Search results for: bond lengths
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 842

Search results for: bond lengths

692 Numerical Study on Pretensioned Bridge Girder Using Thermal Strain Technique

Authors: Prashant Motwani, Arghadeep Laskar

Abstract:

The transfer of prestress force from prestressing strands to the surrounding concrete is dependent on the bond between the two materials. It is essential to understand the actual bond stress distribution along the transfer length to determine the transfer zone in pre-tensioned concrete. A 3-D nonlinear finite element model has been developed to simulate the transfer of prestress force from steel to concrete in pre-tensioned bridge girders through thermal strain technique using commercially available package ABAQUS. Full-scale bridge girder has been analyzed with thermal strain approach where the damage plasticity constitutive model has been used to model concrete. Parameters such as concrete strain, effective prestress, upward camber and longitudinal stress have been compared with analytical results. The discrepancy between numerical and analytical values was within 20%. The paper also presents a convergence study on mesh density and aspect ratio of the elements to perform the finite element study.

Keywords: aspect ratio, bridge girder, centre of gravity of strand, mesh density, finite element model, pretensioned bridge girder

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691 Effect of Size, Geometry and Tensile Strength of Fibers on the Flexure of Hooked Steel Fiber Reinforced Concrete

Authors: Chuchai Sujivorakul

Abstract:

This research focused on the study of various parameters of fiber itself affecting on the flexure of hooked steel fiber reinforced concrete (HSFRC). The size of HSFRC beams was 150x150 mm in cross section and 550 mm in length, and the flexural test was carried out in accordance with EN-14651 standard. The test result was the relationship between centre-point load and crack-mount opening displacement (CMOD) at the centre notch. Controlled concrete had a compressive strength of 42 MPa. The investigated variables related to the hooked fiber itself were: (a) 3 levels of aspect ratio of fibers (65, 80 and 100); (b) 2 different fiber lengths (35 mm and 60 mm); (c) 2 different tensile strength of fibers (1100 MPa and 1500 MPa); and (d) 3 different fiber-end geometries (3D 4D and 5D fibers). The 3D hooked fibers have two plastic hinges at both ends, while the 4D and 5D hooked fibers are the newly developed steel fibers by Bekaert, and they have three and four plastic hinges at both ends, respectively. The hooked steel fibers were used in concrete with three different fiber contents, i.e., 20 30 and 40 kg/m³. From the study, it was found that all variables did not seem to affect the flexural strength at limit of proportionality (LOP) of HSFRC. However, they affected the residual flexural tensile strength (fR,j). It was observed that an increase in fiber lengths and the tensile strength the fibers would significantly increase in the fR,j of HSFRC, while the aspect ratio of the fiber would slightly effect the fR,j of HSFRC. Moreover, it was found that using 5D fibers would better enhance the fR,j and flexural behavior of HSFRC than 3D and 4D fibers, because they gave highest mechanical anchorage effect created by their hooked-end geometry.

Keywords: hooked steel fibers, fiber reinforced concrete, EN-14651, flexural test

Procedia PDF Downloads 131
690 DNA-Based Gold Nanoprobe Biosensor to Detect Pork Contaminant

Authors: Rizka Ardhiyana, Liesbetini Haditjaroko, Sri Mulijani, Reki Ashadi Wicaksono, Raafqi Ranasasmita

Abstract:

Designing a sensitive, specific and easy to use method to detect pork contamination in the food industry remains a major challenge. In the current study, we developed a sensitive thiol-bond AuNP-Probe biosensor that will change color when detecting pork DNA in the Cytochrome B region. The interaction between the biosensors and DNA sample is measured by spectrophotometer at 540 nm. The biosensor is made by reducing gold with trisodium citrate to produce gold nanoparticle with 39.05 nm diameter. The AuNP-Probe biosensor (gold nanoprobe) achieved 16.04 ng DNA/µl limit of detection and 53.48 ng DNA/µl limit of quantification. The linearity (R2) between color absorbance changes and DNA concentration is 0.9916. The biosensor has a good specificty as it does not cross-react with DNA of chicken and beef. To verify specificity towards the target sequence, PCR was tested to the target sequence and reacted to the PCR product with the biosensor. The PCR DNA isolate resulted in a 2.7 fold higher absorbance compared to pork-DNA isolate alone (without PCR). The sensitivity and specificity of the method show the promising application of the thiol-bond AuNP biosensor in pork-detection.

Keywords: biosensor, DNA probe, gold nanoparticle (AuNP), pork meat, qPCR

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689 High Temperature Oxidation Resistance of NiCrAl Bond Coat Produced by Spark Plasma Sintering as Thermal Barrier Coatings

Authors: Folorunso Omoniyi, Peter Olubambi, Rotimi Sadiku

Abstract:

Thermal barrier coating (TBC) system is used in both aero engines and other gas turbines to offer oxidation protection to superalloy substrate component. In the present work, it shows the ability of a new fabrication technique to develop rapidly new coating composition and microstructure. The compact powders were prepared by Powder Metallurgy method involving powder mixing and the bond coat was synthesized through the application of Spark Plasma Sintering (SPS) at 10500C to produce a fully dense (97%) NiCrAl bulk samples. The influence of sintering temperature on the hardness of NiCrAl, done by Micro Vickers hardness tester, was investigated. And Oxidation test was carried out at 1100oC for 20h, 40h, and 100h. The resulting coat was characterized with optical microscopy, scanning electron microscopy (SEM), energy dispersive x-ray analysis (EDAX) and x-ray diffraction (XRD). Micro XRD analysis after the oxidation test revealed the formation of protective oxides and non-protective oxides.

Keywords: high-temperature oxidation, powder metallurgy, spark plasma sintering, thermal barrier coating

Procedia PDF Downloads 478
688 Determination of Resistance to Freezing of Bonded Façade Joint

Authors: B. Nečasová, P. Liška, J. Šlanhof

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Verification of vented wooden façade system with bonded joints is presented in this paper. The potential of bonded joints is studied and described in more detail. The paper presents the results of an experimental and theoretical research about the effects of freeze cycling on the bonded joint. For the purpose of tests spruce timber profiles were chosen for the load bearing substructure. Planks from wooden plastic composite and Siberian larch are representing facade cladding. Two types of industrial polyurethane adhesives intended for structural bonding were selected. The article is focused on the preparation as well as on the subsequent curing and conditioning of test samples. All test samples were subjected to 15 cycles that represents sudden temperature changes, i.e. immersion in a water bath at (293.15 ± 3) K for 6 hours and subsequent freezing to (253.15 ± 2) K for 18 hours. Furthermore, the retention of bond strength between substructure and cladding was tested and strength in shear was determined under tensile stress. Research data indicate that little, if any, damage to the bond results from freezing cycles. Additionally, the suitability of selected group of adhesives in combination with timber substructure was confirmed.

