Search results for: chemical oxygen demand (COD)
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 8289

Search results for: chemical oxygen demand (COD)

1929 Atmospheric CO2 Capture via Temperature/Vacuum Swing Adsorption in SIFSIX-3-Ni

Authors: Eleni Tsalaporta, Sebastien Vaesen, James M. D. MacElroy, Wolfgang Schmitt

Abstract:

Carbon dioxide capture has attracted the attention of many governments, industries and scientists over the last few decades, due to the rapid increase in atmospheric CO2 composition, with several studies being conducted in this area over the last few years. In many of these studies, CO2 capture in complex Pressure Swing Adsorption (PSA) cycles has been associated with high energy consumption despite the promising capture performance of such processes. The purpose of this study is the economic capture of atmospheric carbon dioxide for its transformation into a clean type of energy. A single column Temperature /Vacuum Swing Adsorption (TSA/VSA) process is proposed as an alternative option to multi column Pressure Swing Adsorption (PSA) processes. The proposed adsorbent is SIFSIX-3-Ni, a newly developed MOF (Metal Organic Framework), with extended CO2 selectivity and capacity. There are three stages involved in this paper: (i) SIFSIX-3-Ni is synthesized and pelletized and its physical and chemical properties are examined before and after the pelletization process, (ii) experiments are designed and undertaken for the estimation of the diffusion and adsorption parameters and limitations for CO2 undergoing capture from the air; and (iii) the CO2 adsorption capacity and dynamical characteristics of SIFSIX-3-Ni are investigated both experimentally and mathematically by employing a single column TSA/VSA, for the capture of atmospheric CO2. This work is further supported by a technical-economical study for the estimation of the investment cost and the energy consumption of the single column TSA/VSA process. The simulations are performed using gProms.

Keywords: carbon dioxide capture, temperature/vacuum swing adsorption, metal organic frameworks, SIFSIX-3-Ni

Procedia PDF Downloads 246
1928 A Textile-Based Scaffold for Skin Replacements

Authors: Tim Bolle, Franziska Kreimendahl, Thomas Gries, Stefan Jockenhoevel

Abstract:

The therapeutic treatment of extensive, deep wounds is limited. Autologous split-skin grafts are used as a so-called ‘gold standard’. Most common deficits are the defects at the donor site, the risk of scarring as well as the limited availability and quality of the autologous grafts. The aim of this project is a tissue engineered dermal-epidermal skin replacement to overcome the limitations of the gold standard. A key requirement for the development of such a three-dimensional implant is the formation of a functional capillary-like network inside the implant to ensure a sufficient nutrient and gas supply. Tailored three-dimensional warp knitted spacer fabrics are used to reinforce the mechanically week fibrin gel-based scaffold and further to create a directed in vitro pre-vascularization along the parallel-oriented pile yarns within a co-culture. In this study various three-dimensional warp knitted spacer fabrics were developed in a factorial design to analyze the influence of the machine parameters such as the stitch density and the pattern of the fabric on the scaffold performance and further to determine suitable parameters for a successful fibrin gel-incorporation and a physiological performance of the scaffold. The fabrics were manufactured on a Karl Mayer double-bar raschel machine DR 16 EEC/EAC. A fine machine gauge of E30 was used to ensure a high pile yarn density for sufficient nutrient, gas and waste exchange. In order to ensure a high mechanical stability of the graft, the fabrics were made of biocompatible PVDF yarns. Key parameters such as the pore size, porosity and stress/strain behavior were investigated under standardized, controlled climate conditions. The influence of the input parameters on the mechanical and morphological properties as well as the ability of fibrin gel incorporation into the spacer fabric was analyzed. Subsequently, the pile yarns of the spacer fabrics were colonized with Human Umbilical Vein Endothelial Cells (HUVEC) to analyze the ability of the fabric to further function as a guiding structure for a directed vascularization. The cells were stained with DAPI and investigated using fluorescence microscopy. The analysis revealed that the stitch density and the binding pattern have a strong influence on both the mechanical and morphological properties of the fabric. As expected, the incorporation of the fibrin gel was significantly improved with higher pore sizes and porosities, whereas the mechanical strength decreases. Furthermore, the colonization trials revealed a high cell distribution and density on the pile yarns of the spacer fabrics. For a tailored reinforcing structure, the minimum porosity and pore size needs to be evaluated which still ensures a complete incorporation of the reinforcing structure into the fibrin gel matrix. That will enable a mechanically stable dermal graft with a dense vascular network for a sufficient nutrient and oxygen supply of the cells. The results are promising for subsequent research in the field of reinforcing mechanically weak biological scaffolds and develop functional three-dimensional scaffolds with an oriented pre-vascularization.

Keywords: fibrin-gel, skin replacement, spacer fabric, pre-vascularization

Procedia PDF Downloads 242
1927 Coarse-Grained Computational Fluid Dynamics-Discrete Element Method Modelling of the Multiphase Flow in Hydrocyclones

Authors: Li Ji, Kaiwei Chu, Shibo Kuang, Aibing Yu

Abstract:

Hydrocyclones are widely used to classify particles by size in industries such as mineral processing and chemical processing. The particles to be handled usually have a broad range of size distributions and sometimes density distributions, which has to be properly considered, causing challenges in the modelling of hydrocyclone. The combined approach of Computational Fluid Dynamics (CFD) and Discrete Element Method (DEM) offers convenience to model particle size/density distribution. However, its direct application to hydrocyclones is computationally prohibitive because there are billions of particles involved. In this work, a CFD-DEM model with the concept of the coarse-grained (CG) model is developed to model the solid-fluid flow in a hydrocyclone. The DEM is used to model the motion of discrete particles by applying Newton’s laws of motion. Here, a particle assembly containing a certain number of particles with same properties is treated as one CG particle. The CFD is used to model the liquid flow by numerically solving the local-averaged Navier-Stokes equations facilitated with the Volume of Fluid (VOF) model to capture air-core. The results are analyzed in terms of fluid and solid flow structures, and particle-fluid, particle-particle and particle-wall interaction forces. Furthermore, the calculated separation performance is compared with the measurements. The results obtained from the present study indicate that this approach can offer an alternative way to examine the flow and performance of hydrocyclones

Keywords: computational fluid dynamics, discrete element method, hydrocyclone, multiphase flow

Procedia PDF Downloads 392
1926 Sub-Lethal Effects of Thiamethoxam and Pirimicarb on Life-Table Parameters of Diaeretiella rapae (Hymenoptera: Braconidae), Parasitoid of Lipaphis erysimi (Hemiptera: Aphididae)

Authors: Nastaran Rezaei, Mohammad Saeed Mossadegh, Farhan Kocheyli, Khalil Talebi Jahromi, Aurang Kavousi

