Search results for: pressure coefficient
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 5934

Search results for: pressure coefficient

1644 Comparative Study on Performance of Air-Cooled Condenser (ACC) Steel Platform Structures using SCBF Frames, Spatial Structures and CFST Frames

Authors: Hassan Gomar, Shahin Bagheri, Nader Keyvan, Mozhdeh Shirinzadeh

Abstract:

Air-Cooled Condenser (ACC) platform structures are the most complicated and principal structures in power plants and other industrial parts which need to condense the low-pressure steam in the cycle. Providing large spans for this structure has great merit as there would be more space for other subordinate buildings and pertinent equipment. Moreover, applying methods to reduce the overall cost of construction while maintaining its strength against severe seismic loading is of high significance. Tabular spatial structures and composite frames have been widely used in recent years to satisfy the need for higher strength at a reasonable price. In this research program, three different structural systems have been regarded for ACC steel platform using Special Concentrate Braced Frames (SCBF), which is the most common system (first scheme), modular spatial frames (second scheme) and finally, a modified method applying Concrete Filled Steel Tabular (CFST) columns (third scheme). The finite element method using Sap2000 and Etabs software was conducted to investigate the behavior of the structures and make a precise comparison between the models. According to the results, the total weight of the steel structure in the second scheme decreases by 13% compared to the first scheme and applying CFST columns in the third scheme causes a 3% reduction in the total weight of the structure in comparison with the second scheme while all the lateral displacements and P-M interaction ratios are in the admissible limit.

Keywords: ACC, SCBF frames, spatial structures, CFST frames

Procedia PDF Downloads 180
1643 Application of Data Driven Based Models as Early Warning Tools of High Stream Flow Events and Floods

Authors: Mohammed Seyam, Faridah Othman, Ahmed El-Shafie

Abstract:

The early warning of high stream flow events (HSF) and floods is an important aspect in the management of surface water and rivers systems. This process can be performed using either process-based models or data driven-based models such as artificial intelligence (AI) techniques. The main goal of this study is to develop efficient AI-based model for predicting the real-time hourly stream flow (Q) and apply it as early warning tool of HSF and floods in the downstream area of the Selangor River basin, taken here as a paradigm of humid tropical rivers in Southeast Asia. The performance of AI-based models has been improved through the integration of the lag time (Lt) estimation in the modelling process. A total of 8753 patterns of Q, water level, and rainfall hourly records representing one-year period (2011) were utilized in the modelling process. Six hydrological scenarios have been arranged through hypothetical cases of input variables to investigate how the changes in RF intensity in upstream stations can lead formation of floods. The initial SF was changed for each scenario in order to include wide range of hydrological situations in this study. The performance evaluation of the developed AI-based model shows that high correlation coefficient (R) between the observed and predicted Q is achieved. The AI-based model has been successfully employed in early warning throughout the advance detection of the hydrological conditions that could lead to formations of floods and HSF, where represented by three levels of severity (i.e., alert, warning, and danger). Based on the results of the scenarios, reaching the danger level in the downstream area required high RF intensity in at least two upstream areas. According to results of applications, it can be concluded that AI-based models are beneficial tools to the local authorities for flood control and awareness.

Keywords: floods, stream flow, hydrological modelling, hydrology, artificial intelligence

Procedia PDF Downloads 232
1642 Studies on Performance of an Airfoil and Its Simulation

Authors: Rajendra Roul

Abstract:

The main objective of the project is to bring attention towards the performance of an aerofoil when exposed to the fluid medium inside the wind tunnel. This project aims at involvement of civil as well as mechanical engineering thereby making itself as a multidisciplinary project. The airfoil of desired size is taken into consideration for the project to carry out effectively. An aerofoil is the shape of the wing or blade of propeller, rotor or turbine. Lot of experiment have been carried out through wind-tunnel keeping aerofoil as a reference object to make a future forecast regarding the design of turbine blade, car and aircraft. Lift and drag now become the major identification factor for any design industry which shows that wind tunnel testing along with software analysis (ANSYS) becomes the mandatory task for any researchers to forecast an aerodynamics design. This project is an initiative towards the mitigation of drag, better lift and analysis of wake surface profile by investigating the surface pressure distribution. The readings has been taken on airfoil model in Wind Tunnel Testing Machine (WTTM) at different air velocity 20m/sec, 25m/sec, 30m/sec and different angle of attack 00,50,100,150,200. Air velocity and pressures are measured in several ways in wind tunnel testing machine by use to measuring instruments like Anemometer and Multi tube manometer. Moreover to make the analysis more accurate Ansys fluent contribution become substantial and subsequently the CFD simulation results. Analysis on an Aerofoil have a wide spectrum of application other than aerodynamics including wind loads in the design of buildings and bridges for structural engineers.

Keywords: wind-tunnel, aerofoil, Ansys, multitube manometer

Procedia PDF Downloads 398
1641 Fabrication of Pure and Doped MAPbI3 Thin Films by One Step Chemical Vapor Deposition Method for Energy Harvesting Applications

Authors: S. V. N. Pammi, Soon-Gil Yoon

Abstract:

In the present study, we report a facile chemical vapor deposition (CVD) method for Perovskite MAPbI3 thin films by doping with Br and Cl. We performed a systematic optimization of CVD parameters such as deposition temperature, working pressure and annealing time and temperature to obtain high-quality films of CH3NH3PbI3, CH3NH3PbI3-xBrx and CH3NH3PbI3-xClx perovskite. Scanning electron microscopy and X-ray Diffraction pattern showed that the perovskite films have a large grain size when compared to traditional spin coated thin films. To the best of our knowledge, there are very few reports on highly quality perovskite thin films by various doping such as Br and Cl using one step CVD and there is scope for significant improvement in device efficiency. In addition, their band-gap can be conveniently and widely tuned via doping process. This deposition process produces perovskite thin films with large grain size, long diffusion length and high surface coverage. The enhancement of the output power, CH3NH3PbI3 (MAPbI3) dye films when compared to spin coated films and enhancement in output power by doping in doped films was demonstrated in detail. The facile one-step method for deposition of perovskite thin films shows a potential candidate for photovoltaic and energy harvesting applications.