Keywords: adhesive system, bonded joints, wooden lightweight façade, timber substructure

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687 Integrating Qualitative and Behavioural Insights to Increase the Take-Up of an Education Savings Program for Low Income Canadians

Authors: Mathieu Audet, Monica Soliman, Emilie Eve Gravel, Rebecca Friesdorf

Abstract:

Access to higher education is critical for reducing social inequalities. The Canada Learning Bond (CLB) is a government savings incentive aimed at increasing higher education access for children of low income families by providing money toward a Registered Education Savings Plan. To better understand the educational and financial decision-making of low income families, Employment Social Development Canada conducted qualitative fieldwork with eligible parents and children, teachers, and community organizations promoting the Bond. Insights from this fieldwork were then used to develop letters to better target the needs and experiences of eligible families. In the present study, we conducted a randomized controlled trial with children ages 12 to 13, the oldest cohort of eligible children, to test the effectiveness of the new letters. Parents or caregivers of 150,088 eligible children were assigned to one of five letter conditions promoting the Bond or to a control condition that did not receive a letter. The letter conditions were: (a) the standard letter from past outreach, (b) a letter presenting the exact amount the child was eligible to receive, enhancing the salience of benefits, (c) a letter with a social norm, (d) a letter with an image emphasizing the feasibility of higher education by presenting the diversity of options (i.e., college, trade schools, apprenticeships) – many participants interviewed viewed that university was unfeasible, and (e) a letter minimizing references to 'saving' (i.e., not framing the Bond explicitly as a savings incentive) – a concept that did not resonate with low income families who felt they could not afford to save. The exact amount was also presented in letters (c) through (e). The letter minimizing references to 'saving' and presenting the exact amount had the highest net take-up rate at 6.6%, compared to 3.5% for the standard letter group. Furthermore, this trial’s BI-informed letters showed the largest impact on take-up so far, with a net take-up of 5.7% compared to 3.0% and 3.9% in the first two trials. This research highlights the value of mixed-method approaches combining qualitative and behavioural insights methods for developing context-sensitive interventions for social programs. By gaining a deeper understanding of the needs and experiences of program users through qualitative fieldwork, and then integrating these insights into behaviourally informed communications, we were able to increase take-up of an education savings program, which may ultimately improve access to higher education in children of low income families.

Keywords: access to higher education, behavioral insights, government, innovation, mixed-methods, social programs

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686 Understanding the Fundamental Driver of Semiconductor Radiation Tolerance with Experiment and Theory

Authors: Julie V. Logan, Preston T. Webster, Kevin B. Woller, Christian P. Morath, Michael P. Short

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Semiconductors, as the base of critical electronic systems, are exposed to damaging radiation while operating in space, nuclear reactors, and particle accelerator environments. What innate property allows some semiconductors to sustain little damage while others accumulate defects rapidly with dose is, at present, poorly understood. This limits the extent to which radiation tolerance can be implemented as a design criterion. To address this problem of determining the driver of semiconductor radiation tolerance, the first step is to generate a dataset of the relative radiation tolerance of a large range of semiconductors (exposed to the same radiation damage and characterized in the same way). To accomplish this, Rutherford backscatter channeling experiments are used to compare the displaced lattice atom buildup in InAs, InP, GaP, GaN, ZnO, MgO, and Si as a function of step-wise alpha particle dose. With this experimental information on radiation-induced incorporation of interstitial defects in hand, hybrid density functional theory electron densities (and their derived quantities) are calculated, and their gradient and Laplacian are evaluated to obtain key fundamental information about the interactions in each material. It is shown that simple, undifferentiated values (which are typically used to describe bond strength) are insufficient to predict radiation tolerance. Instead, the curvature of the electron density at bond critical points provides a measure of radiation tolerance consistent with the experimental results obtained. This curvature and associated forces surrounding bond critical points disfavors localization of displaced lattice atoms at these points, favoring their diffusion toward perfect lattice positions. With this criterion to predict radiation tolerance, simple density functional theory simulations can be conducted on potential new materials to gain insight into how they may operate in demanding high radiation environments.

Keywords: density functional theory, GaN, GaP, InAs, InP, MgO, radiation tolerance, rutherford backscatter channeling

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685 Effect of Pressure and Glue Spread on the Bonding Properties of CLT Panels Made from Low-Grade Hardwood

Authors: Sumanta Das, Miroslav Gašparík, Tomáš Kytka, Anil Kumar Sethy

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In this modern century, Cross-laminated timber (CLT) evolved as an excellent material for building and high load-bearing structural applications worldwide. CLT is produced mainly from softwoods such as Norway spruce, White fir, Scots pine, European larch, Douglas fir, and Swiss stone pine. The use of hardwoods in CLT production is still at an early stage, and the utilization of hardwoods is expected to provide the opportunity for obtaining higher bending stiffness and shear resistance to CLT panels. In load-bearing structures like CLT, bonding is an important character that is needed to evaluate. One particular issue with using hardwood lumber in CLT panels is that it is often more challenging to achieve a strong, durable adhesive bond. Several researches in the past years have already evaluated the bonding properties of CLT panels from hardwood both from higher and lower densities. This research aims to identify the effect of pressure and glue spread and evaluate which poplar lumber characteristics affect adhesive bond quality. Three-layered CLT panels were prepared from poplar wood with one-component polyurethane (PUR) adhesive by applying pressure of 0.6 N/mm2 and 1 N/mm2 with a glue spread rate of 160 and 180 g/m2. The delamination and block shear tests were carried out as per EN 16351:2015, and the wood failure percentage was also evaluated. The results revealed that glue spread rate and applied pressure significantly influenced both the shear bond strength and wood failure percentage of the CLT. However, samples with lower pressure 0.6 N/mm2 and less glue spread rate showed delamination, and in samples with higher pressure 1 N/mm2 and higher glue spread rate, no delamination was observed. All the properties determined by this study met the minimum requirement mentioned in EN 16351:2015 standard.

Keywords: cross-laminated timber, delamination, glue spread rate, poplar, pressure, PUR, shear strength, wood failure percentage

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684 Comparison Between Nano Composite and Pits and Fissure Sealant: In Vitro Study

Authors: Osama Safwat Mohamed

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Pits and fissures dental caries can be prevented using sealant material. This study aimed to compare the microleakage and interfacial morphology of flowable nanocomposites and conventional pit and fissure sealants. 60 extracted intact and caries-free permanent mandibular third molars. The teeth were randomly divided into three groups (n = 20) according to the material used for pit and fissure sealant. Group I: Unfilled resin-based pits and fissure sealant, Group II: Unfilled resin-based pits and fissure sealant with bond and Group III: Nano flowable composite resin with bond. The results showed that nano-flowable composite was significantly better than the conventional sealants groups p = 0.000. As well there was better as well, there were gaps between sealants and the tooth surfaces in groups I and II, but for group III, there was close contact between the nano-flowable composite and tooth surfaces. It was concluded that nano-flowable composite showed better microleakage and interfacial morphology results than conventional pits and fissure sealant and offered promising results at the fissure sealing.

