Search results for: fused deposition modelling
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 2800

Search results for: fused deposition modelling

640 A Bottom-Up Approach for the Synthesis of Highly Ordered Fullerene-Intercalated Graphene Hybrids

Authors: A. Kouloumpis, P. Zygouri, G. Potsi, K. Spyrou, D. Gournis

Abstract:

Much of the research effort on graphene focuses on its use as building block for the development of new hybrid nanostructures with well-defined dimensions and behavior suitable for applications among else in gas storage, heterogeneous catalysis, gas/liquid separations, nanosensing and biology. Towards this aim, here we describe a new bottom-up approach, which combines the self-assembly with the Langmuir Schaefer technique, for the production of fullerene-intercalated graphene hybrid materials. This new method uses graphene nanosheets as a template for the grafting of various fullerene C60 molecules (pure C60, bromo-fullerenes, C60Br24, and fullerols, C60(OH)24) in a bi-dimensional array, and allows for perfect layer-by-layer growth with control at the molecular level. Our film preparation approach involves a bottom-up layer-by-layer process that includes the formation of a hybrid organo-graphene Langmuir film hosting fullerene molecules within its interlayer spacing. A dilute water solution of chemically oxidized graphene (GO) was used as subphase on the Langmuir-Blodgett deposition system while an appropriate amino surfactant (that binds covalently with the GO) was applied for the formation of hybridized organo-GO. After the horizontal lift of a hydrophobic substrate, a surface modification of the GO platelets was performed by bringing the surface of the transferred Langmuir film in contact with a second amino surfactant solution (capable to interact strongly with the fullerene derivatives). In the final step, the hybrid organo-graphene film was lowered in the solution of the appropriate fullerene derivative. Multilayer films were constructed by repeating this procedure. Hybrid fullerene-based thin films deposited on various hydrophobic substrates were characterized by X-ray diffraction (XRD) and X-ray reflectivity (XRR), FTIR, and Raman spectroscopies, Atomic Force Microscopy, and optical measurements. Acknowledgments. This research has been co‐financed by the European Union (European Social Fund – ESF) and Greek national funds through the Operational Program "Education and Lifelong Learning" of the National Strategic Reference Framework (NSRF)‐Research Funding Program: THALES. Investing in knowledge society through the European Social Fund (no. 377285).

Keywords: hybrids, graphene oxide, fullerenes, langmuir-blodgett, intercalated structures

Procedia PDF Downloads 327
639 Method of Estimating Absolute Entropy of Municipal Solid Waste

Authors: Francis Chinweuba Eboh, Peter Ahlström, Tobias Richards

Abstract:

Entropy, as an outcome of the second law of thermodynamics, measures the level of irreversibility associated with any process. The identification and reduction of irreversibility in the energy conversion process helps to improve the efficiency of the system. The entropy of pure substances known as absolute entropy is determined at an absolute reference point and is useful in the thermodynamic analysis of chemical reactions; however, municipal solid waste (MSW) is a structurally complicated material with unknown absolute entropy. In this work, an empirical model to calculate the absolute entropy of MSW based on the content of carbon, hydrogen, oxygen, nitrogen, sulphur, and chlorine on a dry ash free basis (daf) is presented. The proposed model was derived from 117 relevant organic substances which represent the main constituents in MSW with known standard entropies using statistical analysis. The substances were divided into different waste fractions; namely, food, wood/paper, textiles/rubber and plastics waste and the standard entropies of each waste fraction and for the complete mixture were calculated. The correlation of the standard entropy of the complete waste mixture derived was found to be somsw= 0.0101C + 0.0630H + 0.0106O + 0.0108N + 0.0155S + 0.0084Cl (kJ.K-1.kg) and the present correlation can be used for estimating the absolute entropy of MSW by using the elemental compositions of the fuel within the range of 10.3%  C 95.1%, 0.0%  H  14.3%, 0.0%  O  71.1%, 0.0  N  66.7%, 0.0%  S  42.1%, 0.0%  Cl  89.7%. The model is also applicable for the efficient modelling of a combustion system in a waste-to-energy plant.

Keywords: absolute entropy, irreversibility, municipal solid waste, waste-to-energy

Procedia PDF Downloads 310
638 Optimization of Maintenance of PV Module Arrays Based on Asset Management Strategies: Case of Study

Authors: L. Alejandro Cárdenas, Fernando Herrera, David Nova, Juan Ballesteros

Abstract:

This paper presents a methodology to optimize the maintenance of grid-connected photovoltaic systems, considering the cleaning and module replacement periods based on an asset management strategy. The methodology is based on the analysis of the energy production of the PV plant, the energy feed-in tariff, and the cost of cleaning and replacement of the PV modules, with the overall revenue received being the optimization variable. The methodology is evaluated as a case study of a 5.6 kWp solar PV plant located on the Bogotá campus of the Universidad Nacional de Colombia. The asset management strategy implemented consists of assessing the PV modules through visual inspection, energy performance analysis, pollution, and degradation. Within the visual inspection of the plant, the general condition of the modules and the structure is assessed, identifying dust deposition, visible fractures, and water accumulation on the bottom. The energy performance analysis is performed with the energy production reported by the monitoring systems and compared with the values estimated in the simulation. The pollution analysis is performed using the soiling rate due to dust accumulation, which can be modelled by a black box with an exponential function dependent on historical pollution values. The pollution rate is calculated with data collected from the energy generated during two years in a photovoltaic plant on the campus of the National University of Colombia. Additionally, the alternative of assessing the temperature degradation of the PV modules is evaluated by estimating the cell temperature with parameters such as ambient temperature and wind speed. The medium-term energy decrease of the PV modules is assessed with the asset management strategy by calculating the health index to determine the replacement period of the modules due to degradation. This study proposes a tool for decision making related to the maintenance of photovoltaic systems. The above, projecting the increase in the installation of solar photovoltaic systems in power systems associated with the commitments made in the Paris Agreement for the reduction of CO2 emissions. In the Colombian context, it is estimated that by 2030, 12% of the installed power capacity will be solar PV.