Keywords: perovskite thin films, chemical vapor deposition, energy harvesting, photovoltaics

Procedia PDF Downloads 292
1640 Analysis of Two-Phase Flow Instabilities in Conventional Channel of Nuclear Power Reactor

Authors: M. Abdur Rashid Sarkar, Riffat Mahmud

Abstract:

Boiling heat transfer plays a crucial role in cooling nuclear reactor for safe electricity generation. A two phase flow is susceptible to thermal-hydrodynamic instabilities, which may cause flow oscillations of constant amplitude or diverging amplitude. These oscillations may induce boiling crisis, disturb control systems, or cause mechanical damage. Based on their mechanisms, various types of instabilities can be classified for a nuclear reactor. From a practical engineering point of view one of the major design difficulties in dealing with multiphase flow is that the mass, momentum, and energy transfer rates and processes may be quite sensitive to the geometric configuration of the heat transfer surface. Moreover, the flow within each phase or component will clearly depend on that geometric configuration. The complexity of this two-way coupling presents a major challenge in the study of multiphase flows and there is much that remains to be done. Yet, the parametric effects on flow instability such as the effect of aspect ratio, pressure drop, channel length, its orientation inlet subcooling and surface roughness etc. have been analyzed. Another frequently occurring instability, known as the Kelvin–Helmholtz instability has been briefly reviewed. Various analytical techniques for predicting parametric effect on the instability are analyzed in terms of their applicability and accuracy.

Keywords: two phase flows, boiling crisis, thermal-hydrodynamic instabilities, water cooled nuclear reactors, kelvin–helmholtz instability

Procedia PDF Downloads 379
1639 New Coating Materials Based on Mixtures of Shellac and Pectin for Pharmaceutical Products

Authors: M. Kumpugdee-Vollrath, M. Tabatabaeifar, M. Helmis

Abstract:

Shellac is a natural polyester resin secreted by insects. Pectins are natural, non-toxic and water-soluble polysaccharides extracted from the peels of citrus fruits or the leftovers of apples. Both polymers are allowed for the use in the pharmaceutical industry and as a food additive. SSB Aquagold® is the aqueous solution of shellac and can be used for a coating process as an enteric or controlled drug release polymer. In this study, tablets containing 10 mg methylene blue as a model drug were prepared with a rotary press. Those tablets were coated with mixtures of shellac and one of the pectin different types (i.e. CU 201, CU 501, CU 701 and CU 020) mostly in a 2:1 ratio or with pure shellac in a small scale fluidized bed apparatus. A stable, simple and reproducible three-stage coating process was successfully developed. The drug contents of the coated tablets were determined using UV-VIS spectrophotometer. The characterization of the surface and the film thickness were performed with the scanning electron microscopy (SEM) and the light microscopy. Release studies were performed in a dissolution apparatus with a basket. Most of the formulations were enteric coated. The dissolution profiles showed a delayed or sustained release with a lagtime of at least 4 h. Dissolution profiles of coated tablets with pure shellac had a very long lagtime ranging from 13 to 17.5 h and the slopes were quite high. The duration of the lagtime and the slope of the dissolution profiles could be adjusted by adding the proper type of pectin to the shellac formulation and by variation of the coating amount. In order to apply a coating formulation as a colon delivery system, the prepared film should be resistant against gastric fluid for at least 2 h and against intestinal fluid for 4-6 h. The required delay time was gained with most of the shellac-pectin polymer mixtures. The release profiles were fitted with the modified model of the Korsmeyer-Peppas equation and the Hixson-Crowell model. A correlation coefficient (R²) > 0.99 was obtained by Korsmeyer-Peppas equation.

Keywords: shellac, pectin, coating, fluidized bed, release, colon delivery system, kinetic, SEM, methylene blue

Procedia PDF Downloads 394
1638 Effect of Oral Immonoglobulin (IgY) Ingestion on Post Exercise Muscle Soreness and Muscle Damage Markers in Females

Authors: Bert H. Jacobson, Taylor Monaghan, John Sellers

Abstract:

Intense resistance-type activity generally elicits delayed onset muscle soreness (DOMS) in individuals unaccustomed to such action. DOMS is a combination of contractile tissue microtrauma, osmotic pressure changes, alteration calcium regulation, and inflammation. Elevated muscle-specific enzyme creatine kinase (CK) is a marker of striated muscle damage. Avian immunoglobulin (IgY) mediates inflammation and may thereby reduce post-exercise DOMS. Purpose: The aim of this study was to compare the effect of oral IgY and placebo (Pl) on CK, serum relevels, and perceived pain following induced DOMS. Methods: Healthy college-aged females (N=16) were randomly divided into an experimental group (IgY) and a control group (PL). CK serum levels were recorded followed by 14 days of supplementation of either IgY or Pl at the following doses: days 1-2 =4.5 g, days 3-5 =9.0 g, and days 6-14 =13.5 g. Following the 14 d, lower limb DOMS was induced using two methods of resistance training. After 48 hours, subjects reported for a second blood draw. Results: One-way ANOVA resulted in the IgY group posting significantly less (p < 0.05) serum CK than the PL group. Furthermore, the IgY group experienced significantly less post-test perceived soreness than the Pl group. Conclusion: IgY supplementation lessens muscle CK levels and perceived muscle soreness following exercise, possibly due to an anti-inflammatory effect. It was suggested that IgY may serve as a buffer for DOMS thereby allowing the participant to continue vigorous exercise without discomfort.