Abstract:

Integrated Pest Management (IPM) aims to combine biological and chemical strategies and measures, hence highlighting the study of acute toxicity and sub-lethal effects of pesticides comprehensively. The present research focused on the side effects of thiamethoxam and pirimicarb sub-lethal concentrations on demographic parameters of Diaeretiella rapae (McIntosh Laboratory) (Hymenoptera: Braconidae). Adult parasitoids were exposed to LC25 of insecticides as well as distilled water as the control. The results showed that thiamethoxam adversely affected population parameters (r, λ, R0, T), adults' longevity, females' oviposition period and mean fecundity, and a similar trend was obtained for pirimicarb with the exception of generation time (T), the latter did not significantly change compared to the control. The intrinsic rate of increase (r) in the control and those treated with pirimicarb and thiamethoxam were 0.2801, 0.2064, 0.1525 days-1, respectively, and the sex ratio was biased toward females in all treatments. Furthermore, none of the insecticides influenced total pre-oviposition period (TPOP) and offspring emergence rate. In general, these results indicated that both insecticides potentially distort the demographic parameters of the parasitoid even at sub-lethal concentrations, and then they should not be considered for IPM program in the presence of D. rapae.

Keywords: Diaeretiella rapae, Lipaphis erysimi, life-table study, pirimicarb, thiamethoxam

Procedia PDF Downloads 174
1925 Colour Formation and Maillard Reactions in Spray-Dried Milk Powders

Authors: Zelin Zhou, Timothy Langrish

Abstract:

Spray drying is the final stage of milk powder production. Traditionally, the quality of spray-dried milk powders has mainly been assessed using their physical properties, such as their moisture contents, while chemical changes occurring during the spray drying process have often been ignored. With growing concerns about food quality, it is necessary to establish a better understanding of heat-induced degradation due to the spray-drying process of skim milk. In this study, the extent of thermal degradation for skim milk in a pilot-scale spray dryer has been investigated using different inlet gas temperatures. The extent of heat-induced damage has been measured by the formation of advanced Maillard reaction products and the loss of soluble proteins at pH 4.6 as assessed by a fluorometric method. A significant increase in the extent of thermal degradation has been found when the inlet gas temperature increased from 170°C to 190°C, suggesting protein unfolding may play an important role in the kinetics of heat-induced degradation for milk in spray dryers. Colour changes of the spray-dried skim milk powders have also been analysed using a standard lighting box. Colourimetric analysis results were expressed in CIELAB colour space with the use of the E index (E) and the Chroma (C) for measuring the difference between colours and the intensity of the colours. A strong linear correlation between the colour intensity of the spray-dried skim milk powders and the formation of advanced Maillard reaction products has been observed.

Keywords: colour formation, Maillard reactions, spray drying, skim milk powder

Procedia PDF Downloads 167
1924 Synthesis and Properties of Photocured Surface Modified Polyaniline Hybrid Composites

Authors: Asli Beyler Çi̇ği̇l, Memet Vezi̇r Kahraman

Abstract:

Organic–inorganic hybrids have become an effective source of advanced materials because they combine the advantages of both the organic moiety such as flexibility, low dielectric constant, and processability, and inorganic moiety as rigidity, strength, durability, and thermal stability. By incorporating cross-linkable side chains, the hybrid materials can be made photosensitive and UV curable, which offers many advantages including low processing temperature, low equipment cost and compatibility. In this study, uv-curable organic-inorganic hybrid material, which was contained surface modified polyaniline particles (PANI), was prepared. PANI surface photografted with hydroxy ethyl methacrylate (HEMA) to produce hydroxyl groups. Hydroxyl functionalized PANI/HEMA was acrylated using isocyanato ethyl methacrylate (IEM) in order to improve the dispersion and interfacial interaction in composites. UV-curable formulation was prepared by mixing the surface modified PANI, polyethylene glycol diacrylate (PEGDA), trimethylolpropane triacrylate (TMPTA), hydrolized 3- methacryloxypropyltrimethoxysilane (hyd. MEMO) and photoinitiator. Chemical structure of nano-hybrid material was characterized by FTIR. FTIR spectra showed that the photografting of PANI was prepared successfully. Thermal properties of the nano-hybrid material were determined by thermogravimetric analysis (TGA). The morphology of the nano-hybrid material was performed by scanning electron microscopy (SEM).

Keywords: polyaniline, photograft, sol-gel, uv-curable polymer

Procedia PDF Downloads 290
1923 Comparison between Experimental Modeling and HYDRUS-2D for Nitrate Transport through a Saturated Soil Column

Authors: Mohamed Eltarabily, Abdelazim Negm, Chihiro Yoshimura

Abstract:

Recently, the pollution of groundwater from the use of nitrogenous fertilizer is at the increase. Also, due to the increase in area under cultivation and regular use of fertilizer in irrigated agriculture, groundwater pollution from agricultural activities is becoming a major concern. Because of the high mobility of Nitrate (NO3-) in soil which is governed by electrostatic processes, particularly anion exclusion, nitrate can be intercepted by shallow subsurface drainage pipe systems and then discharged offsite into streams, rivers, and lakes causing many hazards. In order to solve these environmental problems associated with nitrate, a better understanding of how NO3- moves through the soil profile under flow conditions is required. In the present paper, the results of a comparative study between experimental and numerical modeling of Nitrate transport through a saturated soil column are presented and analyzed. In order to achieve that, three water fluxes densities; 0.008, 0.007, and 0.006 m sec-1 and N concentration rates 10 mol cm-3 were used. The same concentrations were used in the simulation using HYDRUS-2D. The physical and chemical properties of the collected soil samples were calculated. Besides, the soil texture was determined which was silty sand. Results showed that HYDRUS-2D can successfully predict the relative behavior of N transport in the present experiment. Nitrate concentrations will reach deeper depth with the increase in the water flux. Overall, it was overestimated in the final concentration of (NO3-) in the soil by numerical simulation than by experimental column test. The column experiment is a useful tool for assessing the nitrate concentrations in the soil profile.