Keywords: asset management, PV module, optimization, maintenance

Procedia PDF Downloads 53
637 Mesoporous Titania Thin Films for Gentamicin Delivery and Bone Morphogenetic Protein-2 Immobilization

Authors: Ane Escobar, Paula Angelomé, Mihaela Delcea, Marek Grzelczak, Sergio Enrique Moya

Abstract:

The antibacterial capacity of bone-anchoring implants can be improved by the use of antibiotics that can be delivered to the media after the surgery. Mesoporous films have shown great potential in drug delivery for orthopedic applications, since pore size and thickness can be tuned to produce different surface area and free volume inside the material. This work shows the synthesis of mesoporous titania films (MTF) by sol-gel chemistry and evaporation-induced self-assembly (EISA) on top of glass substrates. Pores with a diameter of 12nm were observed by Transmission Electron Microscopy (TEM). A film thickness of 100 nm was measured by Scanning Electron Microscopy (SEM). Gentamicin was used to study the antibiotic delivery from the film by means of High-performance liquid chromatography (HPLC). The Staphilococcus aureus strand was used to evaluate the effectiveness of the penicillin loaded films toward inhibiting bacterial colonization. MC3T3-E1 pre-osteoblast cell proliferation experiments proved that MTFs have a good biocompatibility and are a suitable surface for MC3T3-E1 cell proliferation. Moreover, images taken by Confocal Fluorescence Microscopy using labeled vinculin, showed good adhesion of the MC3T3-E1 cells to the MTFs, as well as complex actin filaments arrangement. In order to improve cell proliferation Bone Morphogenetic Protein-2 (BMP-2) was adsorbed on top of the mesoporous film. The deposition of the protein was proved by measurements in the contact angle, showing an increment in the hydrophobicity while the protein concentration is higher. By measuring the dehydrogenase activity in MC3T3-E1 cells cultured in dually functionalized mesoporous titatina films with gentamicin and BMP-2 is possible to find an improvement in cell proliferation. For this purpose, the absorption of a yellow-color formazan dye, product of a water-soluble salt (WST-8) reduction by the dehydrogenases, is measured. In summary, this study proves that by means of the surface modification of MTFs with proteins and loading of gentamicin is possible to achieve an antibacterial effect and a cell growth improvement.

Keywords: antibacterial, biocompatibility, bone morphogenetic protein-2, cell proliferation, gentamicin, implants, mesoporous titania films, osteoblasts

Procedia PDF Downloads 164
636 The Performance Improvement of Solar Aided Power Generation System by Introducing the Second Solar Field

Authors: Junjie Wu, Hongjuan Hou, Eric Hu, Yongping Yang

Abstract:

Solar aided power generation (SAPG) technology has been proven as an efficient way to make use of solar energy for power generation purpose. In an SAPG plant, a solar field consisting of parabolic solar collectors is normally used to supply the solar heat in order to displace the high pressure/temperature extraction steam. To understand the performance of such a SAPG plant, a new simulation model was developed by the authors recently, in which the boiler was treated, as a series of heat exchangers unlike other previous models. Through the simulations using the new model, it was found the outlet properties of reheated steam, e.g. temperature, would decrease due to the introduction of the solar heat. The changes make the (lower stage) turbines work under off-design condition. As a result, the whole plant’s performance may not be optimal. In this paper, the second solar filed was proposed to increase the inlet temperature of steam to be reheated, in order to bring the outlet temperature of reheated steam back to the designed condition. A 600MW SAPG plant was simulated as a case study using the new model to understand the impact of the second solar field on the plant performance. It was found in the study, the 2nd solar field would improve the plant’s performance in terms of cycle efficiency and solar-to-electricity efficiency by 1.91% and 6.01%. The solar-generated electricity produced by per aperture area under the design condition was 187.96W/m2, which was 26.14% higher than the previous design.

Keywords: solar-aided power generation system, off-design performance, coal-saving performance, boiler modelling, integration schemes

Procedia PDF Downloads 290
635 Geodesign Application for Bio-Swale Design: A Data-Driven Design Approach for a Case Site in Ottawa Street North in Hamilton, Ontario, Canada

Authors: Adele Pierre, Nadia Amoroso

Abstract:

Changing climate patterns are resulting in increased in storm severity, challenging traditional methods of managing stormwater runoff. This research compares a system of bioswales to existing curb and gutter infrastructure in a post-industrial streetscape of Hamilton, Ontario. Using the geodesign process, including rule-based set parameters and an integrated approach combining geospatial information with stakeholder input, a section of Ottawa St. North was modelled to show how green infrastructure can ease the burden on aging, combined sewer systems. Qualitative data was gathered from residents of the neighbourhood through field notes, and quantitative geospatial data through GIS and site analysis. Parametric modelling was used to generate multiple design scenarios, each visualizing resulting impacts on stormwater runoff along with their calculations. The selected design scenarios offered both an aesthetically pleasing urban bioswale street-scape system while minimizing and controlling stormwater runoff. Interactive maps, videos and the 3D model were presented for stakeholder comment via ESRI’s (Environmental System Research Institute) web-scene. The results of the study demonstrate powerful tools that can assist landscape architects in designing, collaborating and communicating stormwater strategies.

Keywords: bioswale, geodesign, data-driven and rule-based design, geodesign, GIS, stormwater management

Procedia PDF Downloads 181
634 Enhancing Cybersecurity Protective Behaviour: Role of Information Security Competencies and Procedural Information Security Countermeasure Awareness

Authors: Norshima Humaidi, Saif Hussein Abdallah Alghazo

Abstract:

Cybersecurity threat have become a serious issue recently, and one of the cause is because human error, which is usually constituted by carelessness, ignorance, and failure to practice cybersecurity behaviour adequately. Using a data from a quantitative survey, Partial Least Squares-Structural Equation Modelling (PLS-SEM) analysis was used to determine the factors that affect cybersecurity protective behaviour (CPB). This study adapts cybersecurity protective behaviour model by focusing on two constructs that can enhance CPB: manager’s information security competencies (MISI) and procedural information security countermeasure (PCM) awareness. Theory of leadership competencies were adapted to measure user’s perception towards competencies among security managers/leader in the organization. Confirmatory factor analysis (CFA) testing shows that all the measurement items of each constructs were adequate in their validity individually based on their factor loading value. Moreover, each constructs are valid based on their parameter estimates and statistical significance. The quantitative research findings show that PCM awareness strongly influences CPB compared to MISI. Meanwhile, MISI was significantlyPCM awarenss. This study believes that the research findings can contribute to human behaviour in IS studies and are particularly beneficial to policy makers in improving organizations’ strategic plans in information security, especially in this new era. Most organizations spend time and resources to provide and establish strategic plans of information security; however, if employees are not willing to comply and practice information security behaviour appropriately, then these efforts are in vain.