Keywords: muscle, soreness, damage, serum

Procedia PDF Downloads 183
1637 Simulation-Based Parametric Study for the Hybrid Superplastic Forming of AZ31

Authors: Fatima Ghassan Al-Abtah, Naser Al-Huniti, Elsadig Mahdi

Abstract:

As the lightest constructional metal on earth, magnesium alloys offer excellent potential for weight reduction in the transportation industry, and it was observed that some magnesium alloys exhibit superior ductility and superplastic behavior at high temperatures. The main limitation of the superplastic forming (SPF) includes the low production rate since it needs a long forming time for each part. Through this study, an SPF process that starts with a mechanical pre-forming stage is developed to promote formability and reduce forming time. A two-dimensional finite element model is used to simulate the process. The forming process consists of two steps. At the pre-forming step (deep drawing), the sheet is drawn into the die to a preselected level, using a mechanical punch, and at the second step (SPF) a pressurized gas is applied at a controlled rate. It is shown that a significant reduction in forming time and improved final thickness uniformity can be achieved when the hybrid forming technique is used, where the process achieved a fully formed part at 400°C. Investigation for the impact of different forming process parameters achieved by comparing forming time and the distribution of final thickness that were obtained from the simulation analysis. Maximum thinning decreased from over 67% to less than 55% and forming time significantly decreased by more than 6 minutes, and the required gas pressure profile was predicted for optimum forming process parameters based on the 0.001/sec target constant strain rate within the sheet.

Keywords: magnesium, plasticity, superplastic forming, finite element analysis

Procedia PDF Downloads 141
1636 Multifluid Computational Fluid Dynamics Simulation for Sawdust Gasification inside an Industrial Scale Fluidized Bed Gasifier

Authors: Vasujeet Singh, Pruthiviraj Nemalipuri, Vivek Vitankar, Harish Chandra Das

Abstract:

For the correct prediction of thermal and hydraulic performance (bed voidage, suspension density, pressure drop, heat transfer, and combustion kinetics), one should incorporate the correct parameters in the computational fluid dynamics simulation of a fluidized bed gasifier. Scarcity of fossil fuels, and to fulfill the energy demand of the increasing population, researchers need to shift their attention to the alternative to fossil fuels. The current research work focuses on hydrodynamics behavior and gasification of sawdust inside a 2D industrial scale FBG using the Eulerian-Eulerian multifluid model. The present numerical model is validated with experimental data. Further, this model extended for the prediction of gasification characteristics of sawdust by incorporating eight heterogeneous moisture release, volatile cracking, tar cracking, tar oxidation, char combustion, CO₂ gasification, steam gasification, methanation reaction, and five homogeneous oxidation of CO, CH₄, H₂, forward and backward water gas shift (WGS) reactions. In the result section, composition of gasification products is analyzed, along with the hydrodynamics of sawdust and sand phase, heat transfer between the gas, sand and sawdust, reaction rates of different homogeneous and heterogeneous reactions is being analyzed along the height of the domain.

Keywords: devolatilization, Eulerian-Eulerian, fluidized bed gasifier, mathematical modelling, sawdust gasification

Procedia PDF Downloads 91
1635 Prevalence of Selected Cardiovascular Risk Factors Obesity among University of Venda Staff

Authors: Avhasei Dorothy Rasifudi, Josephine Mandizha

Abstract:

Cardiovascular risk factors continue to be the leading cause of death in the majority of developed and developing countries. In 2011, the World Health Organization reported that every year an estimated 17 million people globally die of CVD, representing 30% of all global deaths, particularly caused by heart attacks and strokes. The purpose of the study was to determine and describe the prevalence of selected cardiovascular risk factors among university of Venda staff. A cross-sectional study was conducted among 100 staff aged 20-65 years. The anthropometric measurements were conducted in accordance to and with standardized procedures advocated by the International Society for the Advanced Kinanthropometry. Weight, Height, waist circumference and hip circumference were measured for calculation of body mass index and waist-hip ratio. Blood pressure was measured using a Heine cuff and sphygmomanometer. Questionnaire was administered to gather demographic details and cardiovascular risk factors of hypertension and obesity. Data were analyzed using mean and standard deviation. The parameter t-test was applied to test significance level at p ≤ 0.05 between sexes. The statistical significance was set at p ≤ 0.05. The prevalence of hypertension was 23% with the highest prevalence amongst those aged 40 years and above. Factors found to be to be significantly associated with hypertension were gender, age, physical inactivity and family history. Prevalence of obesity was 43%, with the highest prevalence among those aged 40 years. The factors associated with obesity were diet, age and physical activity. The prevalence of hypertension and obesity in the study were high.

Keywords: cardiovascular, prevalence, risk factors, staff

Procedia PDF Downloads 277
1634 Factors Contributing to Farmers’ Attitude Towards Climate Adaptation Farming Practices: A Farm Level Study in Bangladesh

Authors: Md Rezaul Karim, Farha Taznin

Abstract:

The purpose of this study was to assess and describe the individual and household characteristics of farmers, to measure the attitude of farmers towards climate adaptation farming practices and to explore the individual and household factors contributing in predicting their attitude towards climate adaptation farming practices. Data were collected through personal interviews using a pre-tested interview schedule. The data collection was done at Biral Upazila under Dinajpur district in Bangladesh from 1st November to 15 December 2018. Besides descriptive statistical parameters, Pearson’s Product Moment Correlation Coefficient (r), multiple regression and step-wise multiple regression analysis were used for the statistical analysis. Findings indicated that the highest proportion (77.6 percent) of the farmers had moderately favorable attitudes, followed by only 11.2 percent with highly favorable attitudes and 11.2 percent with slightly favorable attitudes towards climate adaptation farming practices. According to the computed correlation coefficients (r), among the 10 selected factors, five of them, such as education of household head, farm size, annual household income, organizational participation, and information access by extension services, had a significant relationship with the attitude of farmers towards climate-smart practices. The step-wise multiple regression results showed that two characteristics as education of household head and information access by extension services, contributed 26.2% and 5.1%, respectively, in predicting farmers' attitudes towards climate adaptation farming practices. In addition, more than two-thirds of farmers cited their opinion to the problems in response to ‘price of vermi species is high and it is not easily available’ as 1st ranked problem, followed by ‘lack of information for innovative climate-smart technologies’. This study suggests that policy implications are necessary to promote extension education and information services and overcome the obstacles to climate adaptation farming practices. It further recommends that research study should be conducted in diverse contexts of nationally or globally.