Keywords: groundwater, nitrate leaching, HYDRUS-2D, soil column

Procedia PDF Downloads 221
1922 Economic Factors Affecting Greenfield Petroleum Refinery and Petrochemical Projects in Africa

Authors: Daniel Muwooya

Abstract:

This paper analyses economic factors that have affected the competitiveness of petroleum refinery and petrochemical projects in sub-Saharan Africa in the past and continue to plague greenfield projects today. Traditional factors like plant sizing and complexity, low-capacity utilization, changing regulatory environment, and tighter product specifications have been important in the past. Additional factors include the development of excess refinery capacity in Asia and the growth of renewable sources of energy – especially for transportation. These factors create both challenges and opportunities for the development of greenfield refineries and petrochemical projects in areas of increased demand growth and new low-cost crude oil production – like sub-Saharan Africa. This paper evaluates the strategies available to project developers and host countries to address contemporary issues of energy transition and the apparent reduction of funds available for greenfield oil and gas projects. The paper also evaluates the structuring of greenfield refinery and petrochemical projects for limited recourse project finance bankability. The methodology of this paper includes analysis of current industry data, conference proceedings, academic papers, and academic books on the subjects of petroleum refinery economics, refinery financing, refinery operations, and project finance generally and specifically in the oil and gas industry; evaluation of expert opinions from journal articles; working papers from international bodies like the World Bank and the International Energy Agency; and experience from playing an active role in the development and financing of US$ 10 Billion greenfield oil development project in Uganda. The paper also applies the discounted cash flow modelling to illustrate the circumstances of an inland greenfield refinery project in Uganda. Greenfield refinery and petrochemical projects are still necessary in sub-Saharan Africa to, among other aspirations, support the transition from traditional sources of energy like biomass to such modern forms as liquefied petroleum gas. Project developers and host governments will be required to structure projects that support global climate change goals without occasioning undue delays to project execution.

Keywords: financing, refinery and petrochemical economics, Africa, project finance

Procedia PDF Downloads 46
1921 Phosphate Sludge Ceramics: Effects of Firing Cycle Parameters on Technological Properties and Ceramic Suitability

Authors: Mohamed Loutou, Mohamed Hajjaji, Mohamed Ait Babram, Mohammed Mansori, Rachid Hakkou, Claude Favotto

Abstract:

More than 26,4 million tons of phosphates are produced by the phosphates industries in Morocco (2010), generating huge amounts of sludge by flocculation during the ore beneficiation. They way are stored at the end of the process in open air ponds. Its accumulation and storage may have an impact on several scales such as ground water and human being. For this purpose, an efficient way to use it the field of the ceramic is proposed. The as received sludge and a clay-rich sediment have been studied in terms of chemical, mineralogical and micro-structural side using various analytical methods. Several formulations have been performed by mixing the sludge with the binder shaped in the form of granules. After being dried at 105 °C, the samples were heated in the range of 900-1200 °C. As well as the ceramic properties (firing shrinkage, water absorption, total porosity and compressive strength) the micro structure has been investigated using X-ray diffraction, scanning electron microscopy and Fourier transform infrared spectroscopy. The relations between properties and the operating factors were formulated using the design of experiments (DOE). Gehlenite was the only phase neo-formed in the sintering samples. SEM micrographs revealed the presence of nano metric stains. Based on RSM results, all factors had positive effects on Firing shrinkage, compressive strength and total porosity. However, they manifested opposite effects on density and water absorption.

Keywords: phosphate sludge, clay, ceramic properties, granule

Procedia PDF Downloads 494
1920 Mechanical Properties of Cement Slurry by Partially Substitution of Industry Waste Natural Pozzolans

Authors: R. Ziaie Moayed, S. P. Emadoleslami Oskoei, S. D. Beladi Mousavi, A. Taleb Beydokhti

Abstract:

There have been many reports of the destructive effects of cement on the environment in recent years. In the present research, it has been attempted to reduce the destructive effects of cement by replacing silica fume as adhesive materials instead of cement. The present study has attempted to improve the mechanical properties of cement slurry by using waste material from a glass production factory, located in Qazvin city of Iran, in which accumulation volume has become an environmental threat. The chemical analysis of the waste material indicates that this material contains about 94% of SiO2 and AL2O3 and has a close structure to silica fume. Also, the particle grain size test was performed on the mentioned waste. Then, the unconfined compressive strength test of the slurry was performed by preparing a mixture of water and adhesives with different percentages of cement and silica fume. The water to an adhesive ratio of this mixture is 1:3, and the curing process last 28 days. It was found that the sample had an unconfined compressive strength of about 300 kg/cm2 in a mixture with equal proportions of cement and silica fume. Besides, the sample had a brittle fracture in the slurry sample made of pure cement, however, the fracture in cement-silica fume slurry mixture is flexible and the structure of the specimen remains coherent after fracture. Therefore, considering the flexibility that is achieved by replacing this waste, it can be used to stabilize soils with cracking potential.

Keywords: cement replacement, cement slurry, environmental threat, natural pozzolan, silica fume, waste material

Procedia PDF Downloads 117
1919 Determination of Brominated Flame Retardants In Recycled Plastic Toys Using Thermal Desorption GC/MS

Authors: Athena Nguyen, Rojin Belganeh

Abstract:

In recycling plastics industries, waste plastics are converted into monomers and other useful molecules by chemical reactions. Thermal energy generated by incineration is recovered when waste plastics melt. During the process, Flame retardants containing products get in, and brominated flame retardants (BFRs) are often used to reduce the flammability of products. Some of the originally formulated brominated flame retardants additives are restricted by the RoHS Directive, such as PBDE and PBB. The determination of BFRs other than those restricted by the RoHS directive is required. Frontier Lab developed a pyrolyzer based on the vertical micro-furnace design. The multi-mode pyrolyzer with different modes of operations, including evolve gas analysis (EGA), flash pyrolysis, thermal desorption, heart cutting, allows users to choose among the techniques for their analysis purposes. The method requires very little sample preparation. The first step is to perform an EGA using temperature programs. This technique provides information about the thermal temperature behaviors of the sample. The EGA thermogram is then used to determine the next steps in the analysis process. In this presentation, with an Optimal thermal temperature zone identified based on EGA thermogram, thermal desorption GC/MS is a chosen technique for the determination of brominated flame retardants in recycled plastic toys. Five types of general-purpose brominated flame retardants other than those restricted by the RoHS Directive are determined by the standard addition method.

Keywords: gas chromatography/mass spectrometry, pyrolysis, pyrolyzer, thermal desorption-GC/MS

Procedia PDF Downloads 171
1918 Exploiting the Tumour Microenvironment in Order to Optimise Sonodynamic Therapy for Cancer

Authors: Maryam Mohammad Hadi, Heather Nesbitt, Hamzah Masood, Hashim Ahmed, Mark Emberton, John Callan, Alexander MacRobert, Anthony McHale, Nikolitsa Nomikou

Abstract:

Sonodynamic therapy (SDT) utilises ultrasound in combination with sensitizers, such as porphyrins, for the production of cytotoxic reactive oxygen species (ROS) and the confined ablation of tumours. Ultrasound can be applied locally, and the acoustic waves, at frequencies between 0.5-2 MHz, are transmitted efficiently through tissue. SDT does not require highly toxic agents, and the cytotoxic effect only occurs upon ultrasound exposure at the site of the lesion. Therefore, this approach is not associated with adverse side effects. Further highlighting the benefits of SDT, no cancer cell population has shown resistance to therapy-triggered ROS production or their cytotoxic effects. This is particularly important, given the as yet unresolved issues of radiation and chemo-resistance, to the authors’ best knowledge. Another potential future benefit of this approach – considering its non-thermal mechanism of action – is its possible role as an adjuvant to immunotherapy. Substantial pre-clinical studies have demonstrated the efficacy and targeting capability of this therapeutic approach. However, SDT has yet to be fully characterised and appropriately exploited for the treatment of cancer. In this study, a formulation based on multistimulus-responsive sensitizer-containing nanoparticles that can accumulate in advanced prostate tumours and increase the therapeutic efficacy of SDT has been developed. The formulation is based on a polyglutamate-tyrosine (PGATyr) co-polymer carrying hematoporphyrin. The efficacy of SDT in this study was demonstrated using prostate cancer as the translational exemplar. The formulation was designed to respond to the microenvironment of advanced prostate tumours, such as the overexpression of the proteolytic enzymes, cathepsin-B and prostate-specific membrane antigen (PSMA), that can degrade the nanoparticles, reduce their size, improving both diffusions throughout the tumour mass and cellular uptake. The therapeutic modality was initially tested in vitro using LNCaP and PC3 cells as target cell lines. The SDT efficacy was also examined in vivo, using male SCID mice bearing LNCaP subcutaneous tumours. We have demonstrated that the PGATyr co-polymer is digested by cathepsin B and that digestion of the formulation by cathepsin-B, at tumour-mimicking conditions (acidic pH), leads to decreased nanoparticle size and subsequent increased cellular uptake. Sonodynamic treatment, at both normoxic and hypoxic conditions, demonstrated ultrasound-induced cytotoxic effects only for the nanoparticle-treated prostate cancer cells, while the toxicity of the formulation in the absence of ultrasound was minimal. Our in vivo studies in immunodeficient mice, using the hematoporphyrin-containing PGATyr nanoparticles for SDT, showed a 50% decrease in LNCaP tumour volumes within 24h, following IV administration of a single dose. No adverse effects were recorded, and body weight was stable. The results described in this study clearly demonstrate the promise of SDT to revolutionize cancer treatment. It emphasizes the potential of this therapeutic modality as a fist line treatment or in combination treatment for the elimination or downstaging of difficult to treat cancers, such as prostate, pancreatic, and advanced colorectal cancer.

Keywords: sonodynamic therapy, nanoparticles, tumour ablation, ultrasound

Procedia PDF Downloads 126
1917 Modelling and Control of Binary Distillation Column

Authors: Narava Manose

Abstract:

Distillation is a very old separation technology for separating liquid mixtures that can be traced back to the chemists in Alexandria in the first century A. D. Today distillation is the most important industrial separation technology. By the eleventh century, distillation was being used in Italy to produce alcoholic beverages. At that time, distillation was probably a batch process based on the use of just a single stage, the boiler. The word distillation is derived from the Latin word destillare, which means dripping or trickling down. By at least the sixteenth century, it was known that the extent of separation could be improved by providing multiple vapor-liquid contacts (stages) in a so called Rectifactorium. The term rectification is derived from the Latin words rectefacere, meaning to improve. Modern distillation derives its ability to produce almost pure products from the use of multi-stage contacting. Throughout the twentieth century, multistage distillation was by far the most widely used industrial method for separating liquid mixtures of chemical components.The basic principle behind this technique relies on the different boiling temperatures for the various components of the mixture, allowing the separation between the vapor from the most volatile component and the liquid of other(s) component(s). •Developed a simple non-linear model of a binary distillation column using Skogestad equations in Simulink. •We have computed the steady-state operating point around which to base our analysis and controller design. However, the model contains two integrators because the condenser and reboiler levels are not controlled. One particular way of stabilizing the column is the LV-configuration where we use D to control M_D, and B to control M_B; such a model is given in cola_lv.m where we have used two P-controllers with gains equal to 10.

Keywords: modelling, distillation column, control, binary distillation

Procedia PDF Downloads 260
1916 Disaggregate Travel Behavior and Transit Shift Analysis for a Transit Deficient Metropolitan City

Authors: Sultan Ahmad Azizi, Gaurang J. Joshi

Abstract:

Urban transportation has come to lime light in recent times due to deteriorating travel quality. The economic growth of India has boosted significant rise in private vehicle ownership in cities, whereas public transport systems have largely been ignored in metropolitan cities. Even though there is latent demand for public transport systems like organized bus services, most of the metropolitan cities have unsustainably low share of public transport. Unfortunately, Indian metropolitan cities have failed to maintain balance in mode share of various travel modes in absence of timely introduction of mass transit system of required capacity and quality. As a result, personalized travel modes like two wheelers have become principal modes of travel, which cause significant environmental, safety and health hazard to the citizens. Of late, the policy makers have realized the need to improve public transport system in metro cities for sustaining the development. However, the challenge to the transit planning authorities is to design a transit system for cities that may attract people to switch over from their existing and rather convenient mode of travel to the transit system under the influence of household socio-economic characteristics and the given travel pattern. In this context, the fast-growing industrial city of Surat is taken up as a case for the study of likely shift to bus transit. Deterioration of public transport system of bus after 1998, has led to tremendous growth in two-wheeler traffic on city roads. The inadequate and poor service quality of present bus transit has failed to attract the riders and correct the mode use balance in the city. The disaggregate travel behavior for trip generations and the travel mode choice has been studied for the West Adajan residential sector of city. Mode specific utility functions are calibrated under multi-nominal logit environment for two-wheeler, cars and auto rickshaws with respect to bus transit using SPSS. Estimation of shift to bus transit is carried indicate an average 30% of auto rickshaw users and nearly 5% of 2W users are likely to shift to bus transit if service quality is improved. However, car users are not expected to shift to bus transit system.

Keywords: bus transit, disaggregate travel nehavior, mode choice Behavior, public transport

Procedia PDF Downloads 247
1915 Urban Renewal from the Perspective of Industrial Heritage Protection: Taking the Qiaokou District of Wuhan as an Example

Authors: Yue Sun, Yuan Wang

Abstract:

Most of the earliest national industries in Wuhan are located along the Hanjiang River, and Qiaokou is considered to be a gathering place for Dahankou old industrial base. Zongguan Waterworks, Pacific Soap Factory, Fuxin Flour Factory, Nanyang Tobacco Factory and other hundred-year-old factories are located along Hanjiang River in Qiaokou District, especially the Gutian Industrial Zone, which was listed as one of 156 national restoration projects at the beginning of the founding of the People’s Republic of China. After decades of development, Qiaokou has become the gathering place of the chemical industry and secondary industry, causing damage to the city and serious pollution, becoming a marginalized area forgotten by the central city. In recent years, with the accelerated pace of urban renewal, Qiaokou has been constantly reforming and innovating, and has begun drastic changes in the transformation of old cities and the development of new districts. These factories have been listed as key reconstruction projects, and a large number of industrial heritage with historical value and full urban memory have been relocated, demolished and reformed, with only a few factory buildings preserved. Through the methods of industrial archaeology, image analysis, typology and field investigation, this paper analyzes and summarizes the spatial characteristics of industrial heritage in Qiaokou District, explores urban renewal from the perspective of industrial heritage protection, and provides design strategies for the regeneration of urban industrial sites and industrial heritage.