Keywords: cybersecurity, protection behaviour, information security, information security competencies, countermeasure awareness

Procedia PDF Downloads 95
633 A Transient Coupled Numerical Analysis of the Flow of Magnetorheological Fluids in Closed Domains

Authors: Wael Elsaady, S. Olutunde Oyadiji, Adel Nasser

Abstract:

The non-linear flow characteristics of magnetorheological (MR) fluids in MR dampers are studied via a coupled numerical approach that incorporates a two-phase flow model. The approach couples the Finite Element (FE) modelling of the damper magnetic circuit, with the Computational Fluid Dynamics (CFD) analysis of the flow field in the damper. The two-phase flow CFD model accounts for the effect of fluid compressibility due to the presence of liquid and gas in the closed domain of the damper. The dynamic mesh model included in ANSYS/Fluent CFD solver is used to simulate the movement of the MR damper piston in order to perform the fluid excitation. The two-phase flow analysis is studied by both Volume-Of-Fluid (VOF) model and mixture model that are included in ANSYS/Fluent. The CFD models show that the hysteretic behaviour of MR dampers is due to the effect of fluid compressibility. The flow field shows the distributions of pressure, velocity, and viscosity contours. In particular, it shows the high non-Newtonian viscosity in the affected fluid regions by the magnetic field and the low Newtonian viscosity elsewhere. Moreover, the dependence of gas volume fraction on the liquid pressure inside the damper is predicted by the mixture model. The presented approach targets a better understanding of the complicated flow characteristics of viscoplastic fluids that could be applied in different applications.

Keywords: viscoplastic fluid, magnetic FE analysis, computational fluid dynamics, two-phase flow, dynamic mesh, user-defined functions

Procedia PDF Downloads 174
632 Air Quality Assessment for a Hot-Spot Station by Neural Network Modelling of the near-Traffic Emission-Immission Interaction

Authors: Tim Steinhaus, Christian Beidl

Abstract:

Urban air quality and climate protection are two major challenges for future mobility systems. Despite the steady reduction of pollutant emissions from vehicles over past decades, local immission load within cities partially still reaches heights, which are considered hazardous to human health. Although traffic-related emissions account for a major part of the overall urban pollution, modeling the exact interaction remains challenging. In this paper, a novel approach for the determination of the emission-immission interaction on the basis of neural network modeling for traffic induced NO2-immission load within a near-traffic hot-spot scenario is presented. In a detailed sensitivity analysis, the significance of relevant influencing variables on the prevailing NO2 concentration is initially analyzed. Based on this, the generation process of the model is described, in which not only environmental influences but also the vehicle fleet composition including its associated segment- and certification-specific real driving emission factors are derived and used as input quantities. The validity of this approach, which has been presented in the past, is re-examined in this paper using updated data on vehicle emissions and recent immission measurement data. Within the framework of a final scenario analysis, the future development of the immission load is forecast for different developments in the vehicle fleet composition. It is shown that immission levels of less than half of today’s yearly average limit values are technically feasible in hot-spot situations.

Keywords: air quality, emission, emission-immission-interaction, immission, NO2, zero impact

Procedia PDF Downloads 126
631 Stress Analysis of Buried Pipes from Soil and Traffic Loads

Authors: A. Mohamed, A. El-Hamalawi, M. Frost, A. Connell

Abstract:

Often design standards do not provide guidance or formulae for the calculation of stresses on buried pipelines caused by external loads. Frequently engineers rely on other methods and published sources of information to calculate such imposed stresses and a variety of methods can be used. This paper reviews three current approaches to soil pipeline interaction modelling to predict stresses on buried pipelines subjected to soil overburden and traffic loading. The traditional approach to use empirical stress formulas to calculate circumferential bending stresses on pipelines. The alternative approaches considered are the use of a finite element package to compute an estimate of circumferential bending stress and a proprietary stress analysis system (SURFLOAD) to estimate the circumferential bending stress. The results from analysis using the methods are presented and compared to experimental results in terms of predicted and measured circumferential stresses. This study shows that the approach used to assess externally generated stress is important and can lead to an over-conservative analysis. Using FE analysis either through SURFLOAD or a general FE package to predict circumferential stress is the most accurate way to undertake stress analysis due to traffic and soil loads. Although conservative, classical empirical methods will continue to be applied to the analysis of buried pipelines, an opportunity exists, therefore, in many circumstances, to use applied numerical techniques, made possible by advances in finite element analysis.

Keywords: buried pipelines, circumferential bending stress, finite element analysis, soil overburden, soil pipeline interaction analysis (SPIA), traffic loadings

Procedia PDF Downloads 441
630 Children Asthma; The Role of Molecular Pathways and Novel Saliva Biomarkers Assay

Authors: Seyedahmad Hosseini, Mohammadjavad Sotoudeheian

Abstract:

Introduction: Allergic asthma is a heterogeneous immuno-inflammatory disease based on Th-2-mediated inflammation. Histopathologic abnormalities of the airways characteristic of asthma include epithelial damage and subepithelial collagen deposition. Objectives: Human bronchial epithelial cell genome expression of TNF‑α, IL‑6, ICAM‑1, VCAM‑1, nuclear factor (NF)‑κB signaling pathways up-regulate during inflammatory cascades. Moreover, immunofluorescence assays confirmed the nuclear translocation of NF‑κB p65 during inflammatory responses. An absolute LDH leakage assays suggestedLPS-inducedcells injury, and the associated mechanisms are co-incident events. LPS-induced phosphorylation of ERKand JNK causes inflammation in epithelial cells through inhibition of ERK and JNK activation and NF-κB signaling pathway. Furthermore, the inhibition of NF-κB mRNA expression and the nuclear translocation of NF-κB lead to anti-inflammatory events. Likewise, activation of SUMF2 which inhibits IL-13 and reduces Th2-cytokines, NF-κB, and IgE levels to ameliorate asthma. On the other hand, TNFα-induced mucus production reduced NF-κB activation through inhibition of the activation status of Rac1 and IκBα phosphorylation. In addition, bradykinin B2 receptor (B2R), which mediates airway remodeling, regulates through NF-κB. Bronchial B2R expression is constitutively elevated in allergic asthma. In addition, certain NF-κB -dependent chemokines function to recruit eosinophils in the airway. Besides, bromodomain containing 4 (BRD4) plays a significant role in mediating innate immune response in human small airway epithelial cells as well as transglutaminase 2 (TG2), which is detectable in saliva. So, the guanine nucleotide-binding regulatory protein α-subunit, Gα16, expresses a κB-driven luciferase reporter. This response was accompanied by phosphorylation of IκBα. Furthermore, expression of Gα16 in saliva markedly enhanced TNF-α-induced κB reporter activity. Methods: The applied method to form NF-κB activation is the electromobility shift assay (EMSA). Also, B2R-BRD4-TG2 complex detection by immunoassay method within saliva with EMSA of NF-κB activation may be a novel biomarker for asthma diagnosis and follow up. Conclusion: This concept introduces NF-κB signaling pathway as potential asthma biomarkers and promising targets for the development of new therapeutic strategies against asthma.

