for promoter identification. Unfortunately, all existing computational methods treat promoter identification as a binary classification task and can only identify whether a query sequence belongs to a specific promoter type. It is desired to develop computational methods for effectively identifying promoters and their types. Here, a two-layer predictor is proposed to try to deal with the problem. The first layer is designed to predict whether a given sequence is a promoter and the second layer predicts the type of promoter that is judged as a promoter. Meanwhile, we also analyze the importance of feature and sequence conversation in two aspects: promoter identification and promoter type identification. To the best knowledge of ours, it is the first computational predictor to detect promoters and their types.

Keywords: promoter, promoter type, random forest, sequence information

Procedia PDF Downloads 160
4396 Various Modification of Electrochemical Barrier Layer Thinning of Anodic Aluminum Oxide

Authors: W. J. Stępniowski, W. Florkiewicz, M. Norek, M. Michalska-Domańska, E. Kościuczyk, T. Czujko

Abstract:

In this paper, two options of anodic alumina barrier layer thinning have been demonstrated. The approaches varied with the duration of the voltage step. It was found that too long step of the barrier layer thinning process leads to chemical etching of the nanopores on their top. At the bottoms pores are not fully opened what is disadvantageous for further applications in nanofabrication. On the other hand, while the duration of the voltage step is controlled by the current density (value of the current density cannot exceed 75% of the value recorded during previous voltage step) the pores are fully opened. However, pores at the bottom obtained with this procedure have smaller diameter, nevertheless this procedure provides electric contact between the bare aluminum (substrate) and electrolyte, what is suitable for template assisted electrodeposition, one of the most cost-efficient synthesis method in nanotechnology.

Keywords: anodic aluminum oxide, anodization, barrier layer thinning, nanopores

Procedia PDF Downloads 301
4395 The Study on Mechanical Properties of Graphene Using Molecular Mechanics

Authors: I-Ling Chang, Jer-An Chen

Abstract:

The elastic properties and fracture of two-dimensional graphene were calculated purely from the atomic bonding (stretching and bending) based on molecular mechanics method. Considering the representative unit cell of graphene under various loading conditions, the deformations of carbon bonds and the variations of the interlayer distance could be realized numerically under the geometry constraints and minimum energy assumption. In elastic region, it was found that graphene was in-plane isotropic. Meanwhile, the in-plane deformation of the representative unit cell is not uniform along armchair direction due to the discrete and non-uniform distributions of the atoms. The fracture of graphene could be predicted using fracture criteria based on the critical bond length, over which the bond would break. It was noticed that the fracture behavior were directional dependent, which was consistent with molecular dynamics simulation results.

Keywords: energy minimization, fracture, graphene, molecular mechanics

Procedia PDF Downloads 370
4394 Cytokine Profiling in Cultured Endometrial Cells after Hormonal Treatment

Authors: Mark Gavriel, Ariel J. Jaffa, Dan Grisaru, David Elad

Abstract:

The human endometrium-myometrium interface (EMI) is the uterine inner barrier without a separatig layer. It is composed of endometrial epithelial cells (EEC) and endometrial stromal cells (ESC) in the endometrium and myometrial smooth muscle cells (MSMC) in the myometrium. The EMI undergoes structural remodeling during the menstruation cycle which are essential for human reproduction. Recently, we co-cultured a layer-by-layer in vitro model of EEC, ESC and MSMC on a synthetic membrane for mechanobiology experiments. We also treated the model with progesterone and β-estradiol in order to mimic the in vivo receptive uterus In the present study we analyzed the cytokines profile in a single layer of EEC the hormonal treated in vitro model of the EMI. The methodologies of this research include simple tissue-engineering . First, we cultured commercial EEC (RL95-2, ATCC® CRL-1671™) in 24-wellplate. Then, we applied an hormonal stimuli protocol with 17-β-estradiol and progesterone in time dependent concentration according to the human physiology that mimics the menstrual cycle. We collected cell supernatant samples of control, pre-ovulation, ovulation and post-ovulaton periods for analysis of the secreted proteins and cytokines. The cytokine profiling was performed using the Proteome Profiler Human XL Cytokine Array Kit (R&D Systems, Inc., USA) that can detect105 human soluble cytokines. The relative quantification of all the cytokines will be analyzed using xMAP – LUMINEX. We conducted a fishing expedition with the 4 membranes Proteome Profiler. We processed the images, quantified the spots intensity and normalized these values by the negative control and reference spots at the membrane. Analyses of the relative quantities that reflected change higher than 5% of the control points of the kit revealed the The results clearly showed that there are significant changes in the cytokine level for inflammation and angiogenesis pathways. Analysis of tissue-engineered models of the uterine wall will enable deeper investigation of molecular and biomechanical aspects of early reproductive stages (e.g. the window of implantation) or developments of pathologies.

