Search results for: relative binding affinity
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 3270

Search results for: relative binding affinity

2670 Beta-Cyclodextrin Inclusion Complexes for Antifungal Food Packaging Applications

Authors: Cristina Munoz-Shuguli, Francisco Rodriguez, Julio Bruna, M. Jose Galotto, Abel Guarda

Abstract:

The microbial contamination in fruits due to the presence of fungal is the most important cause of their deterioration and loss. The development of active food packaging materials with antifungal properties has been proposed as an innovative strategy in order to prevent this problem. In this way, natural compounds as the essential oils or their derivatives, also called volatile compounds (VC), can be incorporated in the food packaging materials to control the fungal growth during fruit packaging. However, if the VC is incorporated directly in the packaging material, it is released very fast due to VC high volatility. For this reason, the formation of inclusion complexes through the encapsulation of VC into beta-cyclodextrin (β-CD) and their incorporation in package materials is an alternative to maintain an antifungal atmosphere around the packaged fruits for longer times. In this context, the aim of this work was to develop inclusion complexes based in β-CD and VC (β-CD:VC) for further application in the antifungal food packaging materials development. β-CD:VC inclusion complexes were obtained with two different molar ratios 2:1 and 1:1, through co-precipitation method. The entrapment efficiency of β-CD:VC as well the release of antifungal compound from inclusion complexes exposed to different relative humidity (25, 50, and 97 %) to headspace were determined by gaseous chromatography (GC). Also, thermal and antimicrobial properties of β-CD:VC were determined through thermogravimetric analysis (TGA) and antifungal assays against Botrytis cinerea, respectively. GC results showed that β-CD:VC 2:1 had a higher entrapment efficiency than β-CD:VC 1:1, with values of 75.5 ± 3.71 % and 59.6 ± 1.51 %, respectively. It was probably because during the synthesis of β-CD:VC 1:1, there was less molecular space to the movement of VC molecules. Furthermore, the release of VC from β-CD:VC was directly related with the relative humidity. High amount of VC was released when the inclusion complexes were exposed to high humidity, possibly due to the interactions between the water molecules and the β-CD hydrophilic wall. On the other hand, a better thermal stability of VC in inclusion complexes allowed to verify its effective encapsulation into β-CD. Finally, antimicrobial assays showed that the inclusion complexes had a high antifungal activity at very low concentrations. Therefore, the results obtained in this work allow suggesting the β-CD:VC inclusion complexes as potential candidates to the development of fruit antifungal packaging materials, which activity is relative humidity dependent.

Keywords: Botrytis cinerea, fruit packaging, headspace release, volatile compounds

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2669 Effect of Nano/Micro Alumina Matrix on Alumina-Cubic Boron Nitride Composites Consolidated by Spark Plasma Sintering

Authors: A. S. Hakeem, B. Ahmed, M. Ehsan, A. Ibrahim, H. M. Irshad, T. Laoui

Abstract:

Alumina (Al2O3) - cubic boron nitride (cBN) ceramic composites were sintered by spark plasma sintering (SPS) using α-Al2O3 particle sizes; 150 µm, 150 nm and cBN particle size of 42 µm. Alumina-cBN composites containing 10, 20 and 30wt% cBN with and without Ni coated were sintering at an elevated temperature of 1400°C at a constant uniaxial pressure of 50 MPa. The effect of matrix particle size, cBN and Ni content on mechanical properties and thermal properties, i.e., thermal conductivity, diffusivity, expansion, densification, phase transformation, microstructure, hardness and toughness of the Al2O3-cBN/(Ni) composites under specific sintering conditions were investigated. The highest relative densification of 150 nm-Al2O3 containing 30wt% cBN (Ni coated) composite was 99% at TSPS = 1400°C. In case of 150 µm- Al2O3 compositions, the phase transformation of cBN to hBN were observed, and the relative densification decreased. Thermal conductivity depicts maximum value in case of 150 nm- Al2O3-30wt% cBN-Ni composition. The Vickers hardness of this composition at TSPS = 1400°C also showed the highest value of 29 GPa.