Keywords: industrial heritage, urban renewal, protection, urban memory

Procedia PDF Downloads 132
1914 Synthesis of Plant-Mediated Silver Nanoparticles Using Erythrina indica Extract and Evaluation of Their Anti-Microbial Activities

Authors: Chandra Sekhar Singh, P. Chakrapani, B. Arun Jyothi, A. Roja Rani

Abstract:

The green synthesis of metallic nanoparticles (NPs) involves biocompatible ingredients under physiological conditions of temperature and pressure. Moreover, the biologically active molecules involved in the green synthesis of NPs act as functionalizing ligands, making these NPs more suitable for biomedical applications. Among the most important bioreductants are plant extracts, which are relatively easy to handle, readily available, low cost, and have been well explored for the green synthesis of other nanomaterials. Various types of metallic NPs have already been synthesized using plant extracts. They have wide applicability in various areas such as electronics, catalysis, chemistry, energy, and medicine. Metallic nanoparticles are traditionally synthesized by wet chemical techniques, where the chemicals used are quite often toxic and flammable. In our study, we were described a cost effective and environment friendly technique for green synthesis of silver nanoparticles from 1mM AgNO3 solution through the aqueous extract of Erythrina indica as reducing as well as capping agent. Nanoparticles were characterized using UV–Vis absorption spectroscopy, FTIR, XRD, X-ray diffraction, SEM and TEM analysis showed the average particle size of 30 nm as well as revealed their spherical structure. Further these biologically synthesized nanoparticles were found to be highly toxic against different human pathogens viz. two Gram positive namely Klebsiella pneumonia and Bacillus subtilis bacteria and two were Gram negative bacteria namely Staphylococcus aureus and Escherichia coli (E. coli). This is for the first time reporting that Erythrina indica plant extract was used for the synthesis of nanoparticles.

Keywords: silver nanoparticles, green synthesis, antibacterial activity, FTIR, TEM, SEM

Procedia PDF Downloads 482
1913 Educating the Educators: Interdisciplinary Approaches to Enhance Science Teaching

Authors: Denise Levy, Anna Lucia C. H. Villavicencio

Abstract:

In a rapid-changing world, science teachers face considerable challenges. In addition to the basic curriculum, there must be included several transversal themes, which demand creative and innovative strategies to be arranged and integrated to traditional disciplines. In Brazil, nuclear science is still a controversial theme, and teachers themselves seem to be unaware of the issue, most often perpetuating prejudice, errors and misconceptions. This article presents the authors’ experience in the development of an interdisciplinary pedagogical proposal to include nuclear science in the basic curriculum, in a transversal and integrating way. The methodology applied was based on the analysis of several normative documents that define the requirements of essential learning, competences and skills of basic education for all schools in Brazil. The didactic materials and resources were developed according to the best practices to improve learning processes privileging constructivist educational techniques, with emphasis on active learning process, collaborative learning and learning through research. The material consists of an illustrated book for students, a book for teachers and a manual with activities that can articulate nuclear science to different disciplines: Portuguese, mathematics, science, art, English, history and geography. The content counts on high scientific rigor and articulate nuclear technology with topics of interest to society in the most diverse spheres, such as food supply, public health, food safety and foreign trade. Moreover, this pedagogical proposal takes advantage of the potential value of digital technologies, implementing QR codes that excite and challenge students of all ages, improving interaction and engagement. The expected results include the education of the educators for nuclear science communication in a transversal and integrating way, demystifying nuclear technology in a contextualized and significant approach. It is expected that the interdisciplinary pedagogical proposal contributes to improving attitudes towards knowledge construction, privileging reconstructive questioning, fostering a culture of systematic curiosity and encouraging critical thinking skills.

Keywords: science education, interdisciplinary learning, nuclear science, scientific literacy

Procedia PDF Downloads 121
1912 Application of Molecular Materials in the Manufacture of Flexible and Organic Devices for Photovoltaic Applications

Authors: Mariana Gomez Gomez, Maria Elena Sanchez Vergara

Abstract:

Many sustainable approaches to generate electric energy have emerged in the last few decades; one of them is through solar cells. Yet, this also has the disadvantage of highly polluting inorganic semiconductor manufacturing processes. Therefore, the use of molecular semiconductors must be considered. In this work, allene compounds C24H26O4 and C24H26O5 were used as dopants to manufacture semiconductors films based on PbPc by high-vacuum evaporation technique. IR spectroscopy was carried out to determine the phase and any significant chemical changes which may occur during the thermal evaporation. According to UV-visible spectroscopy and Tauc’s model, the deposition process generated thin films with an activation energy range of 1.47 to 1.55 eV for direct transitions and 1.29 to 1.33 eV for indirect transitions. These values place the manufactured films within the range of low bandgap semiconductors. The flexible devices were manufactured: polyethylene terephthalate (PET), Indium tin oxide (ITO)/organic semiconductor/ Cubic Close Packed (CCP). The characterization of the devices was carried out by evaluating electrical conductivity using the four-probe collinear method. I-V curves were obtained under different lighting conditions at room temperature. OS1 (PbPc/C24H26O4) showed an Ohmic behavior, while OS2 (PbPc/C24H26O5) reached higher current values ​​at lower voltages. The results obtained show that the semiconductors devices doped with allene compounds can be used in the manufacture of optoelectronic devices.

Keywords: electrical properties, optical gap, phthalocyanine, thin film.

Procedia PDF Downloads 229
1911 Fatigue Test and Stress-Life Analysis of Nanocomposite-Based Bone Fixation Device

Authors: Jisoo Kim, Min Su Lee, Sunmook Lee

Abstract:

Durability assessment of nanocomposite-based bone fixation device was performed by flexural fatigue tests, for which the changes in the life cycles of nanocomposite samples synthesized by blending bioabsorbable polymer (PLGA) and ceramic nanoparticles (β-TCP) with different ratios were monitored. The nanocomposite samples were kept in a constant temperature/humidity chamber at 37°C/50%RH for varied incubation periods for the degradation of nanocomposite samples under the temperature/humidity stress. It was found that the life cycles were increasing as the incubation time in the chamber were increasing in the initial stage irrespective of sample compositions, which was due to the annealing effect of the polymer. However, the life cycle was getting shorter as the incubation time increased afterward, which was due to the overall degradation of nanocomposites. It was found that the life cycle of the nanocomposite sample with high ceramic content was shorter than the one with low ceramic content, which was attributed to the increased brittleness of the composite with high ceramic content. The changes in chemical properties were also monitored by FT-IR, which indicated that the degradation of the biodegradable polymer could be confirmed by the increased intensities of carboxyl groups and hydroxyl groups since the hydrolysis of ester bonds connecting two successive monomers yielded carboxyl end groups and hydroxyl groups.