Keywords: tissue-engineering, hormonal stimuli, reproduction, multi-layer uterine model, progesterone, β-estradiol, receptive uterine model, fertility

Procedia PDF Downloads 97
4393 The Extension of Monomeric Computational Results to Polymeric Measurable Properties: An Introductory Computational Chemistry Experiment

Authors: Jing Zhao, Yongqing Bai, Qiaofang Shi, Huaihao Zhang

Abstract:

Advances in software technology enable computational chemistry to be commonly applied in various research fields, especially in pedagogy. Thus, in order to expand and improve experimental instructions of computational chemistry for undergraduates, we designed an introductory experiment—research on acrylamide molecular structure and physicochemical properties. Initially, students construct molecular models of acrylamide and polyacrylamide in Gaussian and Materials Studio software respectively. Then, the infrared spectral data, atomic charge and molecular orbitals of acrylamide as well as solvation effect of polyacrylamide are calculated to predict their physicochemical performance. At last, rheological experiments are used to validate these predictions. Through the combination of molecular simulation (performed on Gaussian, Materials Studio) with experimental verification (rheology experiment), learners have deeply comprehended the chemical nature of acrylamide and polyacrylamide, achieving good learning outcomes.

Keywords: upper-division undergraduate, computer-based learning, laboratory instruction, molecular modeling

Procedia PDF Downloads 110
4392 Molecular Interactions Driving RNA Binding to hnRNPA1 Implicated in Neurodegeneration

Authors: Sakina Fatima, Joseph-Patrick W. E. Clarke, Patricia A. Thibault, Subha Kalyaanamoorthy, Michael Levin, Aravindhan Ganesan

Abstract:

Heteronuclear ribonucleoprotein (hnRNPA1 or A1) is associated with the pathology of different diseases, including neurological disorders and cancers. In particular, the aggregation and dysfunction of A1 have been identified as a critical driver for neurodegeneration (NDG) in Multiple Sclerosis (MS). Structurally, A1 includes a low-complexity domain (LCD) and two RNA-recognition motifs (RRMs), and their interdomain coordination may play a crucial role in A1 aggregation. Previous studies propose that RNA-inhibitors or nucleoside analogs that bind to RRMs can potentially prevent A1 self-association. Therefore, molecular-level understanding of the structures, dynamics, and nucleotide interactions with A1 RRMs can be useful for developing therapeutics for NDG in MS. In this work, a combination of computational modelling and biochemical experiments were employed to analyze a set of RNA-A1 RRM complexes. Initially, the atomistic models of RNA-RRM complexes were constructed by modifying known crystal structures (e.g., PDBs: 4YOE and 5MPG), and through molecular docking calculations. The complexes were optimized using molecular dynamics simulations (200-400 ns), and their binding free energies were computed. The binding affinities of the selected complexes were validated using a thermal shift assay. Further, the most important molecular interactions that contributed to the overall stability of the RNA-A1 RRM complexes were deduced. The results highlight that adenine and guanine are the most suitable nucleotides for high-affinity binding with A1. These insights will be useful in the rational design of nucleotide-analogs for targeting A1 RRMs.