Keywords: NF-κB, asthma, saliva, T-helper

Procedia PDF Downloads 97
629 Preparation and Modeling Carbon Nanofibers as an Adsorbent to Protect the Environment

Authors: Maryam Ziaei, Saeedeh Rafiei, Leila Mivehi, Akbar Khodaparast Haghi

Abstract:

Carbon nanofibers possess properties that are rarely present in any other types of carbon adsorbents, including a small cross-sectional area, combined with a multitude of slit shaped nanopores that are suitable for adsorption of certain types of molecules. Because of their unique properties these materials can be used for the selective adsorption of organic molecules. On the other hand, activated carbon fiber (ACF) has been widely applied as an effective adsorbent for micro-pollutants in recent years. ACF effectively adsorbs and removes a full spectrum of harmful substances. Although there are various methods of fabricating carbon nanofibres, electrospinning is perhaps the most versatile procedure. This technique has been given great attention in current decades because of the nearly simple, comfortable and low cost. Spinning process control and achieve optimal conditions is important in order to effect on its physical properties, absorbency and versatility with different industrial purposes. Modeling and simulation are suitable methods to obtain this approach. In this paper, activated carbon nanofibers were produced during electrospinning of polyacrylonitrile solution. Stabilization, carbonization and activation of electrospun nanofibers in optimized conditions were achieved, and mathematical modelling of electrosinning process done by focusing on governing equations of electrified fluid jet motion (using FeniCS software). Experimental and theoretical results will be compared with each other in order to estimate the accuracy of the model. The simulation can provide the possibility of predicting essential parameters, which affect the electrospinning process.

Keywords: carbon nanofibers, electrospinning, electrospinning modeling, simulation

Procedia PDF Downloads 287
628 Extracting Terrain Points from Airborne Laser Scanning Data in Densely Forested Areas

Authors: Ziad Abdeldayem, Jakub Markiewicz, Kunal Kansara, Laura Edwards

Abstract:

Airborne Laser Scanning (ALS) is one of the main technologies for generating high-resolution digital terrain models (DTMs). DTMs are crucial to several applications, such as topographic mapping, flood zone delineation, geographic information systems (GIS), hydrological modelling, spatial analysis, etc. Laser scanning system generates irregularly spaced three-dimensional cloud of points. Raw ALS data are mainly ground points (that represent the bare earth) and non-ground points (that represent buildings, trees, cars, etc.). Removing all the non-ground points from the raw data is referred to as filtering. Filtering heavily forested areas is considered a difficult and challenging task as the canopy stops laser pulses from reaching the terrain surface. This research presents an approach for removing non-ground points from raw ALS data in densely forested areas. Smoothing splines are exploited to interpolate and fit the noisy ALS data. The presented filter utilizes a weight function to allocate weights for each point of the data. Furthermore, unlike most of the methods, the presented filtering algorithm is designed to be automatic. Three different forested areas in the United Kingdom are used to assess the performance of the algorithm. The results show that the generated DTMs from the filtered data are accurate (when compared against reference terrain data) and the performance of the method is stable for all the heavily forested data samples. The average root mean square error (RMSE) value is 0.35 m.

Keywords: airborne laser scanning, digital terrain models, filtering, forested areas

Procedia PDF Downloads 139
627 Numerical Investigation of a Spiral Bladed Tidal Turbine

Authors: Mohammad Fereidoonnezhad, Seán Leen, Stephen Nash, Patrick McGarry

Abstract:

From the perspective of research innovation, the tidal energy industry is still in its early stages. While a very small number of turbines have progressed to utility-scale deployment, blade breakage is commonly reported due to the enormous hydrodynamic loading applied to devices. The aim of this study is the development of computer simulation technologies for the design of next-generation fibre-reinforced composite tidal turbines. This will require significant technical advances in the areas of tidal turbine testing and multi-scale computational modelling. The complex turbine blade profiles are designed to incorporate non-linear distributions of airfoil sections to optimize power output and self-starting capability while reducing power fluctuations. A number of candidate blade geometries are investigated, ranging from spiral geometries to parabolic geometries, with blades arranged in both cylindrical and spherical configurations on a vertical axis turbine. A combined blade element theory (BET-start-up model) is developed in MATLAB to perform computationally efficient parametric design optimisation for a range of turbine blade geometries. Finite element models are developed to identify optimal fibre-reinforced composite designs to increase blade strength and fatigue life. Advanced fluid-structure-interaction models are also carried out to compute blade deflections following design optimisation.

Keywords: tidal turbine, composite materials, fluid-structure-interaction, start-up capability

Procedia PDF Downloads 122
626 An Criterion to Minimize FE Mesh-Dependency in Concrete Plate Subjected to Impact Loading

Authors: Kwak, Hyo-Gyung, Gang, Han Gul

Abstract:

In the context of an increasing need for reliability and safety in concrete structures under blast and impact loading condition, the behavior of concrete under high strain rate condition has been an important issue. Since concrete subjected to impact loading associated with high strain rate shows quite different material behavior from that in the static state, several material models are proposed and used to describe the high strain rate behavior under blast and impact loading. In the process of modelling, in advance, mesh dependency in the used finite element (FE) is the key problem because simulation results under high strain-rate condition are quite sensitive to applied FE mesh size. It means that the accuracy of simulation results may deeply be dependent on FE mesh size in simulations. This paper introduces an improved criterion which can minimize the mesh-dependency of simulation results on the basis of the fracture energy concept, and HJC (Holmquist Johnson Cook), CSC (Continuous Surface Cap) and K&C (Karagozian & Case) models are examined to trace their relative sensitivity to the used FE mesh size. To coincide with the purpose of the penetration test with a concrete plate under a projectile (bullet), the residual velocities of projectile after penetration are compared. The correlation studies between analytical results and the parametric studies associated with them show that the variation of residual velocity with the used FE mesh size is quite reduced by applying a unique failure strain value determined according to the proposed criterion.

