Search results for: bond tensile strength
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 4516

Search results for: bond tensile strength

3076 Investigation of Bending Behavior of Ultra High Performance Concrete with Steel and Glass Fiber Polymer Reinforcement

Authors: Can Otuzbir

Abstract:

It is one of the most difficult areas of civil engineering to provide long-lasting structures with the rapid development of concrete and reinforced concrete structures. Concrete is a living material, and the structure where the concrete is located is constantly exposed to external influences. One of these effects is reinforcement corrosion. Reinforcement corrosion of reinforced concrete structures leads to a significant decrease in the carrying capacity of the structural elements, as well as reduced service life. It is undesirable that the service life should be completed sooner than expected. In recent years, advances in glass fiber technology and its use with concrete have developed rapidly. As a result of inability to protect steel reinforcements against corrosion, fiberglass reinforcements have started to be investigated as an alternative material to steel reinforcements, and researches and experimental studies are still continuing. Glass fiber reinforcements have become an alternative material to steel reinforcement because they are resistant to corrosion, lightweight and simple to install compared to steel reinforcement. Glass fiber reinforcements are not corroded and have higher tensile strength, longer life, lighter and insulating properties compared to steel reinforcement. In experimental studies, glass fiber reinforcements have been shown to show superior mechanical properties similar to beams produced with steel reinforcement. The performance of long-term use of glass fiber fibers continues with accelerated experimental studies.

Keywords: glass fiber polymer reinforcement, steel fiber concrete, ultra high performance concrete, bending, GFRP

Procedia PDF Downloads 127
3075 Mechanical Properties and Crack Extension Mechanism of Rock Contained Blocks Under Uniaxial Compression

Authors: Ruiyang Bi

Abstract:

Natural rock masses are cut into rock blocks of different shapes and sizes by intersecting joints. These rock blocks often determine the mechanical properties of the rock mass. In this study, fine sandstone cube specimens were produced, and three intersecting joint cracks were cut inside the specimen. Uniaxial compression tests were conducted using mechanical tests and numerical simulation methods to study the mechanical properties and crack propagation mechanism of triangular blocks within the rock. During the test, the mechanical strength, acoustic emission characteristics and strain field evolution of the specimen were analyzed. Discrete element software was used to study the expansion of microcracks during the specimen failure process, and the crack types were divided. The simulation results show that as the inclination angles of the three joints increase simultaneously, the mechanical strength of the specimen first decreases and then increases, and the crack type is mainly shear. As the inclination angle of a single joint increases, the strength of the specimen gradually decreases. When the inclination angles of the two joints increase at the same time, the strength of the specimen gradually decreases. The research results show that the stability of the rock mass is affected by the joint inclination angle and the size of the cut blocks. The greater the joint dip and block size, the more significant the development of micro-cracks in the rock mass, and the worse the stability.

Keywords: rock joints, uniaxial compression, crack extension, discrete element simulation

Procedia PDF Downloads 64
3074 Effect of Tensile Strain on Microstructure of Irradiated Core Internal Material

Authors: Hygreeva Kiran Namburi, Anna Hojna, Edita Lecianova, Fencl Zdenek

Abstract:

Irradiation Assisted Stress Corrosion Cracking [IASCC] is one of the most significant environmental degradation in the internal components made from Austenitic stainless steel. This mechanism is still not fully understood and there are no suitable criteria for prediction of the damage during operation. In this work, core basket material 08Ch18N10T austenitic stainless steel acquired from decommissioned NPP Nord / Greifswald Unit 1, VVER 440-230 type, operated for 15 years and irradiated at 5.2 dpa is studied. This material was tensile tested at two different test temperatures and strain rates in air and at the elevated temperature under the water environment. SEM observations of the fracture surface documented ductile fracture of the samples tested in air, but areas of IASCC tested in water. This paper emphasizes on the microscopic examination results from the mechanically tested samples to determine the underlying IASCC physical damage process. TEM observations of thin foils made from the gauge sections that are closer to the fractured surface of the specimen aimed to find variances in interaction of dislocations and grain boundaries owing to different test conditions.

Keywords: irradiation assisted stress corrosion cracking, core basket material, SEM observations of the fracture surface, microscopic examination results

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3073 Low-Complex, High-Fidelity Two-Grades Cyclo-Olefin Copolymer (COC) Based Thermal Bonding Technique for Sealing a Thermoplastic Microfluidic Biosensor

Authors: Jorge Prada, Christina Cordes, Carsten Harms, Walter Lang

Abstract:

The development of microfluidic-based biosensors over the last years has shown an increasing employ of thermoplastic polymers as constitutive material. Their low-cost production, high replication fidelity, biocompatibility and optical-mechanical properties are sought after for the implementation of disposable albeit functional lab-on-chip solutions. Among the range of thermoplastic materials on use, the Cyclo-Olefin Copolymer (COC) stands out due to its optical transparency, which makes it a frequent choice as manufacturing material for fluorescence-based biosensors. Moreover, several processing techniques to complete a closed COC microfluidic biosensor have been discussed in the literature. The reported techniques differ however in their implementation, and therefore potentially add more or less complexity when using it in a mass production process. This work introduces and reports results on the application of a purely thermal bonding process between COC substrates, which were produced by the hot-embossing process, and COC foils containing screen-printed circuits. The proposed procedure takes advantage of the transition temperature difference between two COC grades foils to accomplish the sealing of the microfluidic channels. Patterned heat injection to the COC foil through the COC substrate is applied, resulting in consistent channel geometry uniformity. Measurements on bond strength and bursting pressure are shown, suggesting that this purely thermal bonding process potentially renders a technique which can be easily adapted into the thermoplastic microfluidic chip production workflow, while enables a low-cost as well as high-quality COC biosensor manufacturing process.

Keywords: biosensor, cyclo-olefin copolymer, hot embossing, thermal bonding, thermoplastics

Procedia PDF Downloads 238
3072 Kenaf MDF Panels with Soy Based Adhesive. The Influence of Preparation Parameters on Physciomechanical Properties

Authors: Imtiaz Ali, Krishnan Jayaraman, Debes Bhattacharyya

Abstract:

Soybean concentrate is abundant material and renewable product that is recently been explored as an alternative to conventional formaldehyde based resins in wood based products. The main goal of this study is to evaluate the technical feasibility of manufacturing environment friendly MDF panels from renewable resources. The panels are made by using kenaf bast fibers (KB) as wood substitute and soy based adhesive as bonding material. Second order response surface regression models are used to understand the effects and interactions of resin content (RC) and pressing time (PT) on the mechanical and water soaking properties of kenaf panels. The mechanical and water soaking properties are significantly improved as the RC increased and reached at the highest level at maximum resin loading (12%). The effect of pressing time is significant in the first phase when the pressing time increased from 4 to 6 min; however the effect was not as significant when pressing time further increased to 8 min. The second order regression equations further confirm that the variation in process parameters has strong relationship with the physciomechanical properties. The MDF panels the minimum requirements of internal bond strength, modulus of rupture and modulus of elasticity as recommended by US wood MDF standard specifications for G110, G120, G130 and G140 grade MDF panels. However, the thickness swelling results are considerably poorer than the recommended values of general purpose standard requirements. This deficiency can be counterbalanced by the advantage of being formaldehyde free panels made from renewable sources and by making them suitable alternative for less humid environment applications.