Keywords: hnRNPA1, molecular docking, molecular dynamics, RNA-binding proteins

Procedia PDF Downloads 84
4391 Field-Free Orbital Hall Current-Induced Deterministic Switching in the MO/Co₇₁Gd₂₉/Ru Structure

Authors: Zelalem Abebe Bekele, Kun Lei, Xiukai Lan, Xiangyu Liu, Hui Wen, Kaiyou Wang

Abstract:

Spin-polarized currents offer an efficient means of manipulating the magnetization of a ferromagnetic layer for big data and neuromorphic computing. Research has shown that the orbital Hall effect (OHE) can produce orbital currents, potentially surpassing the counter spin currents induced by the spin Hall effect. However, it’s essential to note that orbital currents alone cannot exert torque directly on a ferromagnetic layer, necessitating a conversion process from orbital to spin currents. Here, we present an efficient method for achieving perpendicularly magnetized spin-orbit torque (SOT) switching by harnessing the localized orbital Hall current generated from a Mo layer within a Mo/CoGd device. Our investigation reveals a remarkable enhancement in the interface-induced planar Hall effect (PHE) within the Mo/CoGd bilayer, resulting in the generation of a z-polarized planar current for manipulating the magnetization of CoGd layer without the need for an in-plane magnetic field. Furthermore, the Mo layer induces out-of-plane orbital current, boosting the in-plane and out-of-plane spin polarization by converting the orbital current into spin current within the dual-property CoGd layer. At the optimal Mo layer thickness, a low critical magnetization switching current density of 2.51×10⁶ A cm⁻² is achieved. This breakthrough opens avenues for all-electrical control energy-efficient magnetization switching through orbital current, advancing the field of spin-orbitronics.

Keywords: spin-orbit torque, orbital hall effect, spin hall current, orbital hall current, interface-generated planar hall current, anisotropic magnetoresistance

Procedia PDF Downloads 11
4390 Relation of Black Carbon Aerosols and Atmospheric Boundary Layer Height during Wet Removal Processes over a Semi Urban Location

Authors: M. Ashok Williams, T. V. Lakshmi Kumar

Abstract:

The life cycle of Black carbon aerosols depends on their physical removal processes from the atmosphere during the precipitation events. Black Carbon (BC) mass concentration has been analysed during rainy and non-rainy days of Northeast (NE) Monsoon months of the years 2015 and 2017 over a semi-urban environment near Chennai (12.81 N, 80.03 E), located on the east coast of India. BC, measured using an Aethalometer (AE-31) has been related to the atmospheric boundary layer height (BLH) obtained from the ERA Interim Reanalysis data during rainy and non-rainy days on monthly mean basis to understand the wet removal of BC over the study location. The study reveals that boundary layer height has a profound effect on the BC concentration on rainy days and non rainy days. It is found that the BC concentration in the night time is lower on rainy days compared to non rainy days owing to wash out on rainy days and the boundary layer height remaining nearly the same on rainy and non rainy days. On the other hand, in the daytime, it is found that the BC concentration remains nearly the same on rainy and non rainy days whereas the boundary layer height is lower on rainy days compared to non rainy days. This reveals that in daytime, lower boundary layer heights compensate for the wet removal effect on BC concentration on rainy days. A quantitative relation is found between the product of BC and BLH during rainy and non-rainy days which indicates the extent of redistribution of BC during non-rainy days when compared to the rainy days. Further work on the wet removal processes of the BC is in progress considering the individual rain events and other related parameters like wind speed.