Keywords: high strain rate concrete, penetration simulation, failure strain, mesh-dependency, fracture energy

Procedia PDF Downloads 521
625 The Creation of Calcium Phosphate Coating on Nitinol Substrate

Authors: Kirill M. Dubovikov, Ekaterina S. Marchenko, Gulsharat A. Baigonakova

Abstract:

NiTi alloys are widely used as implants in medicine due to their unique properties such as superelasticity, shape memory effect and biocompatibility. However, despite these properties, one of the major problems is the release of nickel after prolonged use in the human body under dynamic stress. This occurs due to oxidation and cracking of NiTi implants, which provokes nickel segregation from the matrix to the surface and release into living tissues. As we know, nickel is a toxic element and can cause cancer, allergies, etc. One of the most popular ways to solve this problem is to create a corrosion resistant coating on NiTi. There are many coatings of this type, but not all of them have good biocompatibility, which is very important for medical implants. Coatings based on calcium phosphate phases have excellent biocompatibility because Ca and P are the main constituents of the mineral part of human bone. This fact suggests that a Ca-P coating on NiTi can enhance osteogenesis and accelerate the healing process. Therefore, the aim of this study is to investigate the structure of Ca-P coating on NiTi substrate. Plasma assisted radio frequency (RF) sputtering was used to obtain this film. This method was chosen because it allows the crystallinity and morphology of the Ca-P coating to be controlled by the sputtering parameters. It allows us to obtain three different NiTi samples with Ca-P coating. XRD, AFM, SEM and EDS were used to study the composition, structure and morphology of the coating phase. Scratch tests were carried out to evaluate the adhesion of the coating to the substrate. Wettability tests were used to investigate the hydrophilicity of the different coatings and to suggest which of them had better biocompatibility. XRD showed that the coatings of all samples were hydroxyapatite, but the matrix was represented by TiNi intermetallic compounds such as B2, Ti2Ni and Ni3Ti. The SEM shows that the densest and defect-free coating has only one sample after three hours of sputtering. Wettability tests show that the sample with the densest coating has the lowest contact angle of 40.2° and the largest free surface area of 57.17 mJ/m2, which is mostly disperse. A scratch test was carried out to investigate the adhesion of the coating to the surface and it was shown that all coatings were removed by a cohesive mechanism. However, at a load of 30N, the indenter reached the substrate in two out of three samples, except for the sample with the densest coating. It was concluded that the most promising sputtering mode was the third, which consisted of three hours of deposition. This mode produced a defect-free Ca-P coating with good wettability and adhesion.

Keywords: biocompatibility, calcium phosphate coating, NiTi alloy, radio frequency sputtering.

Procedia PDF Downloads 72
624 Soil Salinity from Wastewater Irrigation in Urban Greenery

Authors: H. Nouri, S. Chavoshi Borujeni, S. Anderson, S. Beecham, P. Sutton

Abstract:

The potential risk of salt leaching through wastewater irrigation is of concern for most local governments and city councils. Despite the necessity of salinity monitoring and management in urban greenery, most attention has been on agricultural fields. This study was defined to investigate the capability and feasibility of monitoring and predicting soil salinity using near sensing and remote sensing approaches using EM38 surveys, and high-resolution multispectral image of WorldView3. Veale Gardens within the Adelaide Parklands was selected as the experimental site. The results of the near sensing investigation were validated by testing soil salinity samples in the laboratory. Over 30 band combinations forming salinity indices were tested using image processing techniques. The outcomes of the remote sensing and near sensing approaches were compared to examine whether remotely sensed salinity indicators could map and predict the spatial variation of soil salinity through a potential statistical model. Statistical analysis was undertaken using the Stata 13 statistical package on over 52,000 points. Several regression models were fitted to the data, and the mixed effect modelling was selected the most appropriate one as it takes to account the systematic observation-specific unobserved heterogeneity. Results showed that SAVI (Soil Adjusted Vegetation Index) was the only salinity index that could be considered as a predictor for soil salinity but further investigation is needed. However, near sensing was found as a rapid, practical and realistically accurate approach for salinity mapping of heterogeneous urban vegetation.

Keywords: WorldView3, remote sensing, EM38, near sensing, urban green spaces, green smart cities

Procedia PDF Downloads 162
623 Mathematical Modelling and AI-Based Degradation Analysis of the Second-Life Lithium-Ion Battery Packs for Stationary Applications

Authors: Farhad Salek, Shahaboddin Resalati

Abstract:

The production of electric vehicles (EVs) featuring lithium-ion battery technology has substantially escalated over the past decade, demonstrating a steady and persistent upward trajectory. The imminent retirement of electric vehicle (EV) batteries after approximately eight years underscores the critical need for their redirection towards recycling, a task complicated by the current inadequacy of recycling infrastructures globally. A potential solution for such concerns involves extending the operational lifespan of electric vehicle (EV) batteries through their utilization in stationary energy storage systems during secondary applications. Such adoptions, however, require addressing the safety concerns associated with batteries’ knee points and thermal runaways. This paper develops an accurate mathematical model representative of the second-life battery packs from a cell-to-pack scale using an equivalent circuit model (ECM) methodology. Neural network algorithms are employed to forecast the degradation parameters based on the EV batteries' aging history to develop a degradation model. The degradation model is integrated with the ECM to reflect the impacts of the cycle aging mechanism on battery parameters during operation. The developed model is tested under real-life load profiles to evaluate the life span of the batteries in various operating conditions. The methodology and the algorithms introduced in this paper can be considered the basis for Battery Management System (BMS) design and techno-economic analysis of such technologies.