Keywords: pits and fissures, Sealant, nanocomposite, dental caries

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683 Modern Technology for Strengthening Concrete Structures Makes Them Resistant to Earthquakes

Authors: Mohsen Abdelrazek Khorshid Ali Selim

Abstract:

Disadvantages and errors of current concrete reinforcement methodsL: Current concrete reinforcement methods are adopted in most parts of the world in their various doctrines and names. They adopt the so-called concrete slab system, where these slabs are semi-independent and isolated from each other and from the surrounding environment of concrete columns or beams, so that the reinforcing steel does not cross from one slab to another or from one slab to adjacent columns. It or the beams surrounding it and vice versa are only a few centimeters and no more. The same applies exactly to the concrete columns that support the building, where the reinforcing steel does not extend from the slabs or beams to the inside of the columns or vice versa except for a few centimeters and no more, just as the reinforcing steel does not extend from inside the column at the top. The ceiling is only a few centimetres, and the same thing is literally repeated in the concrete beams that connect the columns and separate the slabs, where the reinforcing steel does not cross from one beam to another or from one beam to the slabs or columns adjacent to it and vice versa, except for a few centimeters, which makes the basic building elements of columns, slabs and beams They all work in isolation from each other and from the environment surrounding them from all sides. This traditional method of reinforcement may be valid and lasting in geographical areas that are not exposed to earthquakes and earthquakes, where all the loads and tensile forces in the building are constantly directed vertically downward due to gravity and are borne directly by the vertical reinforcement of the building. However, in the case of earthquakes and earthquakes, the loads and tensile forces in the building shift from the vertical direction to the horizontal direction at an angle of inclination that depends on the strength of the earthquake, and most of them are borne by the horizontal reinforcement extending between the basic elements of the building, such as columns, slabs and beams, and since the crossing of the reinforcement between each of the columns, slabs and beams between them And each other, and vice versa, does not exceed several centimeters. In any case, the tensile strength, cohesion and bonding between the various parts of the building are very weak, which causes the buildings to disintegrate and collapse in the horrific manner that we saw in the earthquake in Turkey and Syria in February 2023, which caused the collapse of tens of thousands of buildings in A few seconds later, it left more than 50,000 dead, hundreds of thousands injured, and millions displaced. Description of the new earthquake-resistant model: The idea of the new model in the reinforcement of concrete buildings and constructions is based on the theory that we have formulated as follows: [The tensile strength, cohesion and bonding between the basic parts of the concrete building (columns, beams and slabs) increases as the lengths of the reinforcing steel bars increase and they extend and branch and the different parts of the building share them with each other.] . In other words, the strength, solidity, and cohesion of concrete buildings increase and they become resistant to earthquakes as the lengths of the reinforcing steel bars increase, extend, branch, and share with the various parts of the building, such as columns, beams, and slabs. That is, the reinforcing skewers of the columns must extend in their lengths without cutting to cross from one floor to another until their end. Likewise, the reinforcing skewers of the beams must extend in their lengths without cutting to cross from one beam to another. The ends of these skewers must rest at the bottom of the columns adjacent to the beams. The same thing applies to the reinforcing skewers of the slabs where they must These skewers should be extended in their lengths without cutting to cross from one tile to another, and the ends of these skewers should rest either under the adjacent columns or inside the beams adjacent to the slabs as follows: First, reinforce the columns: The columns have the lion's share of the reinforcing steel in this model in terms of type and quantity, as the columns contain two types of reinforcing bars. The first type is large-diameter bars that emerge from the base of the building, which are the nerves of the column. These bars must extend over their normal length of 12 meters or more and extend to a height of three floors, if desired. In raising other floors, bars with the same diameter and the same length are added to the top after the second floor. The second type is bars with a smaller diameter, and they are the same ones that are used to reinforce beams and slabs, so that the bars that reinforce the beams and slabs facing each column are bent down inside this column and along the entire length of the column. This requires an order. Most engineers do not prefer it, which is to pour the entire columns and pour the roof at once, but we prefer this method because it enables us to extend the reinforcing bars of both the beams and slabs to the bottom of the columns so that the entire building becomes one concrete block that is cohesive and resistant to earthquakes. Secondly, arming the cameras: The beams' reinforcing skewers must also extend to a full length of 12 meters or more without cutting. The ends of the skewers are bent and dropped inside the column at the beginning of the beam to its bottom. Then the skewers are extended inside the beam so that their other end falls under the facing column at the end of the beam. The skewers may cross over the head of a column. Another passes through another adjacent beam and rests at the bottom of a third column, according to the lengths of each of the skewers and beams. Third, reinforcement of slabs: The slab reinforcing skewers must also extend their entire length, 12 meters or more, without cutting, distinguishing between two cases. The first case is the skewers opposite the columns, and their ends are dropped inside one of the columns. Then the skewers cross inside the adjacent slab and their other end falls below the opposite column. The skewers may cross over The head of the adjacent column passes through another adjacent slab and rests at the bottom of a third column, according to the dimensions of the slabs and the lengths of the skewers. The second case is the skewers opposite the beams, and their ends must be bent in the form of a square or rectangle according to the dimensions of the beam’s width and height, and this square or rectangle is dropped inside the beam at the beginning of the slab, and it serves as The skewers are for the beams, then the skewers are extended along the length of the slab, and at the end of the slab, the skewers are bent down to the bottom of the adjacent beam in the shape of the letter U, after which the skewers are extended inside the adjacent slab, and this is repeated in the same way inside the other adjacent beams until the end of the skewer, then it is bent downward in the form of a square or rectangle inside the beam, as happened. In its beginning.

Keywords: earthquake resistant buildings, earthquake resistant concrete constructions, new technology for reinforcement of concrete buildings, new technology in concrete reinforcement

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682 Effects of Plumage Colour on Measurable Attributes of Indigenous Chickens in North Central Nigeria

Authors: Joseph J. Okoh, Samuel T. Mbap, Tahir Ibrahim, Yusuf P. Mancha

Abstract:

The influence of plumage colour on measurable attributes of 6176 adult indigenous chickens of mixed-sex from four states of the North Central Zone of Nigeria namely; Nasarawa, Niger, Benue, Kogi and the Federal Capital Territory (FCT) Abuja were assessed. The overall average body weight of the chickens was 1.95 ± 0.03kg. The body weights of black, white, black/white, brown, black/brown, grey and mottled chicken however were 1.87 ± 0.04, 1.94 ± 0.04, 1.95 ± 0.03, 1.93 ± 0.03, 2.01 ± 0.04, 1.96 ± 0.04 and 1.94±0.14kg respectively. Only body length did not vary by plumage colour. The others; body weight and width, shank, comb and breast length, breast height (p < 0.001), beak and wing lengths (p < 0.001) varied significantly. Generally, no colour was outrightly superior to others in all body measurements. However, body weight and breast height were both highest in black/brown chickens which also had the second highest breast length. Body width, shank, beak, comb and wing lengths were highest in grey chickens but lowest in those with white colour and combinations. Egg quality was on the other hand mostly lowest in grey chickens. In selection for genetic improvement in body measurements, black/brown and grey chickens should be favoured. However, in view of the known negative relationship between body weight and egg attributes, selection in favour of grey plumage may result in chickens of poor egg attributes. Therefore, grey chickens should be selected against egg quality.