Keywords: bioabsorbable polymer, bone fixation device, ceramic nanoparticles, durability assessment, fatigue test

Procedia PDF Downloads 383
1910 The Potential Effect of Climate Changes on Food and Water Associated Infections

Authors: Mohammed A. Alhoot, Rathika A/P Nagarajan

Abstract:

Climate change and variability are affecting human health and diseases direct or indirectly through many mechanisms. Change in rain pattern, an increase of temperature and humidity are showing an increased trend in Malaysia. This will affect the biological, physical and chemical component of water through different pathways and will enhance the risk of waterborne diseases. Besides, the warm temperature and humid climate provide very suitable conditions for the growth of pathogenic bacteria. This study is intended to highlight the relationship between the climate changes and the incidence food and water associated infections. Incidences of food and water associated infection and climate data were collected from Malaysian Ministry of health and Malaysian Metrological Department respectively. Maximum and minimum temperature showed high correlation with incidence of typhoid, hepatitis A, dysentery, food poisoning (P value <0.05 significant with 2 tailed / 0.5<[r]). Heavy rainfall does not associated with any outbreaks. Climate change brings out new challenges in controlling food and water associated infections. Adaptation strategies should involve all key stakeholders with a strong regional cooperation to prevent and deal with cross-boundary health crises. Moreover, the role of health care personnel at local, state and national levels is important to ensure the success of these programmes. As has been shown herein, climate variability is an important element influencing the food and water associated epidemiology in Malaysia. The results of this study are crucial to implementing climate changes as a factor to reduce any future outbreaks.

Keywords: climate change, typhoid, hepatitis A, dysentery, food poisoning

Procedia PDF Downloads 295
1909 The Motion of Ultrasonically Propelled Nanomotors Operating in Biomimetic Environments

Authors: Suzanne Ahmed

Abstract:

Nanomotors, also commonly referred to as nanorobotics or nanomachines, have garnered considerable research attention due to their numerous potential applications in biomedicine, including drug delivery and microsurgery. Nanomotors typically consist of inorganic or polymeric particles that are powered to undergo motion. These artificial, man-made nanoscale motors operate in the low Reynolds number regime and typically have no moving parts. Several methods have been developed to actuate the motion of nanomotors including magnetic fields, electrical fields, electromagnetic waves, and chemical fuel. Since their introduction in 2012, ultrasonically powered nanomotors have been explored in biocompatible fluids and even within living cells. Due to the common use of ultrasound within the biomedical community for both imaging and therapeutics, the introduction of ultrasonically propelled nanomotors holds significant potential for biomedical applications. In this work, metallic nanomotors are electrochemically plated within porous anodic alumina templates to have a diameter of 300 nm and a length that is 2-4 µm. Nanomotors are placed within an acoustic chamber capable of producing bulk acoustic waves in the ultrasonic range. The motion of nanomotors within biomimetic confines is explored. The control over nanomotor motion is exerted by virtue of the properties of the acoustic signal within these biomimetic confines to control speed, modes of motion and directionality of motion. To expand the range of control over nanorod motion within biomimetic confines, external forces from biocompatible magnetic fields, are exerted onto the acoustically propelled nanomotors.

Keywords: nanomotors, nanomachines, nanorobots, ultrasound

Procedia PDF Downloads 56
1908 Investigation of the Possible Beneficial and Protective Effects of an Ethanolic Extract from Sarcopoterium spinosum Fruits

Authors: Hawraa Zbeeb, Hala Khalifeh, Mohamad Khalil, Francesca Storace, Francesca Baldini, Giulio Lupidi, Laura Vergani

Abstract:

Sarcopoterium spinosum, a widely distributed spiny shrub belonging to the Rosaceae family, is rich in essential and beneficial constituents. In fact, S. spinosum fruits and roots are traditionally used as herbal medicine in the eastern Mediterranean landscape, and this shrub is mentioned as a medicinal plant in a large number of ethnobotanical surveys. Aqueous root extracts from S. spinosum are used by traditional medicinal practitioners for weight loss treatment of diabetes and pain. Moreover, the anti-diabetic activity of S. spinosum root extract has been reported in different studies, but the beneficial effects of aerial parts, especially fruits, have not been elucidated yet. The aim of the present study was to investigate the in vitro antioxidant and lipid-lowering properties of an ethanolic extract from S. spinosum fruits using both hepatic (FaO) and endothelial (HECV) cells in an attempt to evaluate its possible employment as a nutraceutical supplement. First of all, in vitro spectrophotometric assays were employed to characterize the extract. The total phenol content (TPC) was evaluated by Folin–Ciocalteu spectrophotometric method and the radical scavenging activity was tested by 2,2-diphenyl-1-picrylhydrazyl (DPPH) and 2, 2'-azino-bis-3-ethylbenzothiazoline-6-sulfonic acid (ABTS) assays. After that, the beneficial effects of the extract were tested on cells. FaO cells treated for 3 hours with 0.75 mM oleate/palmitate mix (1:2 molar ratio) mimic in vitro a moderate hepato-steatosis. HECV cells exposed for 1 hour to 100 µM H₂O₂ mimic an oxidative insult leading to oxidative stress conditions. After the metabolic and oxidative insult, both cell lines were treated with increasing concentrations of the S. spinosum extract (1, 10, 25 µg/mL) for 24 hours. The results showed the S. spinosum ethanolic extract is rather rich in phenols (TPC of 18.6 mgGAE/g dry extracts). Moreover, the extract showed a good scavenging ability in vitro (IC₅₀ 15.9 µg/ml and 10.9 µg/ml measured by DPPH and ABTS assays, respectively). When the extract was tested on cells, the results showed that it could ameliorate some markers of cell dysfunction. The three concentrations of the extract led to a significant decrease in the intracellular triglyceride (TG) content in steatotic FaO cells measured by spectrophotometric assay. On the other hand, HECV cells treated with increasing concentrations of the extract did not result in a significant decrease in both lipid peroxidation measured by the Thiobarbituric Acid Reactive Substances (TBARS) assay, and in reactive oxygen species (ROS) production measured by fluorometric analysis after DCF staining. Interestingly, the ethanolic extract was able to accelerate the wound repair of confluent HECV cells with respect to H₂O₂-insulted cells as measured by T-scratch assay. Taken together, these results seem to indicate that the ethanol extract from S. spinosum fruits is rich in phenol compounds and plays considerable lipid-lowering activity in vitro on steatotic hepatocytes and accelerates wound healing repair on endothelial cells. In light of that, the ethanolic extract from S. spinosum fruits could be a potential candidate for nutraceutical applications.