Keywords: alumina composite, cubic boron nitride, mechanical properties, phase transformation, Spark plasma sintering

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2668 CFD Investigation on Heat Transfer and Friction Characteristics of Rib Roughened Evacuated Tube Collector Solar Air Heater

Authors: Mohit Singla, Vishavjeet Singh Hans, Sukhmeet Singh

Abstract:

Heat transfer and friction characteristics of evacuated tube collector solar air heater artificially roughened with periodic circular rib of uniform cross-section were investigated. The present investigation was carried out in ANSYS Fluent 15.0 to study the impact of roughness geometry parameters, i.e. relative roughness pitch (P/e) of 8 and relative roughness height (e/Dh) of 0.064 and flow parameters, i.e. Reynolds number range of 2500-8000 on Nusselt number and friction factor. RNG k-ε with enhanced wall treatment turbulence model was selected for analysis. The results obtained for roughened evacuated tube collector has been compared with smooth evacuated tube collector for the similar flow conditions. With the increment in Reynolds number from 2500 to 8000, Nusselt number augments while friction factor decreases. Maximum enhancement ratio of Nusselt number and friction factor was 1.71 and 2.7 respectively, obtained at Reynolds number value of 8000. The value of thermo-hydraulic performance parameter was varied between 1.18 - 1.23 for the entire range of Reynolds number, indicates the advantage to use the roughened evacuated tube collector over smooth evacuated tube collector in solar air heater.

Keywords: artificial roughness, evacuated tube collector, friction factor, Nusselt number

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2667 Evaluation of Different Waste Management Planning Strategies in an Industrial City

Authors: Leila H. Khiabani, Mohammadreza Vafaee, Farshad Hashemzadeh

Abstract:

Industrial waste management regulates different stages of production, storage, transfer, recycling and waste disposal. There are several common practices for industrial waste management. However, due to various local health, economic, social, environmental and aesthetic considerations, the most optimal principles and measures often vary at each specific industrial zone. In addition, waste management strategies are heavily impacted by local administrative, legal, and financial regulations. In this study, a hybrid qualitative and quantitative research methodology has been designed for waste management planning in an industrial city. Firstly, following a qualitative research methodology, the most relevant waste management strategies for the specific industrial city were identified through interviews with environmental planning and waste management experts. Forty experts participated in this study. Alborz industrial city in Iran, which hosts more than one thousand industrial units in nine hundred acres, was chosen as the sample industrial city in this study. The findings from the expert interviews at the first phase were then used to design a quantitative questionnaire for the second phase of the study. The aim of the questionnaire was to quantify the relative impact of different waste management strategies in the sample industrial city. Eight waste management strategies and three implementation policies were included in the questionnaire. The experts were asked to rank the relative effectiveness of each strategy for environmental planning of the sample industrial city. They were also asked to rank the relative effectiveness of each planning policy on each of the waste management strategies. In the end, the weighted average of all the responses was calculated to identify the most effective waste management strategy and planning policies for the sample industrial city. The results suggested that among the eight suggested waste management strategies, industrial composting is the most effective (31%) strategy based on the collective evaluation of the local expert. Additionally, the results suggested that the most effective policy (58%) in the city’s environmental planning is to reduce waste generation by prolonging the effective life of industrial products using higher quality and recyclable materials. These findings can provide useful expert guidelines for prioritization between different waste management strategies in the city’s overall environmental planning roadmap. The findings may also be applicable to similar industrial cities. In addition, a similar methodology can be utilized in the environmental planning of other industrial cities.