Keywords: second life battery, electric vehicles, degradation, neural network

Procedia PDF Downloads 65
622 Geochemistry and Petrogenesis of Anorogenic Acid Plutonic Rocks of Khanak and Devsar of Southwestern Haryana

Authors: Naresh Kumar, Radhika Sharma, A. K. Singh

Abstract:

Acid plutonic rocks from the Khanak and Devsar areas of southwestern Haryana were investigated to understand their geochemical and petrogenetic characteristics and tectonic environments. Three dominant rock types (grey, grayish green and pink granites) are the principal geochemical features of Khanak and Devsar areas which reflect the dependencies of their composition on varied geological environment during the anorogenic magmatism. These rocks are enriched in SiO₂, Na₂O+K₂O, Fe/Mg, Rb, Zr, Y, Th, U, REE (Rare Earth Elements) enriched and depleted in MgO, CaO, Sr, P, Ti, Ni, Cr, V and Eu and exhibit a clear affinity to the within-plate granites that were emplaced in an extensional tectonic environment. Chondrite-normalized REE patterns show enriched LREE (Light Rare Earth Elements), moderate to strong negative Eu anomalies and flat heavy REE and grey and grayish green is different from pink granite which is enriched by Rb, Ga, Nb, Th, U, Y and HREE (Heavy Rare Earth Elements) concentrations. The composition of parental magma of both areas corresponds to mafic source contaminated with crustal materials. Petrogenetic modelling suggest that the acid plutonic rocks might have been generated from a basaltic source by partial melting (15-25%) leaving a residue with 35% plagioclase, 25% alkali feldspar, 25% quartz, 7% orthopyroxene, 5% biotite and 3% hornblende. Granites from both areas might be formed from different sources with different degree of melting for grey, grayish green and pink granites.

Keywords: A-type granite, anorogenic, Malani igneous suite, Khanak and Devsar

Procedia PDF Downloads 177
621 Building Information Management in Context of Urban Spaces, Analysis of Current Use and Possibilities

Authors: Lucie Jirotková, Daniel Macek, Andrea Palazzo, Veronika Malinová

Abstract:

Currently, the implementation of 3D models in the construction industry is gaining popularity. Countries around the world are developing their own modelling standards and implement the use of 3D models into their individual permitting processes. Another theme that needs to be addressed are public building spaces and their subsequent maintenance, where the usage of BIM methodology is directly offered. The significant benefit of the implementation of Building Information Management is the information transfer. The 3D model contains not only the spatial representation of the item shapes but also various parameters that are assigned to the individual elements, which are easily traceable, mainly because they are all stored in one place in the BIM model. However, it is important to keep the data in the models up to date to achieve useability of the model throughout the life cycle of the building. It is now becoming standard practice to use BIM models in the construction of buildings, however, the building environment is very often neglected. Especially in large-scale development projects, the public space of buildings is often forwarded to municipalities, which obtains the ownership and are in charge of its maintenance. A 3D model of the building surroundings would include both the above-ground visible elements of the development as well as the underground parts, such as the technological facilities of water features, electricity lines for public lighting, etc. The paper shows the possibilities of a model in the field of information for the handover of premises, the following maintenance and decision making. The attributes and spatial representation of the individual elements make the model a reliable foundation for the creation of "Smart Cities". The paper analyses the current use of the BIM methodology and presents the state-of-the-art possibilities of development.

Keywords: BIM model, urban space, BIM methodology, facility management

Procedia PDF Downloads 124
620 Influence of Surface Wettability on Imbibition Dynamics of Protein Solution in Microwells

Authors: Himani Sharma, Amit Agrawal

Abstract:

Stability of the Cassie and Wenzel wetting states depends on intrinsic contact angle and geometric features on a surface that was exploited in capturing biofluids in microwells. However, the mechanism of imbibition of biofluids in the microwells is not well implied in terms of wettability of a substrate. In this work, we experimentally demonstrated filling dynamics in hydrophilic and hydrophobic microwells by protein solutions. Towards this, we utilized lotus leaf as a mold to fabricate microwells on a Polydimethylsiloxane (PDMS) surface. Lotus leaf containing micrometer-sized blunt-conical shaped pillars with a height of 8-15 µm and diameter of 3-8 µm were transferred on to PDMS. Furthermore, PDMS surface was treated with oxygen plasma to render the hydrophilic nature. A 10µL droplets containing fluorescein isothiocyanate (FITC) - labelled bovine serum albumin (BSA) were rested on both hydrophobic (θa = 108o, where θa is the apparent contact angle) and hydrophilic (θa = 60o) PDMS surfaces. A time-dependent fluorescence microscopy was conducted on these modified PDMS surfaces by recording the fluorescent intensity over a 5 minute period. It was observed that, initially (at t=1 min) FITC-BSA was accumulated on the periphery of both hydrophilic and hydrophobic microwells due to incomplete penetration of liquid-gas meniscus. This deposition of FITC-BSA on periphery of microwell was not changed with time for hydrophobic surfaces, whereas, a complete filling was occurred in hydrophilic microwells (at t=5 mins). This attributes to a gradual movement of three-phase contact line along the vertical surface of the hydrophilic microwells as compared to stable pinning in the hydrophobic microwells as confirmed by Surface Evolver simulations. In addition, if the cavities are presented on hydrophobic surfaces, air bubbles will be trapped inside the cavities once the aqueous solution is placed over these surfaces, resulting in the Cassie-Baxter wetting state. This condition hinders trapping of proteins inside the microwells. Thus, it is necessary to impart hydrophilicity to the microwell surfaces so as to induce the Wenzel state, such that, an entire solution will be fully in contact with the walls of microwells. Imbibition of microwells by protein solutions was analyzed in terms fluorescent intensity versus time. The present work underlines the importance of geometry of microwells and surface wettability of substrate in wetting and effective capturing of solid sub-phases in biofluids.

Keywords: BSA, microwells, surface evolver, wettability

Procedia PDF Downloads 198
619 Sustainable Manufacturing Industries and Energy-Water Nexus Approach

Authors: Shahbaz Abbas, Lin Han Chiang Hsieh

Abstract:

The significant population growth and climate change issues have contributed to the natural resources depletion and their sustainability in the future. Manufacturing industries have a substantial impact on every country’s economy, but the sustainability of the industrial resources is challenging, and the policymakers have been developing the possible solutions to manage the sustainability of industrial resources such as raw material, energy, water, and industrial supply chain. In order to address these challenges, nexus approach is one of the optimization and modelling techniques in the recent sustainable environmental research. The interactions between the nexus components acknowledge that all components are dependent upon each other, and they are interrelated; therefore, their sustainability is also associated with each other. In addition, the nexus concept does not only provide the resources sustainability but also environmental sustainability can be achieved through nexus approach by utilizing the industrial waste as a resource for the industrial processes. Based on energy-water nexus, this study has developed a resource-energy-water for the sugar industry to understand the interactions between sugarcane, energy, and water towards the sustainable sugar industry. In particular, the focus of the research is the Taiwanese sugar industry; however, the same approach can be adapted worldwide to optimize the sustainability of sugar industries. It has been concluded that there are significant interactions between sugarcane, energy consumption, and water consumption in the sugar industry to manage the scarcity of resources in the future. The interactions between sugarcane and energy also deliver a mechanism to reuse the sugar industrial waste as a source of energy, consequently validating industrial and environmental sustainability. The desired outcomes from the nexus can be achieved with the modifications in the policy and regulations of Taiwanese industrial sector.