Keywords: kenaf, Medium density fibreboard, soy adhesive, mechanical properties, water soaking properties

Procedia PDF Downloads 375
3071 High Performance Concrete Using “BAUT” (Metal Aggregates) the Gateway to New Concrete Technology for Mega Structures

Authors: Arjun, Gautam, Sanjeev Naval

Abstract:

Concrete technology has been changing rapidly and constantly since its discovery. Concrete is the most widely used man-made construction material, versatility of making concrete is the 2nd largest consumed material on earth. In this paper an effort has been made to use metal aggregates in concrete has been discussed, the metal aggregates has been named as “BAUT” which had outstandingly qualities to resist shear, tension and compression forces. In this paper, COARSE BAUT AGGREGATES (C.B.A.) 10mm & 20mm and FINE BAUT AGGREGATES (F.B.A.) 3mm were divided and used for making high performance concrete (H.P.C). This “BAUT” had cutting edge technology through draft and design by the use of Auto CAD, ANSYS software can be used effectively In this research paper we study high performance concrete (H.P.C) with “BAUT” and consider the grade of M65 and finally we achieved the result of 90-95 Mpa (high compressive strength) for mega structures and irregular structures where center of gravity (CG) is not balanced. High Performance BAUT Concrete is the extraordinary qualities like long-term performance, no sorptivity by BAUT AGGREGATES, better rheological, mechanical and durability proportion that conventional concrete. This high strength BAUT concrete using “BAUT” is applied in the construction of mega structure like skyscrapers, dam, marine/offshore structures, nuclear power plants, bridges, blats and impact resistance structures. High Performance BAUT Concrete which is a controlled concrete possesses invariable high strength, reasonable workability and negligibly permeability as compare to conventional concrete by the mix of Super Plasticizers (SMF), silica fume and fly ash.

Keywords: BAUT, High Strength Concrete, High Performance Concrete, Fine BAUT Aggregate, Coarse BAUT Aggregate, metal aggregates, cutting edge technology

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3070 Theoretical Study of Substitutional Phosphorus and Nitrogen Pairs in Diamond

Authors: Tahani Amutairi, Paul May, Neil Allan

Abstract:

Many properties of semiconductor materials (mechanical, electronic, magnetic, and optical) can be significantly modified by introducing a point defect. Diamond offers extraordinary properties as a semiconductor, and doping seems to be a viable method of solving the problem associated with the fabrication of diamond-based electronic devices in order to exploit those properties. The dopants are believed to play a significant role in reducing the energy barrier to conduction and controlling the mobility of the carriers and the resistivity of the film. Although it has been proven that the n-type diamond semiconductor can be obtained with phosphorus doping, the resulting ionisation energy and mobility are still inadequate for practical application. Theoretical studies have revealed that this is partly because the effects of the many phosphorus atoms incorporated in the diamond lattice are compensated by acceptor states. Using spin-polarised hybrid density functional theory and a supercell approach, we explored the effects of bonding one N atom to a P in adjacent substitutional sites in diamond. A range of hybrid functional, including HSE06, B3LYP, PBE0, PBEsol0, and PBE0-13, were used to calculate the formation, binding, and ionisation energies, in order to explore the solubility and stability of the point defect. The equilibrium geometry and the magnetic and electronic structures were analysed and presented in detail. The defect introduces a unique reconstruction in a diamond where one of the C atoms coordinated with the N atom involved in the elongated C-N bond and creates a new bond with the P atom. The simulated infrared spectra of phosphorus-nitrogen defects were investigated with different supercell sizes and found to contain two sharp peaks at the edges of the spectrum, one at a high frequency 1,379 cm⁻¹ and the second appearing at the end range, 234 cm⁻¹, as obtained with the largest supercell (216).

Keywords: DFT, HSE06, B3LYP, PBE0, PBEsol0, PBE0-13

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3069 Relationship Demise After Having Children: An Analysis of Abandonment and Nuclear Family Structure vs. Supportive Community Cultures

Authors: John W. Travis

Abstract:

There is an epidemic of couples separating after a child is born into a family, generally with the father leaving emotionally or physically in the first few years after birth. This separation creates high levels of stress for both parents, especially the primary parent, leaving her (or him) less available to the infant for healthy attachment and nurturing. The deterioration of the couple’s bond leaves parents increasingly under-resourced, and the dependent child in a compromised environment, with an increased likelihood of developing an attachment disorder. Objectives: To understand the dynamics of a couple, once the additional and extensive demands of a newborn are added to a nuclear family structure, and to identify effective ways to support all members of the family to thrive. Qualitative studies interviewed men, women, and couples after pregnancy and the early years as a family, regarding key destructive factors, as well as effective tools for the couple to retain a strong bond. In-depth analysis of a few cases, including the author’s own experience, reveal deeper insights about subtle factors, replicated in wider studies. Using a self-assessment survey, many fathers report feeling abandoned, due to the close bond of the mother-baby unit, and in turn, withdrawing themselves, leaving the mother without support and closeness to resource her for the baby. Fathers report various types of abandonment, from his partner to his mother, with whom he did not experience adequate connection as a child. The study identified a key destructive factor to be unrecognized wounding from childhood that was carried into the relationship. The study culminated in the naming of Male Postpartum Abandonment Syndrome (MPAS), describing the epidemic in industrialized cultures with the nuclear family as the primary configuration. A growing family system often collapses without a minimum number of adult caregivers per infant, approximately four per infant (3.87), which allows for proper healing and caretaking. In cases with no additional family or community beyond one or two parents, the layers of abandonment and trauma result in the deterioration of a couple’s relationship and ultimately the family structure. The solution includes engaging community in support of new families. The study identified (and recommends) specific resources to assist couples in recognizing and healing trauma and disconnection at multiple levels. Recommendations include wider awareness and availability of resources for healing childhood wounds and greater community-building efforts to support couples for the whole family to thrive.