Keywords: factors, attitude, climate adaptation, farming practices, Bangladesh

Procedia PDF Downloads 71
1633 An Inflatable and Foldable Knee Exosuit Based on Intelligent Management of Biomechanical Energy

Authors: Jing Fang, Yao Cui, Mingming Wang, Shengli She, Jianping Yuan

Abstract:

Wearable robotics is a potential solution in aiding gait rehabilitation of lower limbs dyskinesia patients, such as knee osteoarthritis or stroke afflicted patients. Many wearable robots have been developed in the form of rigid exoskeletons, but their bulk devices, high cost and control complexity hinder their popularity in the field of gait rehabilitation. Thus, the development of a portable, compliant and low-cost wearable robot for gait rehabilitation is necessary. Inspired by Chinese traditional folding fans and balloon inflators, the authors present an inflatable, foldable and variable stiffness knee exosuit (IFVSKE) in this paper. The pneumatic actuator of IFVSKE was fabricated in the shape of folding fans by using thermoplastic polyurethane (TPU) fabric materials. The geometric and mechanical properties of IFVSKE were characterized with experimental methods. To assist the knee joint smartly, an intelligent control profile for IFVSKE was proposed based on the concept of full-cycle energy management of the biomechanical energy during human movement. The biomechanical energy of knee joints in a walking gait cycle of patients could be collected and released to assist the joint motion just by adjusting the inner pressure of IFVSKE. Finally, a healthy subject was involved to walk with and without the IFVSKE to evaluate the assisting effects.

Keywords: biomechanical energy management, knee exosuit, gait rehabilitation, wearable robotics

Procedia PDF Downloads 144
1632 Strength of Soft Clay Reinforced with Polypropylene Column

Authors: Muzamir Hasan, Anas Bazirgan

Abstract:

Granular columns is a technique that has the properties of improving bearing capacity, accelerating the dissipation of excess pore water pressure and reducing settlement in a weak soft soil. This research aims to investigate the role of Polypropylene column in improving the shear strength and compressibility of soft reconstituted kaolin clay by determining the effects of area replacement ratio, height penetrating ratio and volume replacement ratio of a singular Polypropylene column on the strength characteristics. Reinforced kaolin samples were subjected to Unconfined Compression (UCT) and Unconsolidated Undrained (UU) triaxial tests. The kaolin samples were 50 mm in diameter and 100 mm in height. Using the PP column reinforcement, with an area replacement ratio of 0.8, 0.5 and 0.3, shear strength increased approximately 5.27%, 26.22% and 64.28%, and 37.14%, 42.33% and 51.17%, for area replacement ratios of 25% and 10.24%. Meanwhile, UU testing showed an increase in shear strength of 24.01%, 23.17% and 23.49% and 28.79%, 27.29 and 30.81% for the same ratios. Based on the UCT results, the undrained shear strength generally increased with the decrease in height penetration ratio. However, based on the UU test results Mohr-Coulomb failure criteria, the installation of Polypropylene columns did not show any significant difference in effective friction angle. However, there was an increase in the apparent cohesion and undrained shear strength of the kaolin clay. In conclusion, Polypropylene column greatly improved the shear strength; and could therefore be implemented in reducing the cost of soil improvement as a replacement for non-renewable materials.

Keywords: polypropylene, UCT, UU test, Kaolin S300, ground improvement

Procedia PDF Downloads 314
1631 Merits and Demerits of Participation of Fellow Examinee as Subjects in Observed Structured Practical Examination in Physiology

Authors: Mohammad U. A. Khan, Md. D. Hossain

Abstract:

Background: Department of Physiology finds difficulty in managing ‘subjects’ in practical procedure. To avoid this difficulty fellow examinees of other group may be used as subjects. Objective: To find out the merits and demerits of using fellow examinees as subjects in the practical procedure. Method: This cross-sectional descriptive study was conducted in the Department of Physiology, Noakhali Medical College, Bangladesh during May-June’14. Forty-two 1st year undergraduate medical students from a selected public medical college of Bangladesh were enrolled for the study purposively. Consent of students and authority was taken. Eighteen of them were selected as subjects and designated as subject-examinees. Other fellow examinees (non-subject) examined their blood pressure and pulse as part of ‘observed structured practical examination’ (OSPE). The opinion of all examinees regarding the merits and demerits of using fellow examinee as subjects in the practical procedure was recorded. Result: Examinees stated that they could perform their practical procedure without nervousness (24/42, 57.14%), accurately and comfortably (14/42, 33.33%) and subjects were made available without wasting time (2/42, 4.76%). Nineteen students (45.24%) found no disadvantage and 2 (4.76%) felt embracing when the subject was of opposite sex. The subject-examinees narrated that they could learn from the errors done by their fellow examinee (11/18, 61.1%). 75% non-subject examinees expressed their willingness to be subject so that they can learn from their fellows’ error. Conclusion: Using fellow examinees as subjects is beneficial for both the non-subject and subject examinees. Funding sources: Navana, Beximco, Unihealth, Square & Acme Pharma, Bangladesh Ltd.

Keywords: physiology, teaching, practical, OSPE

Procedia PDF Downloads 134
1630 Effect of Brewing on the Bioactive Compounds of Coffee

Authors: Ceyda Dadali, Yeşim Elmaci

Abstract:

Coffee was introduced as an economic crop during the fifteenth century; nowadays it is the most important food commodity ranking second after crude oil. Desirable sensory properties make coffee one of the most often consumed and most popular beverages in the world. The coffee preparation method has a significant effect on flavor and composition of coffee brews. Three different extraction methodologies namely decoction, infusion and pressure methods have been used for coffee brew preparation. Each of these methods is related to specific granulation (coffee grind) of coffee powder, water-coffee ratio temperature and brewing time. Coffee is a mixture of 1500 chemical compounds. Chemical composition of coffee highly depends on brewing methods, coffee bean species and roasting time-temperature. Coffee contains a wide number of very important bioactive compounds, such as diterpenes: cafestol and kahweol, alkaloids: caffeine, theobromine and trigonelline, melanoidins, phenolic compounds. The phenolic compounds of coffee include chlorogenic acids (quinyl esters of hidroxycinnamic acids), caffeic, ferulic, p-coumaric acid. In coffee caffeoylquinic acids, feruloylquinic acids and di-caffeoylquinic acids are three main groups of chlorogenic acids constitues 6% -10% of dry weight of coffee. The bioavailability of chlorogenic acids in coffee depends on the absorption and metabolization to biomarkers in individuals. Also, the interaction of coffee polyphenols with other compounds such as dietary proteins affects the biomarkers. Since bioactive composition of coffee depends on brewing methods effect of coffee brewing method on bioactive compounds of coffee will be discussed in this study.