Keywords: energy-water nexus, environmental sustainability, industrial sustainability, natural resource management

Procedia PDF Downloads 125
618 Physical Tests on Localized Fluidization in Offshore Suction Bucket Foundations

Authors: Li-Hua Luu, Alexis Doghmane, Abbas Farhat, Mohammad Sanayei, Pierre Philippe, Pablo Cuellar

Abstract:

Suction buckets are promising innovative foundations for offshore wind turbines. They generally feature the shape of an inverted bucket and rely on a suction system as a driving agent for their installation into the seabed. Water is pumped out of the buckets that are initially placed to rest on the seabed, creating a net pressure difference across the lid that generates a seepage flow, lowers the soil resistance below the foundation skirt, and drives them effectively into the seabed. The stability of the suction mechanism as well as the possibility of a piping failure (i.e., localized fluidization within the internal soil plug) during their installation are some of the key questions that remain open. The present work deals with an experimental study of localized fluidization by suction within a fixed bucket partially embedded into a submerged artificial soil made of spherical beads. The transient process, from the onset of granular motion until reaching a stationary regime for the fluidization at the embedded bucket wall, is recorded using the combined optical techniques of planar laser-induced fluorescence and refractive index matching. To conduct a systematic study of the piping threshold for the seepage flow, we vary the beads size, the suction pressure, and the initial depth for the bucket. This experimental modelling, by dealing with erosion-related phenomena from a micromechanical perspective, shall provide qualitative scenarios for the local processes at work which are missing in the offshore practice so far.

Keywords: fluidization, micromechanical approach, offshore foundations, suction bucket

Procedia PDF Downloads 182
617 The Effect of Socio-Affective Variables in the Relationship between Organizational Trust and Employee Turnover Intention

Authors: Paula A. Cruise, Carvell McLeary

Abstract:

Employee turnover leads to lowered productivity, decreased morale and work quality, and psychological effects associated with employee separation and replacement. Yet, it remains unknown why talented employees willingly withdraw from organizations. This uncertainty is worsened as studies; a) priorities organizational over individual predictors resulting in restriction in range in turnover measurement; b) focus on actual rather than intended turnover thereby limiting conceptual understanding of the turnover construct and its relationship with other variables and; c) produce inconsistent findings across cultures, contexts and industries despite a clear need for a unified perspective. The current study addressed these gaps by adopting the theory of planned behavior (TPB) framework to examine socio-cognitive factors in organizational trust and individual turnover intentions among bankers and energy employees in Jamaica. In a comparative study of n=369 [nbank= 264; male=57 (22.73%); nenergy =105; male =45 (42.86)], it was hypothesized that organizational trust was a predictor of employee turnover intention, and the effect of individual, group, cognitive and socio-affective variables varied across industry. Findings from structural equation modelling confirmed the hypothesis, with a model of both cognitive and socio-affective variables being a better fit [CMIN (χ2) = 800.067, df = 364, p ≤ .000; CFI = 0.950; RMSEA = 0.057 with 90% C.I. (0.052 - 0.062); PCLOSE = 0.016; PNFI = 0.818 in predicting turnover intention. The findings are discussed in relation to socio-cognitive components of trust models and predicting negative employee behaviors across cultures and industries.

Keywords: context-specific organizational trust, cross-cultural psychology, theory of planned behavior, employee turnover intention

Procedia PDF Downloads 248
616 Land Suitability Prediction Modelling for Agricultural Crops Using Machine Learning Approach: A Case Study of Khuzestan Province, Iran

Authors: Saba Gachpaz, Hamid Reza Heidari

Abstract:

The sharp increase in population growth leads to more pressure on agricultural areas to satisfy the food supply. To achieve this, more resources should be consumed and, besides other environmental concerns, highlight sustainable agricultural development. Land-use management is a crucial factor in obtaining optimum productivity. Machine learning is a widely used technique in the agricultural sector, from yield prediction to customer behavior. This method focuses on learning and provides patterns and correlations from our data set. In this study, nine physical control factors, namely, soil classification, electrical conductivity, normalized difference water index (NDWI), groundwater level, elevation, annual precipitation, pH of water, annual mean temperature, and slope in the alluvial plain in Khuzestan (an agricultural hotspot in Iran) are used to decide the best agricultural land use for both rainfed and irrigated agriculture for ten different crops. For this purpose, each variable was imported into Arc GIS, and a raster layer was obtained. In the next level, by using training samples, all layers were imported into the python environment. A random forest model was applied, and the weight of each variable was specified. In the final step, results were visualized using a digital elevation model, and the importance of all factors for each one of the crops was obtained. Our results show that despite 62% of the study area being allocated to agricultural purposes, only 42.9% of these areas can be defined as a suitable class for cultivation purposes.

Keywords: land suitability, machine learning, random forest, sustainable agriculture

Procedia PDF Downloads 84
615 Influence of Foundation Size on Seismic Response of Mid-rise Buildings Considering Soil-Structure-Interaction

Authors: Quoc Van Nguyen, Behzad Fatahi, Aslan S. Hokmabadi

Abstract:

Performance based seismic design is a modern approach to earthquake-resistant design shifting emphasis from “strength” to “performance”. Soil-Structure Interaction (SSI) can influence the performance level of structures significantly. In this paper, a fifteen storey moment resisting frame sitting on a shallow foundation (footing) with different sizes is simulated numerically using ABAQUS software. The developed three dimensional numerical simulation accounts for nonlinear behaviour of the soil medium by considering the variation of soil stiffness and damping as a function of developed shear strain in the soil elements during earthquake. Elastic-perfectly plastic model is adopted to simulate piles and structural elements. Quiet boundary conditions are assigned to the numerical model and appropriate interface elements, capable of modelling sliding and separation between the foundation and soil elements, are considered. Numerical results in terms of base shear, lateral deformations, and inter-storey drifts of the structure are compared for the cases of soil-structure interaction system with different foundation sizes as well as fixed base condition (excluding SSI). It can be concluded that conventional design procedures excluding SSI may result in aggressive design. Moreover, the size of the foundation can influence the dynamic characteristics and seismic response of the building due to SSI and should therefore be given careful consideration in order to ensure a safe and cost effective seismic design.