Keywords: environmental planning, industrial city, quantitative research, waste management

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2666 Biodegradable Poly D,L-Lactide-Co-Glycolic Acid Microparticle Vaccine against Aeromonas hydrophila Infection

Authors: Saekil Yun, Sib Sankar Giri, Jin Woo Jun, Hyoun Joong Kim, Sang Guen Kim, Sang Wha Kim, Jung Woo Kang, Se Jin Han, Se Chang Park

Abstract:

In aquaculture, vaccination is important to control and prevent diseases. In the study, we utilized poly D,L-lactide-co-glycolic acid (PLGA) microparticles (MPs) for encapsulating formalin-killed Aeromonas hydrophila cells. To assess the innate and adaptive immune responses, carps and loaches were used for the experiments. Fish were divided into three groups (A, B, C). Total antigen of 0.1 ml vaccine was adjusted by 2 x 108 CFU and injected via intraperitoneal route. Group A was vaccinated with 0.1 ml of PLGA vaccine, group B was with 0.1 ml of FKC vaccine and group C was with 0.1 ml of sterile PBS. All three groups were challenged with A. hydrophila and challenge dose was lethal dose (LD50). Loaches and carp were then challenged with A. hydrophila at 12 and 20 weeks post vaccination (wpv), and 10 and 14 wpv, respectively, and relative survival rates were calculated. For both fish species, the curve of antibody titer over time was shallower in the PLGA group than the FKC group and the PLGA groups demonstrated higher survival rates at all time-points. In the groups of PLGA-MP, relative mRNA levels of IL-1β, TNF-α, lysozyme C and IgM were significantly upregulated than FKC treated groups. Biodegradable PLGA microparticle vaccine could induce longer immune responses than original FKC vaccines to protect from A. hydrophila infection.

Keywords: PLGA, microparticles, Aeromonas hydrophila, vaccine

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2665 Effect of White Roofing on Refrigerated Buildings

Authors: Samuel Matylewicz, K. W. Goossen

Abstract:

The deployment of white or cool (high albedo) roofing is a common energy savings recommendation for a variety of buildings all over the world. Here, the effect of a white roof on the energy savings of an ice rink facility in the northeastern US is determined by measuring the effect of solar irradiance on the consumption of the rink's ice refrigeration system. The consumption of the refrigeration system was logged over a year, along with multiple weather vectors, and a statistical model was applied. The experimental model indicates that the expected savings of replacing the existing grey roof with a white roof on the consumption of the refrigeration system is only 4.7 %. This overall result of the statistical model is confirmed with isolated instances of otherwise similar weather days, but cloudy vs. sunny, where there was no measurable difference in refrigeration consumption up to the noise in the local data, which was a few percent. This compares with a simple theoretical calculation that indicates 30% savings. The difference is attributed to a lack of convective cooling of the roof in the theoretical model. The best experimental model shows a relative effect of the weather vectors dry bulb temperature, solar irradiance, wind speed, and relative humidity on refrigeration consumption of 1, 0.026, 0.163, and -0.056, respectively. This result can have an impact on decisions to apply white roofing to refrigerated buildings in general.

Keywords: cool roofs, solar cooling load, refrigerated buildings, energy-efficient building envelopes

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2664 Studying the Structural Behaviour of RC Beams with Circular Openings of Different Sizes and Locations Using FE Method

Authors: Ali Shubbar, Hasanain Alwan, Ee Yu Phur, John McLoughlin, Ameer Al-khaykan

Abstract:

This paper aims to investigate the structural behaviour of RC beams with circular openings of different sizes and locations modelled using ABAQUS FEM software. Seven RC beams with the dimensions of 1200 mm×150 mm×150 mm were tested under three-point loading. Group A consists of three RC beams incorporating circular openings with diameters of 40 mm, 55 mm and 65 mm in the shear zone. However, Group B consists of three RC beams incorporating circular openings with diameters of 40 mm, 55 mm and 65 mm in the flexural zone. The final RC beam did not have any openings, to provide a control beam for comparison. The results show that increasing the diameter of the openings increases the maximum deflection and the ultimate failure load decreases relative to the control beam. In the shear zone, the presence of the openings caused an increase in the maximum deflection ranging between 4% and 22% and a decrease in the ultimate failure load of between 26% and 36% compared to the control beam. However, the presence of the openings in the flexural zone caused an increase in the maximum deflection of between 1.5% and 19.7% and a decrease in the ultimate failure load of between 6% and 13% relative to the control beam. In this study, the optimum location for placing circular openings was found to be in the flexural zone of the beam with a diameter of less than 30% of the depth of the beam.