Keywords: abandonment, attachment, community building, family and marital functioning, healing childhood wounds, infant wellness, intimacy, marital satisfaction, relationship quality, relationship satisfaction

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3068 Strength Parameters and the Rate Process Theory Applied to Compacted Fadama Soils

Authors: Samuel Akinlabi Ola, Emeka Segun Nnochiri, Stephen Kayode Aderomose, Paul Ayesemhe Edoh

Abstract:

Fadama soils of Northern Nigeria are generally a problem soil for highway and geotechnical engineers. There has been no consistent conclusion on the effect of the strain rate on the shear strength of soils, thus necessitating the need to clarify this issue with various types of soil. Consolidated undrained tests with pore pressure measurements were conducted at optimum moisture content and maximum dry density using standard proctor compaction. Back pressures were applied to saturate the soil. The shear strength parameters were determined. Analyzing the results and model studies using the Rate Process Theory, functional relationships between the deviator stress and strain rate were determined and expressed mathematically as deviator stress = β0+ β1 log(strain rate) at each cell pressure where β0 and β1 are constants. Also, functional relationships between the pore pressure coefficient Āf and the time to failure were determined and expressed mathematically as pore pressure coefficient, Āf = ψ0+ѱ1log (time to failure) where ψ0 and ѱ1 are constants. For cell pressure between 69 – 310 kN/m2 (10 - 45psi) the constants found for Fadama soil in this study are ψ0=0.17 and ѱ1=0.18. The study also shows the dependence of the angle of friction (ø’) on the rate of strain as it increases from 22o to 25o for an increase in the rate of strain from 0.08%/min to 1.0%/min. Conclusively, the study also shows that within the strain rate utilized in the research, the deviator strength increased with the strain rate while the excess pore water pressure decreased with an increase in the rate of strain.

Keywords: deviator stress, Fadama soils, pore pressure coefficient, rate process

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3067 Synthesis of (S)-Naproxen Based Amide Bond Forming Chiral Reagent and Application for Liquid Chromatographic Resolution of (RS)-Salbutamol

Authors: Poonam Malik, Ravi Bhushan

Abstract:

This work describes a very efficient approach for synthesis of activated ester of (S)-naproxen which was characterized by UV, IR, ¹HNMR, elemental analysis and polarimetric studies. It was used as a C-N bond forming chiral derivatizing reagent for further synthesis of diastereomeric amides of (RS)-salbutamol (a β₂ agonist that belongs to the group β-adrenolytic and is marketed as racamate) under microwave irradiation. The diastereomeric pair was separated by achiral phase HPLC, using mobile phase in gradient mode containing methanol and aqueous triethylaminephosphate (TEAP); separation conditions were optimized with respect to pH, flow rate, and buffer concentration and the method of separation was validated as per International Council for Harmonisation (ICH) guidelines. The reagent proved to be very effective for on-line sensitive detection of the diastereomers with very low limit of detection (LOD) values of 0.69 and 0.57 ng mL⁻¹ for diastereomeric derivatives of (S)- and (R)-salbutamol, respectively. The retention times were greatly reduced (2.7 min) with less consumption of organic solvents and large (α) as compared to literature reports. Besides, the diastereomeric derivatives were separated and isolated by preparative HPLC; these were characterized and were used as standard reference samples for recording ¹HNMR and IR spectra for determining absolute configuration and elution order; it ensured the success of diastereomeric synthesis and established the reliability of enantioseparation and eliminated the requirement of pure enantiomer of the analyte which is generally not available. The newly developed reagent can suitably be applied to several other amino group containing compounds either from organic syntheses or pharmaceutical industries because the presence of (S)-Npx as a strong chromophore would allow sensitive detection.This work is significant not only in the area of enantioseparation and determination of absolute configuration of diastereomeric derivatives but also in the area of developing new chiral derivatizing reagents (CDRs).

Keywords: chiral derivatizing reagent, naproxen, salbutamol, synthesis

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3066 Effect of Pozzolanic Additives on the Strength Development of High Performance Concrete

Authors: Laura Dembovska, Diana Bajare, Ina Pundiene, Daira Erdmane

Abstract:

The aim of this research is to estimate effect of pozzolanic substitutes and their combination on the hydration heat and final strength of high performance concrete. Ternary cementitious systems with different ratios of ordinary Portland cement, silica fume and calcined clay were investigated. Local illite clay was calcined at temperature 700oC in rotary furnace for 20 min. It has been well recognized that the use of pozzolanic materials such as silica fume or calcined clay are recommended for high performance concrete for reduction of porosity, increasing density and as a consequence raising the chemical durability of the concrete. It has been found, that silica fume has a superior influence on the strength development of concrete, but calcined clay increase density and decrease size of dominating pores. Additionally it was found that the rates of pozzolanic reaction and calcium hydroxide consumption in the silica fume-blended cement pastes are higher than in the illite clay-blended cement pastes, it strongly depends from the amount of pozzolanic substitutes which are used. If the pozzolanic reaction is dominating then amount of Ca(OH)2 is decreasing. The identity and the amount of the phases present were determined from the thermal analysis (DTA) data. The hydration temperature of blended cement pastes was measured during the first 24 hours. Fresh and hardened concrete properties were tested. Compressive strength was determined and differential thermal analysis (DTA) was conducted of specimens at the age of 3, 14, 28 and 56 days.

Keywords: high performance concrete, pozzolanic additives, silica fume, ternary systems

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3065 Legal Contestation of Non-Legal Norms: The Case of Humanitarian Intervention Norm between 1999 and 2018

Authors: Nazli Ustunes Demirhan

Abstract:

Norms of any nature are subject to pressures of change throughout their lifespans, as they are interpreted and re-interpreted every time they are used rhetorically or practically by international actors. The inevitable contestation of different interpretations may lead to an erosion of the norm, as well as to its strengthening. This paper aims to question the role of formal legality on the change of norm strength, using a norm contestation framework and a multidimensional norm strength conceptualization. It argues that the role of legality is not necessarily linked to the formal legal characteristics of a norm, but is about the legality of the contestation processes. In order to demonstrate this argument, the paper examines the evolutionary path of the humanitarian intervention norm as a case study. Humanitarian intervention, as a norm of very low formal legal characteristics, has been subject to numerous cycles of contestation, demonstrating a fluctuating pattern of norm strength. With the purpose of examining the existence and role of legality in the selected contestation periods from 1999 to 2017, this paper uses process tracing method with a detailed document analysis on the Security Council documents; including decisions, resolutions, meeting minutes, press releases as well as individual country statements. Through the empirical analysis, it is demonstrated that the legality of the contestation processes has a positive effect at least on the authoritativeness dimension of norm strength. This study tries to contribute to the developing dialogue between international relations (IR) and internal law (IL) disciplines with its better-tuned understanding of legality. It connects to further questions in IR/IL nexus, relating to the value added of norm legality, and politics of legalization as well as better international policies for norm reinforcement.