Keywords: antioxidant activity, ethanolic extract, lipid-lowering activity, phenolic compounds, Sarcopoterium spinosum fruits

Procedia PDF Downloads 161
1907 Preparation, Characterization, and in-Vitro Drug Release Study of Methotrexate-Loaded Hydroxyapatite-Sodium Alginate Nanocomposites

Authors: Friday G. Okibe, Edit B. Agbaji, Victor O. Ajibola, Christain C. Onoyima

Abstract:

Controlled drug delivery systems reduce dose-dependent toxicity associated with potent drugs, including anticancer drugs. In this research, hydroxyapatite (HA) and hydroxyapatite-sodium alginate nanocomposites (HASA) were successfully prepared and characterized using Fourier Transform Infrared spectroscopy (FTIR) and Scanning Electron Microscopy (SEM). The FTIR result showed absorption peaks characteristics of pure hydroxyapatite (HA), and also confirmed the chemical interaction between hydroxyapatite and sodium alginate in the formation of the composite. Image analysis from SEM revealed nano-sized hydroxyapatite and hydroxyapatite-sodium alginate nanocomposites with irregular morphologies. Particle size increased with the formation of the nanocomposites relative to pure hydroxyapatite, with no significant change in particles morphologies. Drug loading and in-vitro drug release study were carried out using synthetic body fluid as the release medium, at pH 7.4 and 37 °C and under perfect sink conditions. The result shows that drug loading is highest for pure hydroxyapatite and decreased with increasing quantity of sodium alginate. However, the release study revealed that HASA-5%wt and HASA-20%wt presented better release profile than pure hydroxyapatite, while HASA-33%wt and HASA-50%wt have poor release profiles. This shows that Methotrexate-loaded hydroxyapatite-sodium alginate if prepared under optimal conditions is a potential carrier for effective delivery of Methotrexate.

Keywords: drug-delivery, hydroxyapatite, methotrexate, nanocomposites, sodium alginate

Procedia PDF Downloads 260
1906 Piql Preservation Services - A Holistic Approach to Digital Long-Term Preservation

Authors: Alexander Rych

Abstract:

Piql Preservation Services (“Piql”) is a turnkey solution designed for secure, migration-free long- term preservation of digital data. Piql sets an open standard for long- term preservation for the future. It consists of equipment and processes needed for writing and retrieving digital data. Exponentially growing amounts of data demand for logistically effective and cost effective processes. Digital storage media (hard disks, magnetic tape) exhibit limited lifetime. Repetitive data migration to overcome rapid obsolescence of hardware and software bears accelerated risk of data loss, data corruption or even manipulation and adds significant repetitive costs for hardware and software investments. Piql stores any kind of data in its digital as well as analog form securely for 500 years. The medium that provides this is a film reel. Using photosensitive film polyester base, a very stable material that is known for its immutability over hundreds of years, secure and cost-effective long- term preservation can be provided. The film reel itself is stored in a packaging capable of protecting the optical storage medium. These components have undergone extensive testing to ensure longevity of up to 500 years. In addition to its durability, film is a true WORM (write once- read many) medium. It therefore is resistant to editing or manipulation. Being able to store any form of data onto the film makes Piql a superior solution for long-term preservation. Paper documents, images, video or audio sequences – all of those file formats and documents can be preserved in its native file structure. In order to restore the encoded digital data, only a film scanner, a digital camera or any appropriate optical reading device will be needed in the future. Every film reel includes an index section describing the data saved on the film. It also contains a content section carrying meta-data, enabling users in the future to rebuild software in order to read and decode the digital information.

Keywords: digital data, long-term preservation, migration-free, photosensitive film

Procedia PDF Downloads 381
1905 Physicochemical Characterization of Coastal Aerosols over the Mediterranean Comparison with Weather Research and Forecasting-Chem Simulations

Authors: Stephane Laussac, Jacques Piazzola, Gilles Tedeschi

Abstract:

Estimation of the impact of atmospheric aerosols on the climate evolution is an important scientific challenge. One of a major source of particles is constituted by the oceans through the generation of sea-spray aerosols. In coastal areas, marine aerosols can affect air quality through their ability to interact chemically and physically with other aerosol species and gases. The integration of accurate sea-spray emission terms in modeling studies is then required. However, it was found that sea-spray concentrations are not represented with the necessary accuracy in some situations, more particularly at short fetch. In this study, the WRF-Chem model was implemented on a North-Western Mediterranean coastal region. WRF-Chem is the Weather Research and Forecasting (WRF) model online-coupled with chemistry for investigation of regional-scale air quality which simulates the emission, transport, mixing, and chemical transformation of trace gases and aerosols simultaneously with the meteorology. One of the objectives was to test the ability of the WRF-Chem model to represent the fine details of the coastal geography to provide accurate predictions of sea spray evolution for different fetches and the anthropogenic aerosols. To assess the performance of the model, a comparison between the model predictions using a local emission inventory and the physicochemical analysis of aerosol concentrations measured for different wind direction on the island of Porquerolles located 10 km south of the French Riviera is proposed.

Keywords: sea-spray aerosols, coastal areas, sea-spray concentrations, short fetch, WRF-Chem model

Procedia PDF Downloads 178
1904 Information Technology Impacts on the Supply Chain Performance: Case Study Approach

Authors: Kajal Zarei

Abstract:

Supply chain management is becoming an increasingly important issue in many businesses today. In such circumstances, a number of reasons such as management deficiency in different segments of the supply chain, lack of streamlined processes, resistance to change the current systems and technologies, and lack of advanced information system have paved the ground to ask for innovative research studies. To this end, information technology (IT) is becoming a major driver to overcome the supply chain limitations and deficiencies. The emergence of IT has provided an excellent opportunity for redefining the supply chain to be more effective and competitive. This paper has investigated the IT impact on two-digit industry codes in the International Standard Industrial Classification (ISIC) that are operating in four groups of the supply chains. Firstly, the primary fields of the supply chain were investigated, and then paired comparisons of different industry parts were accomplished. Using experts' ideas and Analytical Hierarchy Process (AHP), the status of industrial activities in Kurdistan Province in Iran was determined. The results revealed that manufacturing and inventory fields have been more important compared to other fields of the supply chain. In addition, IT has had greater impact on food and beverage industry, chemical industry, wood industry, wood products, and production of basic metals. The results indicated the need to IT awareness in supply chain management; in other words, IT applications needed to be developed for the identified industries.