Keywords: body weight, indigenous chicken, measurements, plumage colour

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681 The Relationship between Spanish Economic Variables: Evidence from the Wavelet Techniques

Authors: Concepcion Gonzalez-Concepcion, Maria Candelaria Gil-Fariña, Celina Pestano-Gabino

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We analyze six relevant economic and financial variables for the period 2000M1-2015M3 in the context of the Spanish economy: a financial index (IBEX35), a commodity (Crude Oil Price in euros), a foreign exchange index (EUR/USD), a bond (Spanish 10-Year Bond), the Spanish National Debt and the Consumer Price Index. The goal of this paper is to analyze the main relations between them by computing the Wavelet Power Spectrum and the Cross Wavelet Coherency associated with Morlet wavelets. By using a special toolbox in MATLAB, we focus our interest on the period variable. We decompose the time-frequency effects and improve the interpretation of the results by non-expert users in the theory of wavelets. The empirical evidence shows certain instability periods and reveals various changes and breaks in the causality relationships for sample data. These variables were individually analyzed with Daubechies Wavelets to visualize high-frequency variance, seasonality, and trend. The results are included in Proceeding 20th International Academic Conference, 2015, International Institute of Social and Economic Sciences (IISES), Madrid.

Keywords: economic and financial variables, Spain, time-frequency domain, wavelet coherency

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680 The Improvement of Turbulent Heat Flux Parameterizations in Tropical GCMs Simulations Using Low Wind Speed Excess Resistance Parameter

Authors: M. O. Adeniyi, R. T. Akinnubi

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The parameterization of turbulent heat fluxes is needed for modeling land-atmosphere interactions in Global Climate Models (GCMs). However, current GCMs still have difficulties with producing reliable turbulent heat fluxes for humid tropical regions, which may be due to inadequate parameterization of the roughness lengths for momentum (z0m) and heat (z0h) transfer. These roughness lengths are usually expressed in term of excess resistance factor (κB^(-1)), and this factor is used to account for different resistances for momentum and heat transfers. In this paper, a more appropriate excess resistance factor (〖 κB〗^(-1)) suitable for low wind speed condition was developed and incorporated into the aerodynamic resistance approach (ARA) in the GCMs. Also, the performance of various standard GCMs κB^(-1) schemes developed for high wind speed conditions were assessed. Based on the in-situ surface heat fluxes and profile measurements of wind speed and temperature from Nigeria Micrometeorological Experimental site (NIMEX), new κB^(-1) was derived through application of the Monin–Obukhov similarity theory and Brutsaert theoretical model for heat transfer. Turbulent flux parameterizations with this new formula provides better estimates of heat fluxes when compared with others estimated using existing GCMs κB^(-1) schemes. The derived κB^(-1) MBE and RMSE in the parameterized QH ranged from -1.15 to – 5.10 Wm-2 and 10.01 to 23.47 Wm-2, while that of QE ranged from - 8.02 to 6.11 Wm-2 and 14.01 to 18.11 Wm-2 respectively. The derived 〖 κB〗^(-1) gave better estimates of QH than QE during daytime. The derived 〖 κB〗^(-1)=6.66〖 Re〗_*^0.02-5.47, where Re_* is the Reynolds number. The derived κB^(-1) scheme which corrects a well documented large overestimation of turbulent heat fluxes is therefore, recommended for most regional models within the tropic where low wind speed is prevalent.

Keywords: humid, tropic, excess resistance factor, overestimation, turbulent heat fluxes

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679 Effect of Acids with Different Chain Lengths Modified by Methane Sulfonic Acid and Temperature on the Properties of Thermoplastic Starch/Glycerin Blends

Authors: Chi-Yuan Huang, Mei-Chuan Kuo, Ching-Yi Hsiao

Abstract:

In this study, acids with various chain lengths (C6, C8, C10 and C12) modified by methane sulfonic acid (MSA) and temperature were used to modify tapioca starch (TPS), then the glycerol (GA) were added into modified starch, to prepare new blends. The mechanical properties, thermal properties and physical properties of blends were studied. This investigation was divided into two parts.  First, the biodegradable materials were used such as starch and glycerol with hexanedioic acid (HA), suberic acid (SBA), sebacic acid (SA), decanedicarboxylic acid (DA) manufacturing with different temperatures (90, 110 and 130 °C). And then, the solution was added into modified starch to prepare the blends by using single-screw extruder. The FT-IR patterns indicated that the characteristic peak of C=O in ester was observed at 1730 cm-1. It is proved that different chain length acids (C6, C8, C10 and C12) reacted with glycerol by esterification and these are used to plasticize blends during extrusion. In addition, the blends would improve the hydrolysis and thermal stability. The water contact angle increased from 43.0° to 64.0°.  Second, the HA (110 °C), SBA (110 °C), SA (110 °C), and DA blends (130 °C) were used in study, because they possessed good mechanical properties, water resistances and thermal stability. On the other hand, the various contents (0, 0.005, 0.010, 0.020 g) of MSA were also used to modify the mechanical properties of blends. We observed that the blends were added to MSA, and then the FT-IR patterns indicated that the C=O ester appeared at 1730 cm-1. For this reason, the hydrophobic blends were produced. The water contact angle of the MSA blends increased from 55.0° to 71.0°. Although break elongation of the MSA blends reduced from the original 220% to 128%, the stress increased from 2.5 MPa to 5.1 MPa. Therefore, the optimal composition of blends was the DA blend (130 °C) with adding of MSA (0.005 g).

Keywords: chain length acids, methane sulfonic acid, Tapioca starch (TPS), tensile stress

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678 VII Phytochemistry UNIT-IV Glycoside

Authors: Magy Magdy Danial Riad

Abstract:

Introduction: Glycosides: Enzymatic and hydrolysis reactions of glycosides, mechanism of action, SAR, therapeutic uses and toxicity of glycosides. Cardiac glycosides of digitalis, bufa and squill. Structure of salicin, hesperidin and rutin. Glycosides are certain molecules in which a sugar part is bound to some other part. Glycosides play numerous important roles in living organisms. Formally, a glycoside is any molecule in which a sugar group is bonded through its anomeric carbon to another group and form glycosidic bonds via an O-glycosidic bond or an S-glycosidic bond; glycosides involving the latter are also called thioglycosides. The purpose: the addition of sugar be bonded to a non-sugar for the molecule to qualify as a glycoside, The sugar group is then known as the glycone and the non-sugar group as the aglycone or genin part of the glycoside. The glycone can consist of a single sugar group (monosaccharide) or several sugar groups (oligosaccharide). The glycone and aglycone portions can be chemically separated by hydrolysis in the presence of acid. Methods: There are also numerous enzymes that can form and break glycosidic bonds. Results: The most important cleavage enzymes are the glycoside hydrolases, and the most important synthetic enzymes in nature are glycosyltransferases. Mutant enzymes termed glycosynthases have been developed that can form glycosidic bonds. Conclusions: There are a great many ways to chemically synthesize glycosidic bonds.