Keywords: humanitarian intervention, legality, norm contestation, norm dynamics, responsibility to protect

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3064 The Relationship between Lithological and Geomechanical Properties of Carbonate Rocks. Case study: Arab-D Reservoir Outcrop Carbonate, Central Saudi Arabia

Authors: Ammar Juma Abdlmutalib, Osman Abdullatif

Abstract:

Upper Jurrasic Arab-D Reservoir is considered as the largest oil reservoir in Saudi Arabia. The equivalent outcrop is exposed near Riyadh. The study investigates the relationships between lithofacies properties changes and geomechanical properties of Arab-D Reservoir in the outcrop scale. The methods used included integrated field observations and laboratory measurements. Schmidt Hammer Rebound Hardness, Point Load Index tests were carried out to estimate the strength of the samples, ultrasonic wave velocity test also was applied to measure P-wave, S-wave, and dynamic Poisson's ratio. Thin sections have been analyzed and described. The results show that there is a variation in geomechanical properties between the Arab-D member and Upper Jubaila Formation at outcrop scale, the change in texture or grain size has no or little effect on these properties. This is because of the clear effect of diagenesis which changes the strength of the samples. The result also shows the negative or inverse correlation between porosity and geomechanical properties. As for the strength, dolomitic mudstone and wackestone within Upper Jubaila Formation has higher Schmidt hammer values, wavy rippled sandy grainstone which is rich in quarts has the greater point load index values. While laminated mudstone and breccias, facies has lower strength. This emphasizes the role of mineral content in the geomechanical properties of Arab-D reservoir lithofacies.

Keywords: geomechanical properties, Arab-D reservoir, lithofacies changes, Poisson's ratio, diageneis

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3063 The Lasting Impact of Parental Conflict on Self-Differentiation of Young Adult OffspringThe Lasting Impact of Parental Conflict on Self-Differentiation of Young Adult Offspring

Authors: A. Benedetto, P. Wong, N. Papouchis, L. W. Samstag

Abstract:

Bowen’s concept of self-differentiation describes a healthy balance of autonomy and intimacy in close relationships, and it has been widely researched in the context of family dynamics. The current study aimed to clarify the impact of family dysfunction on self-differentiation by specifically examining conflict between parents, and by including young adults, an underexamined age group in this domain (N = 300; ages 18 to 30). It also identified a protective factor for offspring from conflictual homes. The 300 young adults (recruited online through Mechanical Turk) completed the Differentiation of Self Inventory (DSI), the Children’s Perception of Interparental Conflict Scale (CPIC), the Parental Bonding Instrument (PBI), and the Symptom Checklist-90-Revised (SCL-90-R). Analyses revealed that interparental conflict significantly impairs self-differentiation among young adult offspring. Specifically, exposure to parental conflict showed a negative impact on young adults’ sense of self, emotional reactivity, and interpersonal cutoff in the context of close relationships. Parental conflict was also related to increased psychological distress among offspring. Surprisingly, the study found that parental divorce does not impair self-differentiation in offspring, demonstrating the distinctly harmful impact of conflict. These results clarify a unique type of family dysfunction that impairs self-differentiation, specifically in distinguishing it from parental divorce; it examines young adults, a critical age group not previously examined in this domain; and it identifies a moderating protective factor (a strong parent-child bond) for offspring exposed to conflict. Overall, results suggest the need for modifications in parental behavior in order to protect offspring at risk of lasting emotional and interpersonal damage.

Keywords: divorce, family dysfunction, parental conflict, parent-child bond, relationships, self-differentiation, young adults

Procedia PDF Downloads 154
3062 Performance of Autoclaved Aerated Concrete Containing Recycled Ceramic and Gypsum Waste as Partial Replacement for Sand

Authors: Efil Yusrianto, Noraini Marsi, Noraniah Kassim, Izzati Abdul Manaf, Hafizuddin Hakim Shariff

Abstract:

Today, municipal solid waste (MSW), noise pollution, and attack fire are three ongoing issues for inhabitants of urban including in Malaysia. To solve these issues, eco-friendly autoclaved aerated concrete (AAC) containing recycled ceramic and gypsum waste (CGW) as a partial replacement for sand with different ratios (0%, 5%, 10%, 15%, 20%, and 25% wt) has been prepared. The performance of samples, such as the physical, mechanical, sound absorption coefficient, and direct fire resistance, has been investigated. All samples showed normal color behavior, i.e., grey and free crack. The compressive strength was increased in the range of 6.10% to 29.88%. The maximum value of compressive strength was 2.13MPa for 15% wt of CGW. The positive effect of CGW on the compressive strength of AAC has also been confirmed by crystalline phase and microstructure analysis. The acoustic performances, such as sound absorption coefficients of samples at low frequencies (500Hz), are higher than the reference sample (RS). AAC-CGW samples are categorized as AAC material classes B and C. The fire resistance results showed the physical surface of the samples had a free crack and was not burned during the direct fire at 950ºC for 300s. The results showed that CGW succeeded in enhancing the performance of fresh AAC, such as compressive strength, crystalline phase, sound absorption coefficient, and fire resistance of samples.

Keywords: physical, mechanical, acoustic, direct fire resistance performance, autoclaved aerated concrete, recycled ceramic-gypsum waste

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3061 Comparative Study of Impact Strength and Fracture Morphological of Nano-CaCO3 and Nanoclay Reinforced HDPE Nanocomposites

Authors: Harun Sepet, Necmettin Tarakcioglu

Abstract:

The present study investigated the impact strength and fracture mechanism of nano-CaCO3 and nanoclay reinforced HDPE nanocomposites by using Charpy impact test. The nano-CaCO3 and nanoclay reinforced HDPE granules were prepared by the melt blending method using a compounder system, which consists of industrial banbury mixer, single screw extruder and granule cutting in industrial-scale. The nano-CaCO3 and nanoclay reinforced HDPE granules were molded using an injection-molding machine as plates, and then impact samples were cut by using punching die from the nanocomposite plates. As a result of impact experiments, nano-CaCO3 and nanoclay reinforced HDPE nanocomposites were determined to have lower impact energy level than neat HDPE. Also, the impact strength of HDPE further decreased by addition nanoclay compared to nano-CaCO3. The occurred fracture areas with the impact were detected by SEM examination. It is understood that fracture surface morphology changes when nano-CaCO3 and nanoclay ratio increases. The fracture surface changes were examined to determine the fracture mechanism of nano-CaCO3 and nanoclay reinforced HDPE nanocomposites.