Keywords: bioactive compounds of coffee, biomarkers, coffee brew, effect of brewing

Procedia PDF Downloads 183
1629 Evaluation of the Effect of Milk Recording Intervals on the Accuracy of an Empirical Model Fitted to Dairy Sheep Lactations

Authors: L. Guevara, Glória L. S., Corea E. E, A. Ramírez-Zamora M., Salinas-Martinez J. A., Angeles-Hernandez J. C.

Abstract:

Mathematical models are useful for identifying the characteristics of sheep lactation curves to develop and implement improved strategies. However, the accuracy of these models is influenced by factors such as the recording regime, mainly the intervals between test day records (TDR). The current study aimed to evaluate the effect of different TDR intervals on the goodness of fit of the Wood model (WM) applied to dairy sheep lactations. A total of 4,494 weekly TDRs from 156 lactations of dairy crossbred sheep were analyzed. Three new databases were generated from the original weekly TDR data (7D), comprising intervals of 14(14D), 21(21D), and 28(28D) days. The parameters of WM were estimated using the “minpack.lm” package in the R software. The shape of the lactation curve (typical and atypical) was defined based on the WM parameters. The goodness of fit was evaluated using the mean square of prediction error (MSPE), Root of MSPE (RMSPE), Akaike´s Information Criterion (AIC), Bayesian´s Information Criterion (BIC), and the coefficient of correlation (r) between the actual and estimated total milk yield (TMY). WM showed an adequate estimate of TMY regardless of the TDR interval (P=0.21) and shape of the lactation curve (P=0.42). However, we found higher values of r for typical curves compared to atypical curves (0.9vs.0.74), with the highest values for the 28D interval (r=0.95). In the same way, we observed an overestimated peak yield (0.92vs.6.6 l) and underestimated time of peak yield (21.5vs.1.46) in atypical curves. The best values of RMSPE were observed for the 28D interval in both lactation curve shapes. The significant lowest values of AIC (P=0.001) and BIC (P=0.001) were shown by the 7D interval for typical and atypical curves. These results represent the first approach to define the adequate interval to record the regime of dairy sheep in Latin America and showed a better fitting for the Wood model using a 7D interval. However, it is possible to obtain good estimates of TMY using a 28D interval, which reduces the sampling frequency and would save additional costs to dairy sheep producers.

Keywords: gamma incomplete, ewes, shape curves, modeling

Procedia PDF Downloads 55
1628 Experimental Investigation on the Shear Strength Parameters of Sand-Slag Mixtures

Authors: Ayad Salih Sabbar, Amin Chegenizadeh, Hamid Nikraz

Abstract:

Utilizing waste materials in civil engineering applications has a positive influence on the environment by reducing carbon dioxide emissions and issues associated with waste disposal. Granulated blast furnace slag (GBFS) is a by-product of the iron and steel industry, with millions of tons of slag being annually produced worldwide. Slag has been widely used in structural engineering and for stabilizing clay soils; however, studies on the effect of slag on sandy soils are scarce. This article investigates the effect of slag content on shear strength parameters through direct shear tests and unconsolidated undrained triaxial tests on mixtures of Perth sand and slag. For this purpose, sand-slag mixtures, with slag contents of 2%, 4%, and 6% by weight of samples, were tested with direct shear tests under three normal stress values, namely 100 kPa, 150 kPa, and 200 kPa. Unconsolidated undrained triaxial tests were performed under a single confining pressure of 100 kPa and relative density of 80%. The internal friction angles and shear stresses of the mixtures were determined via the direct shear tests, demonstrating that shear stresses increased with increasing normal stress and the internal friction angles and cohesion increased with increasing slag. There were no significant differences in shear stresses parameters when slag content rose from 4% to 6%. The unconsolidated undrained triaxial tests demonstrated that shear strength increased with increasing slag content.

Keywords: direct shear, shear strength, slag, UU test

Procedia PDF Downloads 463
1627 Realization and Characterizations of Conducting Ceramics Based on ZnO Doped by TiO₂, Al₂O₃ and MgO

Authors: Qianying Sun, Abdelhadi Kassiba, Guorong Li

Abstract:

ZnO with wurtzite structure is a well-known semiconducting oxide (SCO), being applied in thermoelectric devices, varistors, gas sensors, transparent electrodes, solar cells, liquid crystal displays, piezoelectric and electro-optical devices. Intrinsically, ZnO is weakly n-type SCO due to native defects (Znⱼ, Vₒ). However, the substitutional doping by metallic elements as (Al, Ti) gives rise to a high n-type conductivity ensured by donor centers. Under CO+N₂ sintering atmosphere, Schottky barriers of ZnO ceramics will be suppressed by lowering the concentration of acceptors at grain boundaries and then inducing a large increase in the Hall mobility, thereby increasing the conductivity. The presented work concerns ZnO based ceramics, which are fabricated with doping by TiO₂ (0.50mol%), Al₂O₃ (0.25mol%) and MgO (1.00mol%) and sintering in different atmospheres (Air (A), N₂ (N), CO+N₂(C)). We obtained uniform, dense ceramics with ZnO as the main phase and Zn₂TiO₄ spinel as a secondary and minor phase. An important increase of the conductivity was shown for the samples A, N, and C which were sintered under different atmospheres. The highest conductivity (σ = 1.52×10⁵ S·m⁻¹) was obtained under the reducing atmosphere (CO). The role of doping was investigated with the aim to identify the local environment and valence states of the doping elements. Thus, Electron paramagnetic spectroscopy (EPR) determines the concentration of defects and the effects of charge carriers in ZnO ceramics as a function of the sintering atmospheres. The relation between conductivity and defects concentration shows the opposite behavior between these parameters suggesting that defects act as traps for charge carriers. For Al ions, nuclear magnetic resonance (NMR) technique was used to identify the involved local coordination of these ions. Beyond the six and forth coordinated Al, an additional NMR signature of ZnO based TCO requires analysis taking into account the grain boundaries and the conductivity through the Knight shift effects. From the thermal evolution of the conductivity as a function of the sintering atmosphere, we succeed in defining the conditions to realize ZnO based TCO ceramics with an important thermal coefficient of resistance (TCR) which is promising for electrical safety of devices.