Keywords: glycosides, bufa, squill, thioglycosides

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677 Evaluation of Existing Wheat Genotypes of Bangladesh in Response to Salinity

Authors: Jahangir Alam, Ayman El Sabagh, Kamrul Hasan, Shafiqul Islam Sikdar, Celaleddin Barutçular, Sohidul Islam

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The experiment (Germination test and seedling growth) was carried out at the laboratory of Agronomy Department, Hajee Mohammad Danesh Science and Technology University (HSTU), Dinajpur, Bangladesh during January 2014. Germination and seedling growth of 22 existing wheat genotypes in Bangladesh viz. Kheri, Kalyansona, Sonora, Sonalika, Pavon, Kanchan, Akbar, Barkat, Aghrani, Prativa, Sourab, Gourab, Shatabdi, Sufi, Bijoy, Prodip, BARI Gom 25, BARI Gom 26, BARI Gom 27, BARI Gom 28, Durum and Triticale were tested with three salinity levels (0, 100 and 200 mM NaCl) for 10 days in sand culture in small plastic pot. Speed of germination as expressed by germination percentage (GP), rate of germination (GR), germination coefficient (GC) and germination vigor index (GVI) of all wheat genotypes was delayed and germination percentage was reduced due to salinization compared to control. The lower reduction of GP, GR, GC and VI due to salinity was observed in BARI Gom 25, BARI Gom 27, Shatabdi, Sonora, and Akbbar and higher reduction was recorded in BARI Gom 26, Duram, Triticale, Sufi and Kheri. Shoot and root lengths, fresh and dry weights were found to be affected due to salinization and shoot was more affected than root. Under saline conditions, longer shoot and root length were recorded in BARI Gom 25, BARI Gom 27, Akbar, and Shatabdi, i.e. less reduction of shoot and root lengths was observed while, BARI Gom 26, Duram, Prodip and Triticale produced shorted shoot and root lengths. In this study, genotypes BARI Gom 25, BARI Gom 27, Shatabdi, Sonora and Aghrani showed better performance in terms shoot and root growth (fresh and dry weights) and proved to be tolerant genotypes to salinity. On the other hand, Duram, BARI Gom 26, Triticale, Kheri and Prodip affected seriously in terms of fresh and dry weights by the saline environment. BARI Gom 25, BARI Gom 27, Shatabdi, Sonora and Aghrani showed more salt tolerance index (STI) based on shoot dry weight while, BARI Gom 26, Triticale, Durum, Sufi, Prodip and Kalyanson demonstrate lower STI value under saline conditions. Based on the most salt tolerance and susceptible trait, genotypes under 100 and 200 mM NaCl stresses can be arranged as salt tolerance genotypes: BARI Gom 25> BARI Gom 27> Shatabdi> Sonora, and salt susceptible genotypes: BARI Gom 26> Durum> Triticale> Prodip> Sufi> Kheri. Considering the experiment, it can be concluded that the BARI Gom 25 may be treated as the most salt tolerant and BARI Gom 26 as the most salt sensitive genotypes in Bangladesh.

Keywords: genotypes, germination, salinity, wheat

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676 Synthesis of Biologically Active Heterocyclic Compounds via C-H Bond Activation

Authors: Neeraj Kumar Mishra, In Su Kim

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The isoindoline, indazole and indole heterocycles are ubiquitous structural motif found in heterocyclic compounds as they exhibit biological and medicinal applications. For example, isoindoline motif is present in molecules that act as endothelin-A receptor antagonists and dipeptidyl peptidase inhibitors. Moreover, isoindoline derivatives are very crucial constituents in the field of materials science as attractive candidates for organic light-emitting devices. However, compounds containing the indazole motif are known to exhibit to a variety of biological activities, such as estrogen receptor, HIV protease inhibition and anti-tumor activity. The prevalence of indazoles and indoles has led to the development of many useful methods for their preparation. Thus, isoindoline, indazole and indole heterocycles can be new candidates for the next generation of pharmaceuticals. Therefore, the development of highly efficient strategies for the formation of these heterocyclic architectures is an area of great interest in organic synthesis. The past years, transition-metal-catalyzed C−H activation followed by annulation reaction has been frequently used as a powerful tool to construct various heterocycles. Herein, we describe our recent achievements about the transition-metal-catalyzed tandem cyclization reactions of N-benzyltriflamides, 1,2-disubstituted arylhydrazines, acetanilides, etc. via C−H bond activation to access the corresponding bioactive heterocylic scaffolds.

Keywords: biologically active, C-H activation, heterocyclic compounds, transition-metal catalysts

Procedia PDF Downloads 268
675 Supramolecular Approach towards Novel Applications: Battery, Band Gap and Gas Separation

Authors: Sudhakara Naidu Neppalli, Tejas S. Bhosale

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It is well known that the block copolymer (BCP) can form a complex molecule, through non-covalent bonds such as hydrogen bond, ionic bond and co-ordination bond, with low molecular weight compound as well as with macromolecules, which provide vast applications, includes the alteration of morphology and properties of polymers. Hence we covered the research that, the importance of non-covalent bonds in increasing the non-favourable segmental interactions of the blocks was well examined by attaching and detaching the bonds between the BCP and additive. We also monitored the phase transition of block copolymer and effective interaction parameter (χeff) for Li-doped polymers using small angle x-ray scattering and transmission electron microscopy. The effective interaction parameter (χeff) between two block components was evaluated using Leibler theory based on the incompressible random phase approximation (RPA) for ionized BCP in a disordered state. Furthermore, conductivity experiments demonstrate that the ionic conductivity in the samples quenched from the different structures is morphology-independent, while it increases with increasing ion salt concentration. Morphological transitions, interaction parameter, and thermal stability also examined in quarternized block copolymer. D-spacing was used to estimate effective interaction parameter (χeff) of block components in weak and strong segregation regimes of ordered phase. Metal-containing polymer has been the topic of great attention in recent years due to their wide range of potential application. Similarly, metal- ligand complex is used as a supramolecular linker between the polymers giving rise to a ‘Metallo-Supramolecule assembly. More precisely, functionalized polymer end capped with 2, 2’:6’, 2”- terpyridine ligand can be selectively complexed with wide range of transition metal ions and then subsequently attached to other terpyridine terminated polymer block. In compare to other supramolecular assembly, BCP involved metallo-supramolecule assembly offers vast applications such as optical activity, electrical conductivity, luminescence and photo refractivity.

Keywords: band gap, block copolymer, conductivity, interaction parameter, phase transition

Procedia PDF Downloads 139
674 Cost Benefit Analysis: Evaluation among the Millimetre Wavebands and SHF Bands of Small Cell 5G Networks

Authors: Emanuel Teixeira, Anderson Ramos, Marisa Lourenço, Fernando J. Velez, Jon M. Peha

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This article discusses the benefit cost analysis aspects of millimetre wavebands (mmWaves) and Super High Frequency (SHF). The devaluation along the distance of the carrier-to-noise-plus-interference ratio with the coverage distance is assessed by considering two different path loss models, the two-slope urban micro Line-of-Sight (UMiLoS) for the SHF band and the modified Friis propagation model, for frequencies above 24 GHz. The equivalent supported throughput is estimated at the 5.62, 28, 38, 60 and 73 GHz frequency bands and the influence of carrier-to-noise-plus-interference ratio in the radio and network optimization process is explored. Mostly owing to the lessening caused by the behaviour of the two-slope propagation model for SHF band, the supported throughput at this band is higher than at the millimetre wavebands only for the longest cell lengths. The benefit cost analysis of these pico-cellular networks was analysed for regular cellular topologies, by considering the unlicensed spectrum. For shortest distances, we can distinguish an optimal of the revenue in percentage terms for values of the cell length, R ≈ 10 m for the millimeter wavebands and for longest distances an optimal of the revenue can be observed at R ≈ 550 m for the 5.62 GHz. It is possible to observe that, for the 5.62 GHz band, the profit is slightly inferior than for millimetre wavebands, for the shortest Rs, and starts to increase for cell lengths approximately equal to the ratio between the break-point distance and the co-channel reuse factor, achieving a maximum for values of R approximately equal to 550 m.