Keywords: charpy, HDPE, industrial scale nano-CaCO3, nanoclay, nanocomposite

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3060 A Study on the Effect of Mg and Ag Additions and Age Hardening Treatment on the Properties of As-Cast Al-Cu-Mg-Ag Alloys

Authors: Ahmed. S. Alasmari, M. S. Soliman, Magdy M. El-Rayes

Abstract:

This study focuses on the effect of the addition of magnesium (Mg) and silver (Ag) on the mechanical properties of aluminum based alloys. The alloying elements will be added at different levels using the factorial design of experiments of 22; the two factors are Mg and Ag at two levels of concentration. The superior mechanical properties of the produced Al-Cu-Mg-Ag alloys after aging will be resulted from a unique type of precipitation named as Ω-phase. The formed precipitate enhanced the tensile strength and thermal stability. This paper further investigated the microstructure and mechanical properties of as cast Al–Cu–Mg–Ag alloys after being complete homogenized treatment at 520 °C for 8 hours followed by isothermally age hardening process at 190 °C for different periods of time. The homogenization at 520 °C for 8 hours was selected based on homogenization study at various temperatures and times. The alloys’ microstructures were studied by using optical microscopy (OM). In addition to that, the fracture surface investigation was performed using a scanning electronic microscope (SEM). Studying the microstructure of aged Al-Cu-Mg-Ag alloys reveal that the grains are equiaxed with an average grain size of about 50 µm. A detailed fractography study for fractured surface of the aged alloys exhibited a mixed fracture whereby the random fracture suggested crack propagation along the grain boundaries while the dimples indicated that the fracture was ductile. The present result has shown that alloy 5 has the highest hardness values and the best mechanical behaviors.

Keywords: precipitation hardening, aluminum alloys, aging, design of experiments, analysis of variance, heat treatments

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3059 Waste-Based Surface Modification to Enhance Corrosion Resistance of Aluminium Bronze Alloy

Authors: Wilson Handoko, Farshid Pahlevani, Isha Singla, Himanish Kumar, Veena Sahajwalla

Abstract:

Aluminium bronze alloys are well known for their superior abrasion, tensile strength and non-magnetic properties, due to the co-presence of iron (Fe) and aluminium (Al) as alloying elements and have been commonly used in many industrial applications. However, continuous exposure to the marine environment will accelerate the risk of a tendency to Al bronze alloys parts failures. Although a higher level of corrosion resistance properties can be achieved by modifying its elemental composition, it will come at a price through the complex manufacturing process and increases the risk of reducing the ductility of Al bronze alloy. In this research, the use of ironmaking slag and waste plastic as the input source for surface modification of Al bronze alloy was implemented. Microstructural analysis conducted using polarised light microscopy and scanning electron microscopy (SEM) that is equipped with energy dispersive spectroscopy (EDS). An electrochemical corrosion test was carried out through Tafel polarisation method and calculation of protection efficiency against the base-material was determined. Results have indicated that uniform modified surface which is as the result of selective diffusion process, has enhanced corrosion resistance properties up to 12.67%. This approach has opened a new opportunity to access various industrial utilisations in commercial scale through minimising the dependency on natural resources by transforming waste sources into the protective coating in environmentally friendly and cost-effective ways.

Keywords: aluminium bronze, waste-based surface modification, tafel polarisation, corrosion resistance

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3058 Effect of Bentonite on Shear Strength of Bushehr Calcareous Sand

Authors: Arash Poordana, Reza Ziaie Moayed

Abstract:

Calcareous sands are found most commonly in areas adjacent to crude oil and gas, and particularly around water. These types of soil have high compressibility due to high inter-granular porosity, irregularity, fragility, and especially crushing. Also, based on experience, it has been shown that the behavior of these types of soil is not similar to silica sand in loading. Since the destructive effects of cement on the environment are obvious, other alternatives such as bentonite are popular to be used. Bentonite has always been used commercially in civil engineering projects and according to its low hydraulic conductivity, it is used for landfills, cut-off walls, and nuclear wastelands. In the present study, unconfined compression tests in five ageing periods (1, 3, 7, 14, and 28 days) after mixing different percentages of bentonite (5%, 7.5% and 10%) with Bushehr calcareous sand were performed. The relative density considered for the specimens is 50%. Optimum water content was then added to each specimen accordingly (19%, 18.5%, and 17.5%). The sample preparation method was wet tamping and the specimens were compacted in five layers. It can be concluded from the results that as the bentonite content increases, the unconfined compression strength of the soil increases. Based on the obtained results, 3-day and 7-day ageing periods showed 30% and 50% increase in the shear strength of soil, respectively.

Keywords: unconfined compression test, bentonite, Bushehr, calcareous sand

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3057 Determination of the Pull-Out/ Holding Strength at the Taper-Trunnion Junction of Hip Implants

Authors: Obinna K. Ihesiulor, Krishna Shankar, Paul Smith, Alan Fien

Abstract:

Excessive fretting wear at the taper-trunnion junction (trunnionosis) apparently contributes to the high failure rates of hip implants. Implant wear and corrosion lead to the release of metal particulate debris and subsequent release of metal ions at the taper-trunnion surface. This results in a type of metal poisoning referred to as metallosis. The consequences of metal poisoning include; osteolysis (bone loss), osteoarthritis (pain), aseptic loosening of the prosthesis and revision surgery. Follow up after revision surgery, metal debris particles are commonly found in numerous locations. Background: A stable connection between the femoral ball head (taper) and stem (trunnion) is necessary to prevent relative motions and corrosion at the taper junction. Hence, the importance of component assembly cannot be over-emphasized. Therefore, the aim of this study is to determine the influence of head-stem junction assembly by press fitting and the subsequent disengagement/disassembly on the connection strength between the taper ball head and stem. Methods: CoCr femoral heads were assembled with High stainless hydrogen steel stem (trunnion) by Push-in i.e. press fit; and disengaged by Pull-out test. The strength and stability of the two connections were evaluated by measuring the head pull-out forces according to ISO 7206-10 standards. Findings: The head-stem junction strength linearly increases with assembly forces.