Keywords: soil-structure-interaction, seismic response, shallow foundation, abaqus, rayleigh damping

Procedia PDF Downloads 507
614 Theoretical Framework for Value Creation in Project Oriented Companies

Authors: Mariusz Hofman

Abstract:

The paper ‘Theoretical framework for value creation in Project-Oriented Companies’ is designed to determine, how organisations create value and whether this allows them to achieve market success. An assumption has been made that there are two routes to achieving this value. The first one is to create intangible assets (i.e. the resources of human, structural and relational capital), while the other one is to create added value (understood as the surplus of revenue over costs). It has also been assumed that the combination of the achieved added value and unique intangible assets translates to the success of a project-oriented company. The purpose of the paper is to present hypothetical and deductive model which describing the modus operandi of such companies and approach to model operationalisation. All the latent variables included in the model are theoretical constructs with observational indicators (measures). The existence of a latent variable (construct) and also submodels will be confirmed based on a covariance matrix which in turn is based on empirical data, being a set of observational indicators (measures). This will be achieved with a confirmatory factor analysis (CFA). Due to this statistical procedure, it will be verified whether the matrix arising from the adopted theoretical model differs statistically from the empirical matrix of covariance arising from the system of equations. The fit of the model with the empirical data will be evaluated using χ2, RMSEA and CFI (Comparative Fit Index). How well the theoretical model fits the empirical data is assessed through a number of indicators. If the theoretical conjectures are confirmed, an interesting development path can be defined for project-oriented companies. This will let such organisations perform efficiently in the face of the growing competition and pressure on innovation.

Keywords: value creation, project-oriented company, structural equation modelling

Procedia PDF Downloads 298
613 Elastoplastic Collapse Analysis of Pipe Bends Using Finite Element Analysis

Authors: Tawanda Mushiri, Charles Mbohwa

Abstract:

When an external load is applied to one of its ends, a pipe’s bends cross section tends to deform significantly both in and out of its end plane. This shell type behaviour characteristic of pipe bends and mainly due to their curves geometry accounts for their greater flexibility. This added flexibility is also accompanied by stressed and strains that are much higher than those present in a straight pipe. The primary goal of this research is to study the elastic-plastic behaviour of pipe bends under out of plane moment loading. It is also required to study the effects of changing the value of the pipe bend factor and the value of the internal pressure on that behaviour and to determine the value of the limit moments in each case. The results of these analyses are presented in the form of load deflection plots for each load case belonging to each model. From the load deflection curves, the limit moments of each case are obtained. The limit loads are then compared to those computed using some of the analytical and empirical equation available in the literature. The effects of modelling parameters are also studied. The results obtained from small displacement and large displacement analyses are compared and the effects of using a strain hardened material model are also investigated. To better understand the behaviour of pipe elbows under out of plane bending and internal pressure, it was deemed important to know how the cross section deforms and to study the distribution of stresses that cause it to deform in a particular manner. An elbow with pipe bend factor h=0.1 to h=1 is considered and the results of the detailed analysis are thereof examined.

Keywords: elasto-plastic, finite element analysis, pipe bends, simulation

Procedia PDF Downloads 325
612 Effects of Different Meteorological Variables on Reference Evapotranspiration Modeling: Application of Principal Component Analysis

Authors: Akinola Ikudayisi, Josiah Adeyemo

Abstract:

The correct estimation of reference evapotranspiration (ETₒ) is required for effective irrigation water resources planning and management. However, there are some variables that must be considered while estimating and modeling ETₒ. This study therefore determines the multivariate analysis of correlated variables involved in the estimation and modeling of ETₒ at Vaalharts irrigation scheme (VIS) in South Africa using Principal Component Analysis (PCA) technique. Weather and meteorological data between 1994 and 2014 were obtained both from South African Weather Service (SAWS) and Agricultural Research Council (ARC) in South Africa for this study. Average monthly data of minimum and maximum temperature (°C), rainfall (mm), relative humidity (%), and wind speed (m/s) were the inputs to the PCA-based model, while ETₒ is the output. PCA technique was adopted to extract the most important information from the dataset and also to analyze the relationship between the five variables and ETₒ. This is to determine the most significant variables affecting ETₒ estimation at VIS. From the model performances, two principal components with a variance of 82.7% were retained after the eigenvector extraction. The results of the two principal components were compared and the model output shows that minimum temperature, maximum temperature and windspeed are the most important variables in ETₒ estimation and modeling at VIS. In order words, ETₒ increases with temperature and windspeed. Other variables such as rainfall and relative humidity are less important and cannot be used to provide enough information about ETₒ estimation at VIS. The outcome of this study has helped to reduce input variable dimensionality from five to the three most significant variables in ETₒ modelling at VIS, South Africa.

Keywords: irrigation, principal component analysis, reference evapotranspiration, Vaalharts

Procedia PDF Downloads 258
611 Bio-Guided of Active New Alkaloids from Alstonia Brassi Toxicity Antitumour Activity in Silico and Molecular Modeling

Authors: Mesbah Khaled, Bouraoui Ouissal, Benkiniouar Rachid, Belkhiri Lotfi

Abstract:

Alstonia, which are tropical plants with a wide geographical distribution, have been divided into different sections by different authors based on previous studies of several species within the genus. Monachino divides Alstonia into 5 sections, while Pichon divides it into 3 sections. Several plants belonging to this genus, such as Alstonia brassii, have been used in traditional folk medicine to treat ailments such as fever, malaria and dysentery]. Previous studies focusing on the chemical composition of these plants have successfully identified indol alkaloids with cytotoxic, anti-diabetic and anti-inflammatory properties. The newly discovered monomers are structurally similar to the backbones of picralin, affinisin and macrolin. On the other hand, all recently isolated dimeric compounds have a macrolin moiety. In this study, a computational analysis was performed on a series of novel molecules, including both monomeric and dimeric compounds with different structural frameworks. This investigation represents the first computational study of these molecules using an in silico approach incorporating 2D-QSAR data. The analysis involved various computational techniques, including 2D-QSAR modelling, molecular docking studies and subsequent validation by molecular dynamics simulation and assessment of ADMET properties. The chemical composition was identified by 1D and 2D NMR. Eight new alkaloids were isolated, 5 monomers and 3 dimers. In this section, we focus on the biological activity of 4 new alkaloids belonging to two different skeletons, the affinisine skeleton.

Keywords: affinisine, talcarpine, macroline, cytotoxicity, alkaloids

Procedia PDF Downloads 360