Keywords: ceramics, conductivity, defects, TCO, ZnO

Procedia PDF Downloads 176
1626 Mechanical Properties of Powder Metallurgy Processed Biodegradable Zn-Based Alloy for Biomedical Application

Authors: Maruf Yinka Kolawole, Jacob Olayiwola Aweda, Farasat Iqbal, Asif Ali, Sulaiman Abdulkareem

Abstract:

Zinc is a non-ferrous metal with potential application in orthopaedic implant materials. However, its poor mechanical properties were major challenge to its application. Therefore, this paper studies the mechanical properties of biodegradable Zn-based alloy for biomedical application. Pure zinc powder with varying (0, 1, 2, 3 & 6) wt% of magnesium powders were ball milled using ball-to-powder ratio (B:P) of 10:1 at 350 rpm for 4 hours. The resulting milled powders were compacted and sintered at 300 MPa and 350 °C respectively. Microstructural, phase and mechanical properties analyses were performed following American standard of testing and measurement. The results show that magnesium has influence on the mechanical properties of zinc. The compressive strength, hardness and elastic modulus of 210 ± 8.878 MPa, 76 ± 5.707 HV and 45 ± 11.616 GPa respectively as obtained in Zn-2Mg alloy were optimum and meet the minimum requirement of biodegradable metal for orthopaedics application. These results indicate an increase of 111, 93 and 93% in compressive strength, hardness and elastic modulus respectively as compared to pure zinc. The increase in mechanical properties was adduced to effectiveness of compaction pressure and intermetallic phase formation within the matrix resulting in high dislocation density for improving strength. The study concluded that, Zn-2Mg alloy with optimum mechanical properties can therefore be considered a potential candidate for orthopaedic application.

Keywords: Biodegradable metal, Biomedical application, Mechanical properties, Powder Metallurgy, Zinc

Procedia PDF Downloads 126
1625 Retrospective Insight on the Changing Status of the Romanian Language Spoken in the Republic of Moldova

Authors: Gina Aurora Necula

Abstract:

From its transformation into a taboo and its hiding under the so-called “Moldovan language” or under the euphemistic expression “state language” to its regained status recognition as an official language, the Romanian language spoken in the Republic of Moldova has undergone impressive reforms in the last 60 years. Meant to erase the awareness of citizens’ ethnic identity and turn a majority language into a minority one, all the laws and regulations issued on the field succeeded into setting numerous barriers for speakers of Romanian. Either manifested as social constraints or materialized into assumed rejection of mother tongue usage, all these laws have demonstrated their usefulness and major impact on the Romanian-speaking population. This article is the result of our research carried out over 10 years with the support of students, and Moldovan citizens, from the master's degree program "Romanian language - identity and cultural awareness." We present here a retrospective insight of the reforms, laws, and regulations that contributed to the shifted status of the Romanian language from the official language, seen as the language of common use both in the public and private spheres, in the minority language that surrendered its privileged place to the Russian language, firstly in the public sphere, and then, slowly but surely, in the private sphere. Our main goal here is to identify and make speakers understand what the barriers to learning Romanian language are nowadays when the social pressure on using Russian no longer exists.

Keywords: linguistic barriers, lingua franca, private sphere, public sphere, reformation

Procedia PDF Downloads 99
1624 Emerging Issues of Non-Communicable Diseases among Older Persons in India

Authors: Dhananjay W. Bansod, Santosh Phad

Abstract:

Non-Communicable Diseases (NCD) are major contributing factors to the disease burden in the world as well as in India. With a growing proportion of older persons in India gives rise to several challenges. With the advancement of age, elderly is exposed to various kinds of health problems more specifically NCDs. Therefore, an effort has been made to examine the prevalence of NCDs among older persons and its treatment-seeking behaviour, also it is tried to explore the association between the NCDs and its effect on the overall wellbeing of older persons. Data used from “Building Knowledge Base of Population Ageing Survey” conducted in 2011 in seven states of India. Six chronic diseases used (non-communicable diseases) namely Arthritis, Hypertension, Cataract, Diabetes, Asthma and Heart diseases to understand the issues related to NCDs. Also seen the effect of NCDs on the wellbeing of the elderly, the subjective well-being consists of nine questions from which SUBI score generated for mental health status, which ranges from 9 to 27. This Index indicates that lower the score better is the mental health status. Further, this index modified and generated three categories of Better (9-15), Average (16-20) and Worse (21-27). The reliability analysis is carried out with the coefficient (Cronbach’s alpha) of the scale was 0.8884. The result shows that Orthopedic / musculoskeletal ailments involving arthritis, rheumatism and osteoarthritis are the most common type of ailment followed by hypertension. Two-thirds of the elderly reported suffering from at least one chronic ailment. Most chronic illness conditions received some form of treatment and mainly depend on public health facilities. Financial insecurity is the primary obstruction in seeking treatment for most of the chronic ailments which typically require a longer duration of medication and repeated medical consultations, both having significant economic implications. According to SUBI index, only 15 per cent of the elderly are in Better mental health status, and one-third of the elderly are with the worse score. Elderly with the ailments like Cataract, Asthma and Arthritis have worse mental health. It depicts that the burden of disease is more among the elderly and it is directly affecting the overall wellbeing of older persons.