Keywords: ultimate failure load, maximum deflection, shear zone and flexural zone

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2663 Crystallography Trials of Escherichia coli Nitrate Transporter, NarU

Authors: Naureen Akhtar

Abstract:

The stability of the protein in detergent-containing solution is the key for its successful crystallisation. Fluorescence-detection size-exclusion chromatography (FSEC) is a potential approach for screening monodispersity as well as the stability of protein in a detergent-containing-solution. In this present study, covalently linked Green Fluorescent Protein (GFP) to bacterial nitrate transporter, NarU from Escherichia coli was studied for pre-crystallisation trials by FSEC. Immobilised metal ion affinity chromatography (IMAC) and gel filtration were employed for their purification. The main objectives of this study were over-expression, detergent screening and crystallisation of nitrate transporter proteins. This study could not produce enough proteins that could realistically be taken forward to achieve the objectives set for this particular research. In future work, different combinations of variables like vectors, tags, creation of mutant proteins, host cells, position of GFP (N- or C-terminal) and/or membrane proteins would be tried to determine the best combination as the principle of technique is still promising.

Keywords: transporters, detergents, over-expression, crystallography

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2662 Mechanical Characterization of Mango Peel Flour and Biopolypropylene Composites Compatibilized with PP-g-IA

Authors: J. Gomez-Caturla, L. Quiles-Carrillo, J. Ivorra-Martinez, D. Garcia-Garcia, R. Balart

Abstract:

The present work reports on the development of wood plastic composites based on biopolypropylene (BioPP) and mango peel flour (MPF) by extrusion and injection moulding processes. PP-g-IA and DCP have been used as a compatibilizer and as free radical initiators for reactive extrusion, respectively. Mechanical and morphological properties have been characterized in order to study the compatibility of the blends. The obtained results showed that DCP and PP-g-IA improved the stiffness of BioPP in terms of elastic modulus. Moreover, they positively increased the tensile strength and elongation at the break of the blends in comparison with the sample that only had BioPP and MPF in its composition, improving the affinity between both compounds. DCP and PP-g-IA even seem to have certain synergy, which was corroborated through FESEM analysis. Images showed that the MPF particles had greater adhesion to the polymer matrix when PP-g-IA and DCP were added. This effect was more intense when both elements were added, observing an almost inexistent gap between MPF particles and the BioPP matrix.

Keywords: biopolyproylene, compatibilization, mango peel flour, wood plastic composite

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2661 Electron Density Discrepancy Analysis of Energy Metabolism Coenzymes

Authors: Alan Luo, Hunter N. B. Moseley

Abstract:

Many macromolecular structure entries in the Protein Data Bank (PDB) have a range of regional (localized) quality issues, be it derived from x-ray crystallography, Nuclear Magnetic Resonance (NMR) spectroscopy, or other experimental approaches. However, most PDB entries are judged by global quality metrics like R-factor, R-free, and resolution for x-ray crystallography or backbone phi-psi distribution statistics and average restraint violations for NMR. Regional quality is often ignored when PDB entries are re-used for a variety of structurally based analyses. The binding of ligands, especially ligands involved in energy metabolism, is of particular interest in many structurally focused protein studies. Using a regional quality metric that provides chemically interpretable information from electron density maps, a significant number of outliers in regional structural quality was detected across x-ray crystallographic PDB entries for proteins bound to biochemically critical ligands. In this study, a series of analyses was performed to evaluate both specific and general potential factors that could promote these outliers. In particular, these potential factors were the minimum distance to a metal ion, the minimum distance to a crystal contact, and the isotropic atomic b-factor. To evaluate these potential factors, Fisher’s exact tests were performed, using regional quality criteria of outlier (top 1%, 2.5%, 5%, or 10%) versus non-outlier compared to a potential factor metric above versus below a certain outlier cutoff. The results revealed a consistent general effect from region-specific normalized b-factors but no specific effect from metal ion contact distances and only a very weak effect from crystal contact distance as compared to the b-factor results. These findings indicate that no single specific potential factor explains a majority of the outlier ligand-bound regions, implying that human error is likely as important as these other factors. Thus, all factors, including human error, should be considered when regions of low structural quality are detected. Also, the downstream re-use of protein structures for studying ligand-bound conformations should screen the regional quality of the binding sites. Doing so prevents misinterpretation due to the presence of structural uncertainty or flaws in regions of interest.