Keywords: supply chain, information technology, analytical hierarchy process, two-digit codes, international standard industrial classification

Procedia PDF Downloads 270
1903 Assessing Smallholder Farmers’ Perception of Climate Change and Coping Strategies Adopted in the Olifants Catchment of South Africa

Authors: Mary Funke Olabanji, Thando Ndarana, Nerhene Davis, Sylvester Okechukwu Ilo

Abstract:

Scientific evidence indicates that climate change is already being experienced by farmers, and its impacts are felt on agricultural and food systems. Understanding the perceptions of farmers on climate change and how they respond to this change is essential to the development and implementation of appropriate policies for agriculture and food security. This paper aims to contribute to the understanding of farmers’ perceptions of climate change, adopted coping strategies, long-term implications of their adaptation choices, and barriers to their decisions to adapt. Data were randomly collected from 73 respondents in five districts located in the Olifants catchment of South Africa. A combination of descriptive statistics and Chi-Square statistical tests using the Statistical Package for Social Science (SPSS) was used to analyse the data obtained from the survey. Results show that smallholder farmers have an in-depth perception of climate change. The most significant changes perceived by farmers were increased temperature and low rainfall. The results equally revealed that smallholder farmers in the Olifants catchment had adopted several adaptation strategies in response to the perceived climate change. The significant adaptation strategies from the results include changing cropping patterns and planting date, use of improved seed variety, and chemical fertilizers. The study, therefore, concludes that crop diversification and agroforestry were more effective and sustainable in mitigating the impact of climate change.

Keywords: adaptation, climate change, perception, smallholder farmers

Procedia PDF Downloads 159
1902 Synthesis and Characterization of an Aerogel Based on Graphene Oxide and Polyethylene Glycol

Authors: Javiera Poblete, Fernando Gajardo, Katherina Fernandez

Abstract:

Graphene, and its derivatives such as graphene oxide (GO), are emerging nanoscopic materials, with interesting physical and chemical properties. From them, it is possible to develop three-dimensional macrostructures, such as aerogels, which are characterized by a low density, high porosity, and large surface area, having a promising structure for the development of materials. The use of GO as a precursor of these structures provides a wide variety of materials, which can be developed as a result of the functionalization of their oxygenated groups, with specific compounds such as polyethylene glycol (PEG). The synthesis of aerogels of GO-PEG for non-covalent interactions has not yet been widely reported, being of interest due to its feasible escalation and economic viability. Thus, this work aims to develop a non-covalently functionalized GO-PEG aerogels and characterize them physicochemically. In order to get this, the GO was synthesized from the modified hummers method and it was functionalized with the PEG by polymer-assisted GO gelation (crosslinker). The gelation was obtained for GO solutions (10 mg/mL) with the incorporation of PEG in different proportions by weight. The hydrogel resulting from the reaction was subsequently lyophilized, to obtain the respective aerogel. The material obtained was chemically characterized by analysis of Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy and X-ray diffraction (XRD), and its morphology by scanning electron microscopy (SEM) images; as well as water absorption tests. The results obtained showed the formation of a non-covalent aerogel (FTIR), whose structure was highly porous (SEM) and with a water absorption values greater than 50% g/g. Thus, a methodology of synthesis for GO-PEG was developed and validated.

Keywords: aerogel, graphene oxide, polyethylene glycol, synthesis

Procedia PDF Downloads 106
1901 The Rational Design of Original Anticancer Agents Using Computational Approach

Authors: Majid Farsadrooh, Mehran Feizi-Dehnayebi

Abstract:

Serum albumin is the most abundant protein that is present in the circulatory system of a wide variety of organisms. Although it is a significant macromolecule, it can contribute to osmotic blood pressure and also, plays a superior role in drug disposition and efficiency. Molecular docking simulation can improve in silico drug design and discovery procedures to propound a lead compound and develop it from the discovery step to the clinic. In this study, the molecular docking simulation was applied to select a lead molecule through an investigation of the interaction of the two anticancer drugs (Alitretinoin and Abemaciclib) with Human Serum Albumin (HSA). Then, a series of new compounds (a-e) were suggested using lead molecule modification. Density functional theory (DFT) including MEP map and HOMO-LUMO analysis were used for the newly proposed compounds to predict the reactivity zones on the molecules, stability, and chemical reactivity. DFT calculation illustrated that these new compounds were stable. The estimated binding free energy (ΔG) values for a-e compounds were obtained as -5.78, -5.81, -5.95, -5,98, and -6.11 kcal/mol, respectively. Finally, the pharmaceutical properties and toxicity of these new compounds were estimated through OSIRIS DataWarrior software. The results indicated no risk of tumorigenic, irritant, or reproductive effects and mutagenicity for compounds d and e. As a result, compounds d and e, could be selected for further study as potential therapeutic candidates. Moreover, employing molecular docking simulation with the prediction of pharmaceutical properties helps to discover new potential drug compounds.

Keywords: drug design, anticancer, computational studies, DFT analysis

Procedia PDF Downloads 61
1900 Measurement of Solids Concentration in Hydrocyclone Using ERT: Validation Against CFD

Authors: Vakamalla Teja Reddy, Narasimha Mangadoddy

Abstract:

Hydrocyclones are used to separate particles into different size fractions in the mineral processing, chemical and metallurgical industries. High speed video imaging, Laser Doppler Anemometry (LDA), X-ray and Gamma ray tomography are previously used to measure the two-phase flow characteristics in the cyclone. However, investigation of solids flow characteristics inside the cyclone is often impeded by the nature of the process due to slurry opaqueness and solid metal wall vessels. In this work, a dual-plane high speed Electrical resistance tomography (ERT) is used to measure hydrocyclone internal flow dynamics in situ. Experiments are carried out in 3 inch hydrocyclone for feed solid concentrations varying in the range of 0-50%. ERT data analysis through the optimized FEM mesh size and reconstruction algorithms on air-core and solid concentration tomograms is assessed. Results are presented in terms of the air-core diameter and solids volume fraction contours using Maxwell’s equation for various hydrocyclone operational parameters. It is confirmed by ERT that the air core occupied area and wall solids conductivity levels decreases with increasing the feed solids concentration. Algebraic slip mixture based multi-phase computational fluid dynamics (CFD) model is used to predict the air-core size and the solid concentrations in the hydrocyclone. Validation of air-core size and mean solid volume fractions by ERT measurements with the CFD simulations is attempted.

Keywords: air-core, electrical resistance tomography, hydrocyclone, multi-phase CFD

Procedia PDF Downloads 363