Keywords: NCD, well-being, older person, India

Procedia PDF Downloads 131
1623 Psychometric Characteristics of the Persian Version of the Revised Caregiving Appraisal Scale in Iranian Family Caregivers of Older Adults with Dementia

Authors: Akram Farhadi, Mahshid Froughan, Farahnaz Mohammadi, Maryam Rassouli, Maryam Noroozian, Leila Sadeghmoghaddam

Abstract:

Background: The caregivers’ assessment of their own caregiving is considered the most important concept in exploring their experiences and has a major role in care outcomes. The rising number of people with dementia and their need for care makes family caregiving really important matter to consider and evaluate. Objectives: This study was conducted with the aim to naturalize and validate the Persian version of the Revised Caregiving Appraisal Scale (RCAS) in family caregivers of older adults with dementia. Patients and Method: In this cross-sectional methodological study, the Revised Caregiving Appraisal Scale (RCAS) was translated using International Quality of Life Assessment (IQOLA) protocol, and then a panel of experts examined its face and content validities. To ensure construct validity, the translated Revised Caregiving Appraisal Scale (RCAS) was completed by 236 family caregivers, and factor construct of the scale was assessed with 5 initial factors using confirmatory factor analysis. Internal consistency was found using Cronbach's alpha, and test-retest using intraclass correlation coefficient. Confirmatory factor analysis was performed in LISREL-8.8 software in Windows®. Results: Participating caregivers' mean age was 53.5±13.13 years. Content and face validities of the scale were confirmed according to the views expressed by family caregivers and panel of experts. The confirmatory factor analysis (CFA) results showed appropriate values for all fitness indices (RMSEA=0.046, df/X2=2.428, CFI=0.98, AGFI=0.84, GFI=0.9), and the 5-factor model was confirmed with 27 items. Overall Cronbach's alpha was reported 0.894, and test retest showed overall ICC=0.94. Conclusion: The Persian version of RCAS is a valid and reliable tool for family caregivers' assessment of their caregiving of older adults with dementia, and can be useful in assessing family caregiving interventions.

Keywords: psychometric, family caregivers, reliability and validity, elderly, dementia, self-appraisal

Procedia PDF Downloads 219
1622 Effect of 16 Weeks Walking with Different Dosages on Psychosocial Function Related Quality of Life among 60 to 75 Years Old Men

Authors: Mohammad Ehsani, Elham Karimi, Hashem Koozechian

Abstract:

Aim: The purpose of current semi-experimental study was a survey on effect of 16 week walking on psychosocial function related quality of life among 60 to 75 years old men. Methodology: For this reason, short from of health – related quality of life questionnaire (SF – 36) and Geriatric Depression Scale (GDS) had been distributed to the subjects at 2 times of pre – test and posttest. Statistical sample of current study was 60 to 75 years old men who placed at Kahrizak house and assessed by considering physically and medical background. Also factors of entrance to the intervention like age range, have satisfaction and have intent to participating in walking program, lack of having diabetic, cardiovascular, Parkinsonism diseases and postural, neurological, musculoskeletal disorders, lack of having clinical background like visual disorders or disordering on equilibrium system, lack of motor limitation, foot print disorders, having surgery and mental health had been determined and assessed. Finally after primary studies, 80 persons selected and categorized accidentally to the 3 experimental group (1, 2, 3 sessions per week, 30 min walking with moderate intension at every sessions) and one control group (without physical activity in period of 16 weeks). Data analysed by employing ANOVA, Pearson coefficient and Scheffe Post – Hoc tests at the significance level of p < 0.05. Results: Results showed that psychosocial function of men with 60 to 75 years old increase by influence of 16 week walking and increase of exercise sessions lead to more effectiveness of walking. Also there was no significant difference between psychosocial function of subjects within 1 session and 3 sessions experimental groups (p > 0.05). Conclusion: On the basis of results, we can say that doing regular walking with efficient and standard dosage for elderly people, can increase their quality of life. Furthermore, designing and action operation regular walking program for elderly men on the basis of special, logical and systematic pattern under the supervision of aware coaches have been recommended on the basis of results.

Keywords: walking, quality of life, psychosocial function, elders

Procedia PDF Downloads 572
1621 A Method for Evaluating the Mechanical Stress on Mandibular Advancement Devices

Authors: Tsung-yin Lin, Yi-yu Lee, Ching-hua Hung

Abstract:

Snoring, the lay term for obstructive breathing during sleep, is one of the most prevalent of obnoxious human habits. Loud snoring usually makes others feel noisy and uncomfortable. Snoring also influences the sleep quality of snorers’ bed partners, because of the noise they do not get to sleep easily. Snoring causes the reduce of sleep quality leading to several medical problems, such as excessive daytime sleepiness, high blood pressure, increased risk for cardiovascular disease and cerebral vascular accident, and etc. There are many non-prescription devices offered for sale on the market, but very limited data are available to support a beneficial effect of these devices on snoring and use in treating obstructive sleep apnea (OSA). Mandibular advancement devices (MADs), also termed as the Mandibular reposition devices (MRDs) are removable devices which are worn at night during sleep. Most devices require dental impression, bite registration, and fabrication by a dental laboratory. Those devices are fixed to upper and lower teeth and are adjusted to advance the mandible. The amount of protrusion is adjusted to meet the therapeutic requirements, comfort, and tolerance. Many devices have a fixed degree of advancement. Some are adjustable in a limited degree. This study focuses on the stress analysis of Mandibular Advancement Devices (MADs), which are considered as a standard treatment of snoring that promoted by American Academy of Sleep Medicine (AASM). This paper proposes a new MAD design, and the finite element analysis (FEA) is introduced to precede the stress simulation for this MAD.

Keywords: finite element analysis, mandibular advancement devices, mechanical stress, snoring

Procedia PDF Downloads 347
1620 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 480
1619 Removal of Gaseous Pollutant from the Flue Gas in a Submerged Self-Priming Venturi Scrubber

Authors: Manisha Bal, B. C. Meikap

Abstract:

Hydrogen chloride is the most common acid gas emitted by the industries. HCl gas is listed as Title III hazardous air pollutant. It causes severe threat to the human health as well as environment. So, removal of HCl from flue gases is very imperative. In the present study, submerged self-priming venturi scrubber is chosen to remove the HCl gas with water as a scrubbing liquid. Venturi scrubber is the most popular device for the removal of gaseous pollutants. Main mechanism behind the venturi scrubber is the polluted gas stream enters at converging section which accelerated to maximum velocity at throat section. A very interesting thing in case of submerged condition, venturi scrubber is submerged inside the liquid tank and liquid is entered at throat section because of suction created due to large pressure drop generated at the throat section. Maximized throat gas velocity atomizes the entered liquid into number of tiny droplets. Gaseous pollutant HCl is absorbed from gas to liquid droplets inside the venturi scrubber due to interaction between the gas and water. Experiments were conducted at different throat gas velocity, water level and inlet concentration of HCl to enhance the HCl removal efficiency. The effect of throat gas velocity, inlet concentration of HCl, and water level on removal efficiency of venturi scrubber has been evaluated. Present system yielded very high removal efficiency for the scrubbing of HCl gas which is more than 90%. It is also concluded that the removal efficiency of HCl increases with increasing throat gas velocity, inlet HCl concentration, and water level height.