Keywords: wear, modular hip prosthesis, taper head-stem, force assembly and disassembly

Procedia PDF Downloads 397
3056 Seismic Performance of Two-Storey RC Frame Designed EC8 under In-Plane Cyclic Loading

Authors: N. H. Hamid, A. Azmi, M. I. Adiyanto

Abstract:

This main purpose of this paper is to evaluate the seismic performance of double bay two-storey reinforced concrete frame under in-plane lateral cyclic loading which designed using Eurocode 8 (EC8) by taking into account of seismic loading. The prototype model of reinforced concrete frame was constructed in one-half scale tested under in-plane lateral cyclic loading starts with ±0.2% drift, ±0.25% up to ±3.0% drift with the increment of ±0.25%. The performance of the RC frame is evaluated in terms of the hysteresis loop (load vs. displacement), stiffness, ductility, lateral strength, stress-strain relationship and equivalent viscous damping. Visual observation of the crack pattern after testing were observed where the beam- column joint suffer the most severe damage as it is the critical part in moment resisting frame. Spalling of concrete starts occurred at ±2.0% drift and become worse at ±2.5% drift. The experimental result shows that the maximum lateral strength of specimen is 99.98 kN and ductility of the specimen is µ=4.07 which lies between 3≤µ≤6 in order to withstand moderate to severe earthquakes.

Keywords: ductility, equivalent viscous damping, hysteresis loops, lateral strength, stiffness

Procedia PDF Downloads 356
3055 Effect of Plasma Discharge Power on Activation Energies of Plasma Poly(Ethylene Oxide) Thin Films

Authors: Sahin Yakut, H. Kemal Ulutas, Deniz Deger

Abstract:

Plasma Assisted Physical Vapor Deposition (PAPVD) method used to produce Poly(ethylene oxide) (pPEO) thin films. Depositions were progressed at various plasma discharge powers as 0, 2, 5 and 30 W for pPEO at 500nm film thicknesses. The capacitance and dielectric dissipation of the thin films were measured at 0,1-107 Hz frequency range and 173-353 K temperature range by an impedance analyzer. Then, alternative conductivity (σac) and activation energies were derived from capacitance and dielectric dissipation. σac of conventional PEO (PEO precursor) was measured to determine the effect of plasma discharge. Differences were observed between the alternative conductivity of PEO’s and pPEO’s depending on plasma discharge power. By this purpose, structural characterization techniques such as Differential Scanning Calorimetry (DSC) and Fourier Transform Infrared Spectroscopy (FT-IR) were applied on pPEO thin films. Structural analysis showed that density of crosslinking is plasma power dependent. The crosslinking density increases with increasing plasma discharge power and this increase is displayed as increasing dynamic glass transition temperatures at DSC results. Also, shifting of frequencies of some type of bond vibrations, belonging to bond vibrations produced after fragmentation because of plasma discharge, were observed at FTIR results. The dynamic glass transition temperatures obtained from alternative conductivity results for pPEO consistent with the results of DSC. Activation energies exhibit Arrhenius behavior. Activation energies decrease with increasing plasma discharge power. This behavior supports the suggestion expressing that long polymer chains and long oligomers are fragmented into smaller oligomers or radicals.

Keywords: activation energy, dielectric spectroscopy, organic thin films, plasma polymer

Procedia PDF Downloads 299
3054 Structural Property and Mechanical Behavior of Polypropylene–Elemental Sulfur (S8) Composites: Effect of Sulfur Loading

Authors: S. Vijay Kumar, Kishore K. Jena, Saeed M. Alhassan

Abstract:

Elemental sulfur is currently produced on the level of 70 million tons annually by petroleum refining, majority of which is used in the production of sulfuric acid, fertilizer and other chemicals. Still, over 6 million tons of elemental sulfur is generated in excess, which creates exciting opportunities to develop new chemistry to utilize sulfur as a feedstock for polymers. Development of new polymer composite materials using sulfur is not widely explored and remains an important challenge in the field. Polymer nanocomposites prepared by carbon nanotube, graphene, silica and other nanomaterials were well established. However, utilization of sulfur as filler in the polymer matrix could be an interesting study. This work is to presents the possibility of utilizing elemental sulfur as reinforcing fillers in the polymer matrix. In this study we attempted to prepare polypropylene/sulfur nanocomposite. The physical, mechanical and morphological properties of the newly developed composites were studied according to the sulfur loading. In the sample preparation, four levels of elemental sulfur loading (5, 10, 20 and 30 wt. %) were designed. Composites were prepared by the melt mixing process by using laboratory scale mini twin screw extruder at 180°C for 15 min. The reaction time and temperature were maintained constant for all prepared composites. The structure and crystallization behavior of composites was investigated by Raman, FTIR, XRD and DSC analysis. It was observed that sulfur interfere with the crystalline arrangement of polypropylene and depresses the crystallization, which affects the melting point, mechanical and thermal stability. In the tensile test, one level of test temperature (room temperature) and crosshead speed (10 mm/min) was designed. Tensile strengths and tensile modulus of the composites were slightly decreased with increasing in filler loading, however, percentage of elongation improved by more than 350% compared to neat polypropylene. The effect of sulfur on the morphology of polypropylene was studied with TEM and SEM techniques. Microscope analysis revels that sulfur is homogeneously dispersed in polymer matrix and behaves as single phase arrangement in the polymer. The maximum elongation for the polypropylene can be achieved by adjusting the sulfur loading in the polymer. This study reviles the possibility of using elemental sulfur as a solid plasticizer in the polypropylene matrix.

Keywords: crystallization, elemental sulfur, morphology, thermo-mechanical properties, polypropylene, polymer nanocomposites

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3053 Mechanical and Durability Characteristics of Roller Compacted Geopolymer Concrete Using Recycled Concrete Aggregate

Authors: Syfur Rahman, Mohammad J. Khattak

Abstract:

Every year a huge quantity of recycling concrete aggregate (RCA) is generated in the United States of America. Utilization of RCA can solve the storage problem, prevent environmental pollution, and reduce the construction cost. However, due to the overall low strength and durability characteristics of RCA, its usages are limited to a certain area like a landfill, low strength base material, replacement of a few percentages of virgin aggregates in Portland cement concrete, etc. This study focuses on the improvement of the strength and durability characteristics of RCA by introducing the concept of roller-compacted geopolymer concrete. In this research, developed roller-compacted geopolymer concrete (RCGPC) and roller-compacted cement concrete (RCC) mixtures containing 100% recycled concrete aggregate were evaluated and compared. Several selected RCGPC mixtures were investigated to find out the effect of mixture variables, including sodium hydroxide (NaOH) molar concentration, sodium silicate (Na₂SiO₃), to sodium hydroxide (NaOH) ratio on the strength, stiffness and durability characteristics of the developed RCGPC. Sodium hydroxide (NaOH) and sodium silicate (Na₂SiO₃) were mixed in different ratios to synthesize the alkali activator. American Concrete Pavement Association (ACPA) recommended RCC gradation was used with a maximum nominal aggregate size of 19 mm with a 4% fine particle passing 0.075 mm sieve. The mixtures were made using NaOH molar concentration of 8M and 10M along with, Na₂SiO₃ to NaOH ratio of 0 and 1 by mass and 15% class F fly ash. Optimum alkali content and moisture content were determined for each RCGPC and RCC mixtures, respectively, using modified proctor test. Compressive strength, semi-circular bending beam strength, and dynamic modulus test were conducted to evaluate the mechanistic characteristics of both mixtures. To determine the optimum curing conditions for RCGPC, effects of different curing temperature and curing duration on compressive strength were also studied. Sulphate attack and freeze-thaw tests were also carried out to assess the durability properties of the developed mixtures. X-ray diffraction (XRD) was used for morphology and microstructure analysis. From the optimum moisture content results, it was found that RCGPC has high alkali content, which was mainly due to the high absorption capacity of RCA. It was found that the mixtures with Na₂SiO₃ to NaOH ratio of 1 yielded about 60% higher compressive strength than the ratio of 0. Further, the mixtures using 10M NaOH concentrations and alkali ratio of 1 produced about 28 MPa of compressive strength, which was around 33% higher than 8M NaOH mixtures. Similar results were obtained for elastic and dynamic modulus of the mixtures. On the other hand, the semi-circular bending beam strength remained the same for both 8 and 10 molar NaOH geopolymer mixtures. Formation of new geopolymeric compounds and chemical bonds in the newly formed novel RCGPC mixtures were also discovered using XRD analysis. The results of mechanical and durability testing further revealed that RCGPC performed similarly to that of RCC mixtures. Based on the results of mechanical and durability testing, the developed RCGPC mixtures using 100% recycled concrete could be used as a cost-effective solution for the construction of pavement structures.

Keywords: roller compacted concrete, geopolymer concrete, recycled concrete aggregate, concrete pavement, fly ash

Procedia PDF Downloads 135
3052 Rate of Force Development, Net Impulse and Modified Reactive Strength as Predictors of Volleyball Spike Jump Height among Young Elite Players

Authors: Javad Sarvestan, Zdenek Svoboda

Abstract:

Force-time (F-T) curvature characteristics are globally referenced as the main indicators of athletic jump performance. Nevertheless, to the best of authors’ knowledge, no investigation tried to deeply study the relationship between F-T curve variables and real-game jump performance among elite volleyball players. To this end, this study was designated to investigate the association between F-T curve variables, including movement timings, force, velocity, power, rate of force development (RFD), modified reactive strength index (RSImod), and net impulse with spike jump height during real-game circumstances. Twelve young elite volleyball players performed 3 countermovement jump (CMJ) and 3 spike jump in real-game circumstances with 1-minute rest intervals to prevent fatigue. Shapiro-Wilk statistical test illustrated the normality of data distribution, and Pearson’s product correlation test portrayed a significant correlation between CMJ height and peak RFD (0.85), average RFD (r=0.81), RSImod (r=0.88) and concentric net impulse (r=0.98), and also significant correlation between spike jump height and peak RFD (0.73), average RFD (r=0.80), RSImod (r=0.62) and concentric net impulse (r=0.71). Multiple regression analysis also reported that these factors have a strong contribution in predicting of CMJ (98%) and spike jump (77%) heights. Outcomes of this study confirm that the RFD, concentric net impulse, and RSImod values could precisely monitor and track the volleyball attackers’ explosive strength, muscular stretch-shortening cycle function efficiency, and ultimate spike jump height. To this effect, volleyball coaches and trainers are advised to have an in-depth focus on their athletes’ progression or the impacts of strength trainings by observing and chasing the F-T curve variables such as RFD, net impulse, and RSImod.

Keywords: net impulse, reactive strength index, rate of force development, stretch-shortening cycle

Procedia PDF Downloads 134
3051 Effect of Lime and Leaf Ash on Engineering Properties of Red Mud

Authors: Pawandeep Kaur, Prashant Garg

Abstract:

Red mud is a byproduct of aluminum extraction from Bauxite industry. It is dumped in a pond which not only uses thousands of acres of land but having very high pH, it pollutes the ground water and the soil also. Leaves are yet another big waste especially during autumn when they contribute immensely to the blockage of drains and can easily catch fire, among other risks hence also needs to be utilized effectively. The use of leaf ash and red mud in highway construction as a filling material may be an efficient way to dispose of leaf ash and red mud. In this study, leaf ash and lime were used as admixtures to improve the geotechnical engineering properties of red mud. The red mud was taken from National Aluminum Company Limited, Odisha, and leaf ash was locally collected. The aim of present study is to investigate the effect of lime and leaf ash on compaction characteristics and strength characteristics of red mud. California Bearing Ratio and Unconfined Compression Strength tests were performed on red mud by varying different percentages of lime and leaf ash. Leaf ash was added in proportion 2%,4%,6%,8% and 10% whereas lime was added in proportions of 5% to 15%. Optimized value of lime was decided with respect to maximum CBR (California Bearing Ratio) of red mud mixed with different proportions of lime. An increase of 300% in California Bearing ratio of red mud and an increase of 125% in Unconfined Compression Strength values were observed. It may, therefore, be concluded that red mud may be effectively utilized in the highway industry as a filler material.

Keywords: stabilization, lime, red mud, leaf ash

Procedia PDF Downloads 240
3050 Corrosion and Tribocorrosion Behaviour of Potential Coatings Applied in High-Strength Low-Alloy Steel for Offshore Applications

Authors: Ainara Lopez-Ortega, Raquel Bayon, Elena Rodriguez, Amaya Igartua

Abstract:

The materials used in offshore structural applications are continuously subjected to aggressive environmental conditions that accelerate their degradation, thus shortening their useful life. Wear, corrosion and the effect of marine microorganisms are the main processes taking place in marine environments, and whenever they occur simultaneously the durability of materials is strongly reduced. In the present work, the tribocorrosion behaviour of a High-Strength Low-Alloy (HSLA) steel and three coatings commonly used for protecting offshore components has been studied by means of unidirectional tribological tests in synthetic seawater. The coatings were found to enhance the tribological response of the uncoated steel and provide the system with improved corrosion resistance, in terms of smaller material losses and reduction of friction coefficients. The tests were repeated after ageing the materials in a salt-fog cabinet, and the aging process was found to slightly affect the performance of two of the coatings, in terms of higher material losses, meanwhile the third coating was not affected.