Keywords: biomacromolecular structure, coenzyme, electron density discrepancy analysis, x-ray crystallography

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2660 Evaluation of Invasive Tree Species for Production of Phosphate Bonded Composites

Authors: Stephen Osakue Amiandamhen, Schwaller Andreas, Martina Meincken, Luvuyo Tyhoda

Abstract:

Invasive alien tree species are currently being cleared in South Africa as a result of the forest and water imbalances. These species grow wildly constituting about 40% of total forest area. They compete with the ecosystem for natural resources and are considered as ecosystem engineers by rapidly changing disturbance regimes. As such, they are harvested for commercial uses but much of it is wasted because of their form and structure. The waste is being sold to local communities as fuel wood. These species can be considered as potential feedstock for the production of phosphate bonded composites. The presence of bark in wood-based composites leads to undesirable properties, and debarking as an option can be cost implicative. This study investigates the potentials of these invasive species processed without debarking on some fundamental properties of wood-based panels. Some invasive alien tree species were collected from EC Biomass, Port Elizabeth, South Africa. They include Acacia mearnsii (Black wattle), A. longifolia (Long-leaved wattle), A. cyclops (Red-eyed wattle), A. saligna (Golden-wreath wattle) and Eucalyptus globulus (Blue gum). The logs were chipped as received. The chips were hammer-milled and screened through a 1 mm sieve. The wood particles were conditioned and the quantity of bark in the wood was determined. The binding matrix was prepared using a reactive magnesia, phosphoric acid and class S fly ash. The materials were mixed and poured into a metallic mould. The composite within the mould was compressed at room temperature at a pressure of 200 KPa. After initial setting which took about 5 minutes, the composite board was demoulded and air-cured for 72 h. The cured product was thereafter conditioned at 20°C and 70% relative humidity for 48 h. Test of physical and strength properties were conducted on the composite boards. The effect of binder formulation and fly ash content on the properties of the boards was studied using fitted response surface technology, according to a central composite experimental design (CCD) at a fixed wood loading of 75% (w/w) of total inorganic contents. The results showed that phosphate/magnesia ratio of 3:1 and fly ash content of 10% was required to obtain a product of good properties and sufficient strength for intended applications. The proposed products can be used for ceilings, partitioning and insulating wall panels.

Keywords: invasive alien tree species, phosphate bonded composites, physical properties, strength

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2659 Determination of the Inhibitory Effects of N-Methylpyrrole Derivatives on Glutathione Reductase Enzyme

Authors: Esma Kocaoglu, Oktay Talaz, Huseyin Cavdar, Murat Senturk, Deniz Eki̇nci̇

Abstract:

Glutathione reductase (GR) is a crucial antioxidant enzyme which is responsible for the maintenance of the antioxidant GSH (glutathione) molecule. Antimalarial effects of some chemical molecules are attributed to their inhibition of GR; thus inhibitors of this enzyme are expected to be promising candidates for the treatment of malaria. In this work, GR inhibitory properties of N-Methylpyrrole derivatives are reported. Firstly, GR was purified by means of affinity chromatography using 2’,5’-ADP-Sepharose 4B as ligand. Enzymatic activity was measured by Beutler’s method. Synthesis of the compounds was approved by thin layer chromatography and column chromatography. Different inhibitor concentrations were used and all compounds were tested in triplicate at each concentration used. It was found that all compounds have better inhibitory activity than the strong GR inhibitor N,N-bis(2-chloroethyl)-N-nitrosourea, especially three molecules, 8m, 8n, and 8q, are the best among them with low micromolar I₅₀ values. Findings of our study indicate that these Schiff base derivatives are strong GR inhibitors which can be used as leads for designation of novel antimalaria candidates.