Keywords: air pollution, HCl scrubbing, mass transfer, self-priming venturi scrubber

Procedia PDF Downloads 129
1618 Microstructural Characterization of Creep Damage Evolution in Welded Inconel 600 Superalloy

Authors: Lourdes Yareth Herrera-Chavez, Alberto Ruiz, Victor H. Lopez

Abstract:

Superalloys are used in components that operate at high temperatures such as pressure vessels and heat exchanger tubing. Design standards for these components must consider creep resistance among other criteria. Fusion welding processes are commonly used in the industry to join such components. Fusion processes commonly generate three distinctive zones, i.e. heat affected zone (HAZ), namely weld metal (WM) and base metal (BM). In nickel-based superalloy, the microstructure developed during fusion welding dictates the mechanical response of the welded component and it is very important to establish these effects in the mechanical response of the component. In this work, two plates of Inconel 600 superalloy were Gas Metal Arc Welded (GMAW). Creep samples were cut and milled to specifications and creep tested at a temperature (650 °C) using stress level of 350, 300, 275, 250 and 200 MPa. Microstructural analysis results showed a progressive creep damage evolution that depends on the stress levels with a preferential accumulation of creep damage at the heat affected zone where the creep rupture preferentially occurs owing to an austenitic matrix with grain boundary precipitated of the type Cr23C6. The fractured surfaces showed dimple patterns of cavity and voids. Results indicated that the damage mechanism is due to cavity growth by the combined effect of the power law and diffusion creep.

Keywords: austenitic microstructure, creep damage evolution, heat affected zone, vickers microhardness

Procedia PDF Downloads 187
1617 Excision and Reconstruction of a Hypertrophic and Functional Bleb with Bovine Pericardium (Tutopatch®) and Amniotic Membrane: A Case Report

Authors: Blanca Fatela Cantillo, Silvia Iglesias Cerrato, Guadalupe Garrido Ceca

Abstract:

Purpose: Bleb dysfunction is a late complication following glaucoma filtration surgery. We describe our surgical technique for excision and reconstruction of a hypertrophic bleb complication using bovine pericardium patch graft (Tutopatch®) and amniotic membrane. Material and methods: The case report presents a hypertrophic bleb over the cornea with good intraocular pressure control. The hanging bleb without leak caused dysesthesia and high irregular astigmatism. Bleb reconstruction involved the excision of corneal fibrous material and avascular conjunctiva, preserving the original scleral and tennon. Bovine pericardium patch graft (Tutopatch®) was sited over these with fixed sutures, reinforcing the underlying scleral, and the conjunctiva advanced. The superior epithelium corneal defect was covered using an amniotic membrane. Conclusion: Repair of bleb dysfunction with varied techniques has been reported, including conjunctival advancement, use of scleral patch graft, dural patch graft, or pericardium. Additional use of amniotic membrane promotes epithelialization and exhibits anti-fibrotic and anti-inflammatory features. Reconstruction with bovine pericardium patch graft and amniotic membrane resulted in pain relief, visual rehabilitation, and good aesthetic results, with preservation of bleb function.

Keywords: reconstruction, hypertrophic bleb, bovine pericardium, amniotic membrane, dysesthesia of the bleb

Procedia PDF Downloads 66
1616 Development and Validation of a Liquid Chromatographic Method for the Quantification of Related Substance in Gentamicin Drug Substances

Authors: Sofiqul Islam, V. Murugan, Prema Kumari, Hari

Abstract:

Gentamicin is a broad spectrum water-soluble aminoglycoside antibiotics produced by the fermentation process of microorganism known as Micromonospora purpurea. It is widely used for the treatment of infection caused by both gram positive and gram negative bacteria. Gentamicin consists of a mixture of aminoglycoside components like C1, C1a, C2a, and C2. The molecular structure of Gentamicin and its related substances showed that it has lack of presence of chromophore group in the molecule due to which the detection of such components were quite critical and challenging. In this study, a simple Reversed Phase-High Performance Liquid Chromatographic (RP-HPLC) method using ultraviolet (UV) detector was developed and validated for quantification of the related substances present in Gentamicin drug substances. The method was achieved by using Thermo Scientific Hypersil Gold analytical column (150 x 4.6 mm, 5 µm particle size) with isocratic elution composed of methanol: water: glacial acetic acid: sodium hexane sulfonate in the ratio 70:25:5:3 % v/v/v/w as a mobile phase at a flow rate of 0.5 mL/min, column temperature was maintained at 30 °C and detection wavelength of 330 nm. The four components of Gentamicin namely Gentamicin C1, C1a, C2a, and C2 were well separated along with the related substance present in Gentamicin. The Limit of Quantification (LOQ) values were found to be at 0.0075 mg/mL. The accuracy of the method was quite satisfactory in which the % recovery was resulted between 95-105% for the related substances. The correlation coefficient (≥ 0.995) shows the linearity response against concentration over the range of Limit of Quantification (LOQ). Precision studies showed the % Relative Standard Deviation (RSD) values less than 5% for its related substance. The method was validated in accordance with the International Conference of Harmonization (ICH) guideline with various parameters like system suitability, specificity, precision, linearity, accuracy, limit of quantification, and robustness. This proposed method was easy and suitable for use for the quantification of related substances in routine analysis of Gentamicin formulations.

Keywords: reversed phase-high performance liquid chromatographic (RP-HPLC), high performance liquid chromatography, gentamicin, isocratic, ultraviolet

Procedia PDF Downloads 148
1615 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