Keywords: millimetre wavebands, SHF band, SINR, cost benefit analysis, 5G

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673 Exploring the Impact of Input Sequence Lengths on Long Short-Term Memory-Based Streamflow Prediction in Flashy Catchments

Authors: Farzad Hosseini Hossein Abadi, Cristina Prieto Sierra, Cesar Álvarez Díaz

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Predicting streamflow accurately in flashy catchments prone to floods is a major research and operational challenge in hydrological modeling. Recent advancements in deep learning, particularly Long Short-Term Memory (LSTM) networks, have shown to be promising in achieving accurate hydrological predictions at daily and hourly time scales. In this work, a multi-timescale LSTM (MTS-LSTM) network was applied to the context of regional hydrological predictions at an hourly time scale in flashy catchments. The case study includes 40 catchments allocated in the Basque Country, north of Spain. We explore the impact of hyperparameters on the performance of streamflow predictions given by regional deep learning models through systematic hyperparameter tuning - where optimal regional values for different catchments are identified. The results show that predictions are highly accurate, with Nash-Sutcliffe (NSE) and Kling-Gupta (KGE) metrics values as high as 0.98 and 0.97, respectively. A principal component analysis reveals that a hyperparameter related to the length of the input sequence contributes most significantly to the prediction performance. The findings suggest that input sequence lengths have a crucial impact on the model prediction performance. Moreover, employing catchment-scale analysis reveals distinct sequence lengths for individual basins, highlighting the necessity of customizing this hyperparameter based on each catchment’s characteristics. This aligns with well known “uniqueness of the place” paradigm. In prior research, tuning the length of the input sequence of LSTMs has received limited focus in the field of streamflow prediction. Initially it was set to 365 days to capture a full annual water cycle. Later, performing limited systematic hyper-tuning using grid search, revealed a modification to 270 days. However, despite the significance of this hyperparameter in hydrological predictions, usually studies have overlooked its tuning and fixed it to 365 days. This study, employing a simultaneous systematic hyperparameter tuning approach, emphasizes the critical role of input sequence length as an influential hyperparameter in configuring LSTMs for regional streamflow prediction. Proper tuning of this hyperparameter is essential for achieving accurate hourly predictions using deep learning models.

Keywords: LSTMs, streamflow, hyperparameters, hydrology

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672 Naturalization of Aliens in Consideration of Turkish Constitutional Law: Recent Governmental Practices

Authors: Zeynep Ozkan, Cigdem Serra Uzunpinar

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Citizenship is a legal bond that binds a person to a certain state. How constitutions define ‘the citizen’ and how they regulate the elements of citizenship have great importance in terms of individuals’ duties before the state as well as the rights they own. Especially in multi-segmented societies that contain foreign elements, it becomes necessary to examinate the institution of naturalization in terms of individuals’ duty of constitutional citizenship. The meaning of citizenship in Turkey has transformed due to the changes in practices of naturalization, in parallel to receiving huge amount of immagrants with the recent Syrian Crisis, the change in the governmental system and facing economic crisis. This transformation took place in the way of a diversion from the states’ initial motive of building the bond of citizenship with the aim of founding/sustaining political unity. Hence, rising of the economic and political motives in naturalization practices are in question, instead of objective and subjective criterias, that are traditionally used on defining the notion of nation. In this study, firstly the regime of citizenship and the legal regime of aliens in Turkish legislation will be given place. Then, the transformation, that the notion of constitutional citizenship underwent, will be studied, especially on the basis of governmental practices of naturalization. The assessment will be made in the context of legal institutions brought with the new governmental system as a result of recent constitutional amendment.

Keywords: constitutional citizenship, naturalization, naturalization practices in Turkish legal system, transformation of the notion of constitutional citizenship

Procedia PDF Downloads 89
671 Teachers' Emphatic Concern for Their Learners

Authors: Prakash Singh

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The focus of this exploratory study is on whether teachers demonstrate emphatic concern for their learners in planning, implementing and assessing learning outcomes in their regular classrooms. Empathy must be shown to all learners equally and not only for high-risk learners at the expense of other ability learners. Empathy demonstrated by teachers allows them to build a stronger bond with all their learners. This bond based on trust leads to positive outcomes for learners to be able to excel in their work. Empathic teachers must make every effort to simplify the subject matter for high risk learners so that these learners not only enjoy their learning activities but are also successful like their more able peers. A total of 87.5% of the participants agreed that empathy allows teachers to demonstrate humanistic values in their choice of learning materials for learners of different abilities. It is therefore important for teachers to select content and instructional materials that will contribute to the learners’ success in the mainstream of education. It is also imperative for teachers to demonstrate empathic skills and consequently, to be attuned to the emotions and emotional needs of their learners. Schools need to be reformed, not by simply lengthening the school day or by simply adding more content in the curriculum, but by making school more satisfying to learners. This must be consistent with their diverse learning needs and interests so that they gain a sense of power, fulfillment, and importance in their regular classrooms. Hence, teacher - pupil relationships based on empathic concern for the latter’s educational needs lays the foundation for quality education to be offered.

Keywords: emotional intelligence, empathy, learners’ emotional needs, teachers’ empathic skills

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670 Kinetic Study of Municipal Plastic Waste

Authors: Laura Salvia Diaz Silvarrey, Anh Phan

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Municipal Plastic Waste (MPW) comprises a mixture of thermoplastics such as high and low density polyethylene (HDPE and LDPE), polypropylene (PP), polystyrene (PS) and polyethylene terephthalate (PET). Recycling rate of these plastics is low, e.g. only 27% in 2013. The remains were incinerated or disposed in landfills. As MPW generation increases approximately 5% per annum, MPW management technologies have to be developed to comply with legislation . Pyrolysis, thermochemical decomposition, provides an excellent alternative to convert MPW into valuable resources like fuels and chemicals. Most studies on waste plastic kinetics only focused on HDPE and LDPE with a simple assumption of first order decomposition, which is not the real reaction mechanism. The aim of this study was to develop a kinetic study for each of the polymers in the MPW mixture using thermogravimetric analysis (TGA) over a range of heating rates (5, 10, 20 and 40°C/min) in N2 atmosphere and sample size of 1 – 4mm. A model-free kinetic method was applied to quantify the activation energy at each level of conversion. Kissinger–Akahira–Sunose (KAS) and Flynn–Wall–Ozawa (FWO) equations jointly with Master Plots confirmed that the activation energy was not constant along all the reaction for all the five plastic studied, showing that MPW decomposed through a complex mechanism and not by first-order kinetics. Master plots confirmed that MPW decomposed following a random scission mechanism at conversions above 40%. According to the random scission mechanism, different radicals are formed along the backbone producing the cleavage of bonds by chain scission into molecules of different lengths. The cleavage of bonds during random scission follows first-order kinetics and it is related with the conversion. When a bond is broken one part of the initial molecule becomes an unsaturated one and the other a terminal free radical. The latter can react with hydrogen from and adjacent carbon releasing another free radical and a saturated molecule or reacting with another free radical and forming an alkane. Not every time a bonds is broken a molecule is evaporated. At early stages of the reaction (conversion and temperature below 40% and 300°C), most products are not short enough to evaporate. Only at higher degrees of conversion most of cleavage of bonds releases molecules small enough to evaporate.