Keywords: coatings, corrosion, high-strength low-alloy steel, seawater, tribocorrosion

Procedia PDF Downloads 418
3049 Thermal and Mechanical Properties of Polycaprolactone-Soy Lecithin Modified Bentonite Nanocomposites

Authors: Danila Merino, Leandro N. Ludueña, Vera A. Alvarez

Abstract:

Clays are commonly used to reinforce polymeric materials. In order to modify them, long-chain quaternary-alkylammonium salts have been widely employed. However, the application of these clays in biological fields is limited by the toxicity and poor biocompatibility presented by these modifiers. Meanwhile, soy lecithin, acts as a natural biosurfactant and environment-friendly biomodifier. In this report, we analyse the effect of content of soy lecithin-modified bentonite on the properties of polycaprolactone (PCL) nanocomposites. Commercial grade PCL (CAPA FB 100) was supplied by Perstorp, with Mw = 100000 g/mol. Minarmco S.A. and Melar S.A supplied bentonite and soy lecithin, respectively. Clays with 18, 30 and 45 wt% of organic content were prepared by exchanging 4 g of Na-Bent with 1, 2 and 4 g of soy lecithin aqueous and acid solution (pH=1, with HCl) at 75ºC for 2 h. Then, they were washed and lyophilized for 72 h. Samples were labeled A, B and C. Nanocomposites with 1 and 2 wt.% of each clay were prepared by melt-intercalation followed by compression-moulding. An intensive Brabender type mixer with two counter-rotating roller rotors was used. Mixing temperature was 100 ºC; speed of rotation was 100 rpm. and mixing time was 10 min. Compression moulding was carried out in a hydraulic press under 75 Kg/mm2 for 10 minutes at 100 ºC. The thickness of the samples was about 1 mm. Thermal and mechanical properties were analysed. PCL nanocomposites with 1 and 2% of B presented the best mechanical properties. It was observed that an excessive organic content produced an increment on the rigidity of PCL, but caused a detrimental effect on the tensile strength and elongation at break of the nanocomposites. Thermogravimetrical analyses suggest that all reinforced samples have higher resistance to degradation than neat PCL.

Keywords: chemical modification, clay, nanocomposite, characterization

Procedia PDF Downloads 199
3048 The Effect of Rowing Exercise on Elderly Health

Authors: Rachnavy Pornthep, Khaothin Thawichai

Abstract:

The purpose of this paper was to investigate the effects of rowing ergometer exercise on older persons health. The subjects were divided into two groups. Group 1 was control group (10 male and 10 female) Group 2 was experimental group (10 male and 10 female). The time for study was 12 week. Group 1 engage in normal daily activities Group 2 Training with rowing machine for 20 minutes three days a week. The average age of the experimental group was 73.7 years old, mean weight 55.4 kg, height 154.8 cm in the control group, mean age was 74.95 years, mean weight 48.6 kg, mean height 153.85 cm. Physical fitness test composted of body size, flexibility, Strength, muscle endurance and cardiovascular endurance. The comparison between the experimental and control groups before training showed that body weight, body mass index and waist to hip ratio were significantly different. The flexibility, strength, cardiovascular endurance was not significantly different. The comparison between the control group and the experimental group after training showed that body weight, body mass index and cardiovascular endurance were significantly different. The ratio of waist to hips, flexibility and muscular strength were not significantly different. Comparison of physical fitness before training and after training of the control group showed that body weight, flexibility (Sit and reach) and muscular strength (30 – Second chair stand) were significantly different. Body mass index, waist to hip ratio, muscles flexible (Shoulder girdle flexibility), muscle strength (30 – Second arm curl) and the cardiovascular endurance were not significantly difference. Comparison of physical fitness before training and after training the experimental group showed that waist to hip ratio, flexibility (sit and reach) muscle strength (30 – Second chair stand), cardiovascular endurance (Standing leg raises - up to 2 minutes) were significantly different. The Body mass index and the flexibility (Shoulder girdle flexibility) no significantly difference. The study found that exercising with rowing machine can improve the physical fitness of the elderly, especially the cardiovascular endurance, corresponding with the past research on the effects of exercise in the elderly with different exercise such as cycling, treadmill, walking on the elliptical machine. Therefore, we can conclude that exercise by using rowing machine can improve cardiovascular system and flexibility in the elderly.

Keywords: effect, rowing, exercise, elderly

Procedia PDF Downloads 494
3047 In Silico Modeling of Drugs Milk/Plasma Ratio in Human Breast Milk Using Structures Descriptors

Authors: Navid Kaboudi, Ali Shayanfar

Abstract:

Introduction: Feeding infants with safe milk from the beginning of their life is an important issue. Drugs which are used by mothers can affect the composition of milk in a way that is not only unsuitable, but also toxic for infants. Consuming permeable drugs during that sensitive period by mother could lead to serious side effects to the infant. Due to the ethical restrictions of drug testing on humans, especially women, during their lactation period, computational approaches based on structural parameters could be useful. The aim of this study is to develop mechanistic models to predict the M/P ratio of drugs during breastfeeding period based on their structural descriptors. Methods: Two hundred and nine different chemicals with their M/P ratio were used in this study. All drugs were categorized into two groups based on their M/P value as Malone classification: 1: Drugs with M/P>1, which are considered as high risk 2: Drugs with M/P>1, which are considered as low risk Thirty eight chemical descriptors were calculated by ACD/labs 6.00 and Data warrior software in order to assess the penetration during breastfeeding period. Later on, four specific models based on the number of hydrogen bond acceptors, polar surface area, total surface area, and number of acidic oxygen were established for the prediction. The mentioned descriptors can predict the penetration with an acceptable accuracy. For the remaining compounds (N= 147, 158, 160, and 174 for models 1 to 4, respectively) of each model binary regression with SPSS 21 was done in order to give us a model to predict the penetration ratio of compounds. Only structural descriptors with p-value<0.1 remained in the final model. Results and discussion: Four different models based on the number of hydrogen bond acceptors, polar surface area, and total surface area were obtained in order to predict the penetration of drugs into human milk during breastfeeding period About 3-4% of milk consists of lipids, and the amount of lipid after parturition increases. Lipid soluble drugs diffuse alongside with fats from plasma to mammary glands. lipophilicity plays a vital role in predicting the penetration class of drugs during lactation period. It was shown in the logistic regression models that compounds with number of hydrogen bond acceptors, PSA and TSA above 5, 90 and 25 respectively, are less permeable to milk because they are less soluble in the amount of fats in milk. The pH of milk is acidic and due to that, basic compounds tend to be concentrated in milk than plasma while acidic compounds may consist lower concentrations in milk than plasma. Conclusion: In this study, we developed four regression-based models to predict the penetration class of drugs during the lactation period. The obtained models can lead to a higher speed in drug development process, saving energy, and costs. Milk/plasma ratio assessment of drugs requires multiple steps of animal testing, which has its own ethical issues. QSAR modeling could help scientist to reduce the amount of animal testing, and our models are also eligible to do that.

Keywords: logistic regression, breastfeeding, descriptors, penetration

Procedia PDF Downloads 69