Keywords: black carbon aerosols, atmospheric boundary layer, scavenging processes, tropical coastal location

Procedia PDF Downloads 123
4389 Identification of Landslide Features Using Back-Propagation Neural Network on LiDAR Digital Elevation Model

Authors: Chia-Hao Chang, Geng-Gui Wang, Jee-Cheng Wu

Abstract:

The prediction of a landslide is a difficult task because it requires a detailed study of past activities using a complete range of investigative methods to determine the changing condition. In this research, first step, LiDAR 1-meter by 1-meter resolution of digital elevation model (DEM) was used to generate six environmental factors of landslide. Then, back-propagation neural networks (BPNN) was adopted to identify scarp, landslide areas and non-landslide areas. The BPNN uses 6 environmental factors in input layer and 1 output layer. Moreover, 6 landslide areas are used as training areas and 4 landslide areas as test areas in the BPNN. The hidden layer is set to be 1 and 2; the hidden layer neurons are set to be 4, 5, 6, 7 and 8; the learning rates are set to be 0.01, 0.1 and 0.5. When using 1 hidden layer with 7 neurons and the learning rate sets to be 0.5, the result of Network training root mean square error is 0.001388. Finally, evaluation of BPNN classification accuracy by the confusion matrix shows that the overall accuracy can reach 94.4%, and the Kappa value is 0.7464.

Keywords: digital elevation model, DEM, environmental factors, back-propagation neural network, BPNN, LiDAR

Procedia PDF Downloads 109
4388 Analysis of Decentralized on Demand Cross Layer in Cognitive Radio Ad Hoc Network

Authors: A. Sri Janani, K. Immanuel Arokia James

Abstract:

Cognitive radio ad hoc networks different unlicensed users may acquire different available channel sets. This non-uniform spectrum availability imposes special design challenges for broadcasting in CR ad hoc networks. Cognitive radio automatically detects available channels in wireless spectrum. This is a form of dynamic spectrum management. Cross-layer optimization is proposed, using this can allow far away secondary users can also involve into channel work. So it can increase the throughput and it will overcome the collision and time delay.

Keywords: cognitive radio, cross layer optimization, CR mesh network, heterogeneous spectrum, mesh topology, random routing optimization technique

Procedia PDF Downloads 332
4387 Inclined Convective Instability in a Porous Layer Saturated with Non-Newtonian Fluid

Authors: Rashmi Dubey

Abstract:

The study aims at investigating the onset of thermal convection in an inclined porous layer saturated with a non-Newtonian fluid. The layer is infinitely extended and has a finite width confined between two boundaries with constant pressure conditions, where the lower one is maintained at a higher temperature. Over the years, this area of research has attracted many scientists and researchers, for it has a plethora of applications in the fields of sciences and engineering, such as in civil engineering, geothermal sites, petroleum industries, etc.Considering the possibilities in a practical scenario, an inclined porous layer is considered, which can be used to develop a generalized model applicable to any inclination. Using the isobaric boundaries, the hydrodynamic boundary conditions are derived for the power-law model and are used to obtain the basic state flow. The convection in the basic state flow is driven by the thermal buoyancy in the flow system and is carried away further due to hydrodynamic boundaries. A linear stability analysis followed by a normal-mode analysis is done to investigate the onset of convection in the buoyancy-driven flow. The analysis shows that the convective instability is always initiated by the non-traveling modes for the Newtonian fluid, but prevails in the form of oscillatory modes, for up to a certain inclination of the porous layer. However, different behavior is observed for the dilatant and pseudoplastic fluids.

Keywords: thermal convection, linear stability, porous media flow, Inclined porous layer

Procedia PDF Downloads 98
4386 The “Buffer Layer” An Improved Electrode-Electrolyte Interface For Solid-State Batteries

Authors: Gregory Schmidt

Abstract:

Solid-state lithium batteries are broadly accepted as promising candidates for application in the next generation of EVs as they should offer safer and higher-energy-density batteries. Nonetheless, their development is impeded by many challenges, including the resistive electrode–electrolyte interface originating from the removal of the liquid electrolyte that normally permeates through the porous cathode and ensures efficient ionic conductivity through the cell. One way to tackle this challenge is by formulating composite cathodes containing solid ionic conductors in their structure, but this approach will require the conductors to exhibit chemical stability, electrochemical stability, flexibility, and adhesion and is, therefore, limited to some materials. Recently, Arkema developed a technology called buffering layer which allows the transformation of any conventional porous electrode into a catholyte. This organic layer has a very high ionic conductivity at room temperature, is compatible with all active materials, and can be processed with conventional Gigafactory equipment. Moreover, this layer helps protect the solid ionic conductor from the cathode and anode materials. During this presentation, the manufacture and the electrochemical performance of this layer for different systems of cathode and anode will be discussed.