Keywords: kinetic, municipal plastic waste, pyrolysis, random scission

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669 QTAIM View of Metal-Metal Bonding in Trinuclear Mixed-Metal Bridged Ligand Clusters Containing Ruthenium and Osmium

Authors: Nadia Ezzat Al-Kirbasee, Ahlam Hussein Hassan, Shatha Raheem Helal Alhimidi, Doaa Ezzat Al-Kirbasee, Muhsen Abood Muhsen Al-Ibadi

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Through DFT/QTAIM calculations, we have provided new insights into the nature of the M-M, M-H, M-O, and M-C bonds of the (Cp*Ru)n(Cp*Os)3−n(μ3-O)2(μ-H)(Cp* = η5-C5Me5, n= 3,2,1,0). The topological analysis of the electron density reveals important details of the chemical bonding interactions in the clusters. Calculations confirm the absence of bond critical points (BCP) and the corresponding bond paths (BP) between Ru-Ru, Ru-Os, and Os-Os. The position of bridging hydrides and Oxo atoms coordinated to Ru-Ru, Ru-Os, and Os-Os determines the distribution of the electron densities and which strongly affects the formation of the bonds between these transition metal atoms. On the other hand, the results confirm that the four clusters contain a 6c–12e and 4c–2e bonding interaction delocalized over M3(μ-H)(μ-O)2 and M3(μ-H), respectively, as revealed by the non-negligible delocalization indexes calculations. The small values for electron density ρ(b) above zero, together with the small values, again above zero, for laplacian ∇2ρ(b) and the small negative values for total energy density H(b) are shown by the Ru-H, Os-H, Ru-O, and Os-O bonds in the four clusters are typical of open shell interactions. Also, the topological data for the bonds between Ru and Os atoms with the C atoms of the pentamethylcyclopentadienyl (Cp*) ring ligands are basically similar and show properties very consistent with open shell interactions in the QTAIM classification.

Keywords: metal-metal and metal-ligand interactions, organometallic complexes, topological analysis, DFT and QTAIM analyses

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668 Influence of Different Rhizome Sizes and Operational Speed on the Field Capacity and Efficiency of a Three–Row Turmeric Rhizome Planter

Authors: Muogbo Chukwudi Peter, Gbabo Agidi

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Influence of different turmeric rhizome sizes and machine operational speed on the field capacity and efficiency of a developed prototype tractor-drawn turmeric planter was studied. This was done with a view to ascertaining how the field capacity and field efficiency were affected by the turmeric rhizome lengths and tractor operational speed. The turmeric rhizome planter consists of trapezoidal hopper, grooved cylindrical metering devise, rectangular frame, ground wheels made of mild steel, furrow opener, chain/sprocket drive system, three linkage point seed delivery tube and press wheel. The experiment was randomized in a factorial design of three levels of rhizome lengths (30, 45 and 60 mm) and operational speeds of 8, 10, and 12 kmh-1. About 3 kg cleaned turmeric rhizomes were introduced into each hopper of the planter and were planted 30 m2 of experimental plot. During the field evaluation of the planter, the effective field capacity, field efficiency, missing index, multiple index and percentage rhizome bruise were evaluated. 30.08% was recorded for maximum percentage bruise on the rhizome. The mean effective field capacity ranged between 0.63 – 0.96hah-1 at operational speeds of 8 and 12kmh-1 respectively and 45 mm rhizome length. The result also shows that the mean efficiency was obtained to be 65.8%. The percentage rhizome bruise decreases with increase in operational speed. The highest and lowest percentage turmeric rhizome miss index of 35% were recorded for turmeric rhizome length of 30 mm at a speed of 10 kmhr-1 and 8 kmhr-1, respectively. The potential implications of the experimental result is to determine the optimal machine process conditions for higher field capacity and gross reduction in mechanical injury (bruise) of planted turmeric rhizomes.

Keywords: rhizome sizes, operational speed, field capacity. field efficiency, turmeric rhizome, planter

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667 Synthesis Modified Electrodes with Au/Pt Nanoparticles and Two New Coordination Polymers of Ag(I) and Cu(II) Constructed by Pyrazine and 3-Nitrophthalic Acid as a Novel Electrochemical Sensing Platform

Authors: Zohreh Derikvand, Hadis Cheraghi, Azadeh Azadbakht, Vaclav Eigner, Michal Dusek

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Two new one and two dimensional metal organic coordination polymers of Cu(II), [Cu(3-nph)2(H2O)2pz]n (1) and Ag(I), {[Ag(3-nph)pz].H2O}n (2) with pyrazine (pz) and 3- nitrophthalic acid (3-nph) have been synthesized and characterized by elemental analysis, spectral (IR, UV-Vis), thermal (TG/DTG) analysis and single crystal X-ray diffraction. We used these compounds to preparation modified electrode with Au/Pt nanosparticles in order to investigation electrochemistry and electrocatalysis activities. The surface structure and composition of the sensor were characterized by scanning electron microscopy (SEM). The Ag(I) coordination polymer shows a 2D layer structure constructed from dinuclear silver (I) building blocks in which two crystallographically Ag+ ions are connected to each other by a covalent bond. The pyrazine ligands adopt μ2 bridging modes, linking the metal centers into a one and two -dimensional coordination framework in 1 and 2. The two AgI cations are surrounded by pyrazine and 3-nitrophthalate mono anions and indicate distorted tetrahedral geometry. In the crystal structures of Ag(I) complex there are non-classical hydrogen bonding arrangements, C–O•••π and π–π stacking interactions. In Cu(II) coordination polymer, the coordination geometry around Cu(II) atom is a distorted octahedron. Interestingly, the structural analysis illustrates that the strong and weak hydrogen bond accompanied with C–H•••π and C–O•••π stacking interactions assemble the crystal structure of 1 and 2 into fascinating 3D supramolecular architecture.

Keywords: 3-nithrophethalic acid, crystal structure, coordination polymer, electrocatalysis

Procedia PDF Downloads 294
666 Obligation, the Shifting Nature of Physician-Patient Relationship, and the Basic Healthcare Reform in Mainland China

Authors: Jia Liu

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This article explores the shifting nature of physician-patient relationship in mainland China. Specifically, it takes the physician-patient relationship during the barefoot doctor program in 1968-1978, the marketization of healthcare services in 1978-2002, and the healthcare reform in 2003-2020 as three typical historical periods, illustrating how the nature of the physician-patient relationship has changed over time in mainland China. Drawing on recent jurisprudential literature that emphasizes the roles and functions done by and through obligation rather than right, it explores how the obligations of physicians and patients along with the implementation of informed consent, marketization of the healthcare system, and the basic healthcare reform have affected their relationship. One key feature of this article is that it analyzes the ways in which commodification and decommodification of healthcare have defined and in many different ways have determined the expectations and practices of physicians and patients, which illustrates how the trust between physicians and patients threatens to collapse and the bond between the citizen and the state fails to be firmly established in the mainland Chinese healthcare context. It also pays special attention to the role played by law and legal institutions—for instance, the implementation of informed consent and the liability law—in being complicit in facilitating the decoupling of the practices of physicians and patients from their ethical senses of obligation and undermining the bond (the trust relationship) between them.