Keywords: glutathione reductase, antimalaria, inhibitor, enzyme

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2658 Investigation of the IL23R Psoriasis/PsA Susceptibility Locus

Authors: Shraddha Rane, Richard Warren, Stephen Eyre

Abstract:

L-23 is a pro-inflammatory molecule that signals T cells to release cytokines such as IL-17A and IL-22. Psoriasis is driven by a dysregulated immune response, within which IL-23 is now thought to play a key role. Genome-wide association studies (GWAS) have identified a number of genetic risk loci that support the involvement of IL-23 signalling in psoriasis; in particular a robust susceptibility locus at a gene encoding a subunit of the IL-23 receptor (IL23R) (Stuart et al., 2015; Tsoi et al., 2012). The lead psoriasis-associated SNP rs9988642 is located approximately 500 bp downstream of IL23R but is in tight linkage disequilibrium (LD) with a missense SNP rs11209026 (R381Q) within IL23R (r2 = 0.85). The minor (G) allele of rs11209026 is present in approximately 7% of the population and is protective for psoriasis and several other autoimmune diseases including IBD, ankylosing spondylitis, RA and asthma. The psoriasis-associated missense SNP R381Q causes an arginine to glutamine substitution in a region of the IL23R protein between the transmembrane domain and the putative JAK2 binding site in the cytoplasmic portion. This substitution is expected to affect the receptor’s surface localisation or signalling ability, rather than IL23R expression. Recent studies have also identified a psoriatic arthritis (PsA)-specific signal at IL23R; thought to be independent from the psoriasis association (Bowes et al., 2015; Budu-Aggrey et al., 2016). The lead PsA-associated SNP rs12044149 is intronic to IL23R and is in LD with likely causal SNPs intersecting promoter and enhancer marks in memory CD8+ T cells (Budu-Aggrey et al., 2016). It is therefore likely that the PsA-specific SNPs affect IL23R function via a different mechanism compared with the psoriasis-specific SNPs. It could be hypothesised that the risk allele for PsA located within the IL23R promoter causes an increase IL23R expression, relative to the protective allele. An increased expression of IL23R might then lead to an exaggerated immune response. The independent genetic signals identified for psoriasis and PsA in this locus indicate that different mechanisms underlie these two conditions; although likely both affecting the function of IL23R. It is very important to further characterise these mechanisms in order to better understand how the IL-23 receptor and its downstream signalling is affected in both diseases. This will help to determine how psoriasis and PsA patients might differentially respond to therapies, particularly IL-23 biologics. To investigate this further we have developed an in vitro model using CD4 T cells which express either wild type IL23R and IL12Rβ1 or mutant IL23R (R381Q) and IL12Rβ1. Model expressing different isotypes of IL23R is also underway to investigate the effects on IL23R expression. We propose to further investigate the variants for Ps and PsA and characterise key intracellular processes related to the variants.

Keywords: IL23R, psoriasis, psoriatic arthritis, SNP

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2657 Nano-Pesticides: Recent Emerging Tool for Sustainable Agricultural Practices

Authors: Ekta, G. K. Darbha

Abstract:

Nanotechnology offers the potential of simultaneously increasing efficiency as compared to their bulk material as well as reducing harmful environmental impacts of pesticides in field of agriculture. The term nanopesticide covers different pesticides that are cumulative of several surfactants, polymers, metal ions, etc. of nanometer size ranges from 1-1000 nm and exhibit abnormal behavior (high efficacy and high specific surface area) of nanomaterials. Commercial formulations of pesticides used by farmers nowadays cannot be used effectively due to a number of problems associated with them. For example, more than 90% of applied formulations are either lost in the environment or unable to reach the target area required for effective pest control. Around 20−30% of pesticides are lost through emissions. A number of factors (application methods, physicochemical properties of the formulations, and environmental conditions) can influence the extent of loss during application. It is known that among various formulations, polymer-based formulations show the greatest potential due to their greater efficacy, slow release and protection against premature degradation of active ingredient as compared to other commercial formulations. However, the nanoformulations can have a significant effect on the fate of active ingredient as well as may release some new ingredients by reacting with existing soil contaminants. Environmental fate of these newly generated species is still not explored very well which is essential to field scale experiments and hence a lot to be explored in the field of environmental fate, nanotoxicology, transport properties and stability of such formulations. In our preliminary work, we have synthesized polymer based nanoformulation of commercially used weedicide atrazine. Atrazine belongs to triazine class of herbicide, which is used in the effective control of seed germinated dicot weeds and grasses. It functions by binding to the plastoquinone-binding protein in PS-II. Plant death results from starvation and oxidative damage caused by breakdown in electron transport system. The stability of the suspension of nanoformulation containing herbicide has been evaluated by considering different parameters like polydispersity index, particle diameter, zeta-potential under different environmental relevance condition such as pH range 4-10, temperature range from 25°C to 65°C and stability of encapsulation also have been studied for different amount of added polymer. Morphological characterization has been done by using SEM.

Keywords: atrazine, nanoformulation, nanopesticide, nanotoxicology

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2656 Impact of Climate on Sugarcane Yield Over Belagavi District, Karnataka Using Statistical Mode

Authors: Girish Chavadappanavar

Abstract:

The impact of climate on agriculture could result in problems with food security and may threaten the livelihood activities upon which much of the population depends. In the present study, the development of a statistical yield forecast model has been carried out for sugarcane production over Belagavi district, Karnataka using weather variables of crop growing season and past observed yield data for the period of 1971 to 2010. The study shows that this type of statistical yield forecast model could efficiently forecast yield 5 weeks and even 10 weeks in advance of the harvest for sugarcane within an acceptable limit of error. The performance of the model in predicting yields at the district level for sugarcane crops is found quite satisfactory for both validation (2007 and 2008) as well as forecasting (2009 and 2010).In addition to the above study, the climate variability of the area has also been studied, and hence, the data series was tested for Mann Kendall Rank Statistical Test. The maximum and minimum temperatures were found to be significant with opposite trends (decreasing trend in maximum and increasing in minimum temperature), while the other three are found in significant with different trends (rainfall and evening time relative humidity with increasing trend and morning time relative humidity with decreasing trend).

Keywords: climate impact, regression analysis, yield and forecast model, sugar models

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2655 Study of the Benefit Analysis Using Vertical Farming Method in Urban Renewal within the Older City of Taichung

Authors: Hsu Kuo-Wei, Tan Roon Fang, Chao Jen-chih

Abstract:

Cities face environmental challenges, including over-urbanization issues, air and water quality issues, lack of green space, excess heat capture, polluted storm water runoff and lack of ecological biodiversity. The vertical farming holds the condition of technology addressing these issues by enabling more food to be produced with finite less resources use and space. Most of the existing research regarding to technology Industry of agriculture between plant factory and vertical greening, which with high costs and high-technology. Relative research developed a sustainable model for construction and operation of the vertical farm in urban housing which aims to revolutionize our daily life of food production and urban development. However, those researches focused on quantitative analysis. This study utilized relative research for key variables of benefits of vertical farming. In the second stage, utilizes Fuzzy Delphi Method to obtain the critical factors of benefits of vertical farming using in Urban Renewal by interviewing the foregoing experts. Then, Analytic Hierarchy Process is applied to find the importance degree of each criterion as the measurable indices of the vertical farming method in urban renewal within the older city of Taichung.