Keywords: electrochemistry, all solid state battery, materials, interface

Procedia PDF Downloads 65
4385 Assessment of Groundwater Quality in Kaltungo Local Government Area of Gombe State

Authors: Rasaq Bello, Grace Akintola Sunday, Yemi Sikiru Onifade

Abstract:

Groundwater is required for the continuity of life and sustainability of the ecosystem. Hence, this research was purposed to assess groundwater quality for domestic use in Kaltungo Local Government Area, Gombe State. The work was also aimed at determining the thickness and resistivity of the topsoil, areas suitable for borehole construction, quality and potentials of groundwater in the study area. The study area extends from latitude N10015’38” - E11008’01” and longitude N10019’29” - E11013’05”. The data was acquired using the Vertical Electrical Sounding (VES) method and processed using IP12win software. Twenty (20) Vertical Electrical Soundings were carried out with a maximum current electrode separation (AB) of 150m. The VES curves generated from the data reveal that all the VES points have five to six subsurface layers. The first layer has a resistivity value of 7.5 to 364.1 Ωm and a thickness ranging from 0.8 to 7.4m, and the second layer has a resistivity value of 1.8 to 600.3 Ωm thickness ranging from 2.6 to 31.4m, the third layer has resistivity value of 23.3 to 564.4 Ωm thickness ranging from 10.3 to 77.8m, the fourth layer has resistivity value of 19.7 to 640.2 Ωm thickness ranging from 8.2m to 120.0m, the fifth layer has resistivity value of 27 to 234 Ωm thickness ranging from 8.2 to 53.7m and the six-layer is the layer that extended beyond the probing depth. The VES curves generated from the data revealed KQHA curve type for VES 1, HKQQ curve for VES 4, HKQ curve for VES 5, KHA curve for VES 11, QQHK curve for VES 12, HAA curve for VES 6 and VES 19, HAKH curve for VES 7, VES 8, VES 10 and VES 18, HKH curve for VES 2, VES 3, VES 9, VES 13, VES 14, VES 15, VES 16, VES 17 and VES 20. Values of the Coefficient of Anisotropy, Reflection Coefficient, and Resistivity Contrast obtained from the Dar-Zarrouk parameters indicated good water prospects for all the VES points in this study, with VES points 4, 9 and 18 having the highest prospects for groundwater exploration.

Keywords: formation parameters, groundwater, resistivity, resistivity contrast, vertical electrical sounding

Procedia PDF Downloads 5
4384 Optimization of Cu (In, Ga)Se₂ Based Thin Film Solar Cells: Simulation

Authors: Razieh Teimouri

Abstract:

Electrical modelling of Cu (In,Ga)Se₂ thin film solar cells is carried out with compositionally graded absorber and CdS buffer layer. Simulation results are compared with experimental data. Surface defect layers (SDL) are located in CdS/CIGS interface for improving open circuit voltage simulated structure through the analysis of the interface is investigated with or without this layer. When SDL removed, by optimizing the conduction band offset (CBO) position of the buffer/absorber layers with its recombination mechanisms and also shallow donor density in the CdS, the open circuit voltage increased significantly. As a result of simulation, excellent performance can be obtained when the conduction band of window layer positions higher by 0.2 eV than that of CIGS and shallow donor density in the CdS was found about 1×10¹⁸ (cm⁻³).

Keywords: CIGS solar cells, thin film, SCAPS, buffer layer, conduction band offset

Procedia PDF Downloads 200