Keywords: healthcare, marketization, physician-patient relationship, sense of obligation

Procedia PDF Downloads 117
665 A Density Function Theory Based Comparative Study of Trans and Cis - Resveratrol

Authors: Subhojyoti Chatterjee, Peter J. Mahon, Feng Wang

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Resveratrol (RvL), a phenolic compound, is a key ingredient in wine and tomatoes that has been studied over the years because of its important bioactivities such as anti-oxidant, anti-aging and antimicrobial properties. Out of the two isomeric forms of resveratrol i.e. trans and cis, the health benefit is primarily associated with the trans form. Thus, studying the structural properties of the isomers will not only provide an insight into understanding the RvL isomers, but will also help in designing parameters for differentiation in order to achieve 99.9% purity of trans-RvL. In the present study, density function theory (DFT) study is conducted, using the B3LYP/6-311++G** model to explore the through bond and through space intramolecular interactions. Properties such as vibrational spectroscopy (IR and Raman), nuclear magnetic resonance (NMR) spectra, excess orbital energy spectrum (EOES), energy based decomposition analyses (EDA) and Fukui function are calculated. It is discovered that the structure of trans-RvL, although it is C1 non-planar, the backbone non-H atoms are nearly in the same plane; whereas the cis-RvL consists of two major planes of R1 and R2 that are not in the same plane. The absence of planarity gives rise to a H-bond of 2.67Å in cis-RvL. Rotation of the C(5)-C(8) single bond in trans-RvL produces higher energy barriers since it may break the (planar) entire conjugated structure; while such rotation in cis-RvL produces multiple minima and maxima depending on the positions of the rings. The calculated FT-IR spectrum shows very different spectral features for trans and cis-RvL in the region 900 – 1500 cm-1, where the spectral peaks at 1138-1158 cm-1 are split in cis-RvL compared to a single peak at 1165 cm-1 in trans-RvL. In the Raman spectra, there is significant enhancement of cis-RvL in the region above 3000cm-1. Further, the carbon chemical environment (13C NMR) of the RvL molecule exhibit a larger chemical shift for cis-RvL compared to trans-RvL (Δδ = 8.18 ppm) for the carbon atom C(11), indicating that the chemical environment of the C group in cis-RvL is more diverse than its other isomer. The energy gap between highest occupied molecular orbital (HOMO) and the lowest occupied molecular orbital (LUMO) is 3.95 eV for trans and 4.35 eV for cis-RvL. A more detailed inspection using the recently developed EOES revealed that most of the large energy differences i.e. Δεcis-trans > ±0.30 eV, in their orbitals are contributed from the outer valence shell. They are MO60 (HOMO), MO52-55 and MO46. The active sites that has been captured by Fukui function (f + > 0.08) are associated with the stilbene C=C bond of RvL and cis-RvL is more active at these sites than in trans-RvL, as cis orientation breaks the large conjugation of trans-RvL so that the hydroxyl oxygen’s are more active in cis-RvL. Finally, EDA highlights the interaction energy (ΔEInt) of the phenolic compound, where trans is preferred over the cis-RvL (ΔΔEi = -4.35 kcal.mol-1) isomer. Thus, these quantum mechanics results could help in unwinding the diversified beneficial activities associated with resveratrol.

Keywords: resveratrol, FT-IR, Raman, NMR, excess orbital energy spectrum, energy decomposition analysis, Fukui function

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664 The Simulation of Superfine Animal Fibre Fractionation: The Strength Variation of Fibre

Authors: Sepehr Moradi

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This study investigates the contribution of individual Australian Superfine Merino Wool (ASFW) and Inner Mongolia Cashmere (IMC) fibres strength behaviour to the breaking force variation (CVBF) and minimum fibre diameter (CVₘFD) induced by actual single fibre lengths and the combination of length and diameter groups. Mid-side samples were selected for the ASFW (n = 919) and IMC (n = 691) since it is assumed to represent the average of the whole fleece. The average (LₘFD) varied for ASFW and IMC by 36.6 % and 33.3 % from shortest to longest actual single fibre length and -21.2 % and -21.7 % between longest-coarsest and shortest-finest groups, respectively. The tensile properties of single animal fibres were characterised using Single Fibre Analyser (SIFAN 4). After normalising for diversity in fibre diameter at the position of breakage, the parameters, which explain the strength behaviour within actual fibre lengths and combination of length-diameter groups, were the Intrinsic Fibre Strength (IFS) (MPa), Min IFS (MPa), Max IFS (MPa) and Breaking force (BF) (cN). The average strength of single fibres varied extensively within actual length groups and within a combination of length-diameter groups. IFS ranged for ASFW and IMC from 419 to 355 MPa (-15.2 % range) and 353 to 319 (-9.6 % range) and BF from 2.2 to 3.6 (63.6 % range) and 3.2 to 5.3 cN (65.6 % range) from shortest to longest groups, respectively. Single fibre properties showed no differences within actual length groups and within a combination of length-diameter groups, or was there a strong interaction between the strength of single fibre (P > 0.05) within remaining and removing length-diameter groups. Longer-coarser fibre fractionation had a significant effect on BF and IFS and all of the length groups showed a considerable variance in single fibre strength that is accounted for by diversity in the diameter variation along the fibre. There are many concepts for the improvement of the stress-strain properties of animal fibres as a means of raising a single fibre strength by simultaneous changes in fibre length and diameter. Fibre fractionation over a given length directly for single fibre strength or using the variation traits of fibre diameter is an important process used to increase the strength of the single fibre.

Keywords: single animal fibre fractionation, actual length groups, strength variation, length-diameter groups, diameter variation along fibre

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663 A Discrete Element Method-Based Simulation of Toppling Failure Considering Block Interaction

Authors: Hooman Dabirmanesh, Attila M. Zsaki

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The toppling failure mode in a rock mass is considerably different from the most common sliding failure type along an existing or an induced slip plane. Block toppling is observed in a rock mass which consists of both a widely-spaced basal cross-joint set and a closely-spaced discontinuity set dipping into the slope. For this case, failure occurs when the structure cannot bear the tensile portion of bending stress, and the columns or blocks overturn by their own weight. This paper presents a particle-based discrete element model of rock blocks subjected to a toppling failure where geometric conditions and interaction among blocks are investigated. A series of parametric studies have been conducted on particles’ size, arrangement and bond contact among of particles which are made the blocks. Firstly, a numerical investigation on a one-block system was verified. Afterward, a slope consisting of multi-blocks was developed to study toppling failure and interaction forces between blocks. The results show that the formation of blocks, especially between the block and basal plane surface, can change the process of failure. The results also demonstrate that the initial configuration of particles used to form the blocks has a significant role in achieving accurate simulation results. The size of particles and bond contacts have a considerable influence to change the progress of toppling failure.

Keywords: block toppling failure, contact interaction, discrete element, particle size, random generation

Procedia PDF Downloads 157