Keywords: urban renewal, vertical farming, urban agriculture, benefit analysis, the older city of Taichung

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2654 Screening for Non-hallucinogenic Neuroplastogens as Drug Candidates for the Treatment of Anxiety, Depression, and Posttraumatic Stress Disorder

Authors: Jillian M. Hagel, Joseph E. Tucker, Peter J. Facchini

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With the aim of establishing a holistic approach for the treatment of central nervous system (CNS) disorders, we are pursuing a drug development program rapidly progressing through discovery and characterization phases. The drug candidates identified in this program are referred to as neuroplastogens owing to their ability to mediate neuroplasticity, which can be beneficial to patients suffering from anxiety, depression, or posttraumatic stress disorder. These and other related neuropsychiatric conditions are associated with the onset of neuronal atrophy, which is defined as a reduction in the number and/or productivity of neurons. The stimulation of neuroplasticity results in an increase in the connectivity between neurons and promotes the restoration of healthy brain function. We have synthesized a substantial catalogue of proprietary indolethylamine derivatives based on the general structures of serotonin (5-hydroxytryptamine) and psychedelic molecules such as N,N-dimethyltryptamine (DMT) and psilocin (4-hydroxy-DMT) that function as neuroplastogens. A primary objective in our screening protocol is the identification of derivatives associated with a significant reduction in hallucination, which will allow administration of the drug at a dose that induces neuroplasticity and triggers other efficacious outcomes in the treatment of targeted CNS disorders but which does not cause a psychedelic response in the patient. Both neuroplasticity and hallucination are associated with engagement of the 5HT2A receptor, requiring drug candidates differentially coupled to these two outcomes at a molecular level. We use novel and proprietary artificial intelligence algorithms to predict the mode of binding to the 5HT2A receptor, which has been shown to correlate with the hallucinogenic response. Hallucination is tested using the mouse head-twitch response model, whereas mouse marble-burying and sucrose preference assays are used to evaluate anxiolytic and anti-depressive potential. Neuroplasticity is assays using dendritic outgrowth assays and cell-based ELISA analysis. Pharmacokinetics and additional receptor-binding analyses also contribute the selection of lead candidates. A summary of the program is presented.

Keywords: neuroplastogen, non-hallucinogenic, drug development, anxiety, depression, PTSD, indolethylamine derivatives, psychedelic-inspired, 5-HT2A receptor, computational chemistry, head-twitch response behavioural model, neurite outgrowth assay

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2653 Theoretical and Computational Investigation of PCBM and PC71BM Derivatives using the DFT Method

Authors: Zair Mohammed El Amine, Chemouri Hafida, Derbal Habak Hassina

Abstract:

Organic photovoltaic cells are electronic devices that convert sunlight into electricity. To this end, the number of studies on organic photovoltaic cells (OVCs) is growing, and this trend is expected to continue. Computational studies are still needed to verify and prove the capability of CVOs, specifically the nanometer molecule PCBM, based on successful experimental results. In this paper, we present a theoretical and computational investigation of PCBM and PC71BM derivatives using the DFT method. On this basis, we employ independent and time-dependent density theories. HOMO, LUMO and GAPH-L energies, ionization potentials and electronic affinity are determined and found to be in agreement with experiments. Using DFT theory based on B3LYP and M062X methods with bases 6-31G (d,p) and 6-311G (d), calculations show that the most efficient acceptors are presented in the group of PC71BM derivatives and are in substantial agreement with experiments. The geometries of the structures are optimized by Gaussian 09.

Keywords: PCBM, P3HT, organic cell solar, DFT, TD-DFT

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2652 Iron(III)-Tosylate Doped PEDOT and PEG: A Nanoscale Conductivity Study of an Electrochemical System with Biosensing Applications

Authors: Giulio Rosati, Luciano Sappia, Rossana Madrid, Noemi Rozlòsnik

Abstract:

The addition of PEG of different molecular weights has important effects on the physical, electrical and electrochemical properties of iron(III)-tosylate doped PEDOT. This particular polymer can be easily spin coated over plastic discs, optimizing thickness and uniformity of the PEDOT-PEG films. The conductivity and morphological analysis of the hybrid PEDOT-PEG polymer by 4-point probe (4PP), 12-point probe (12PP), and conductive AFM (C-AFM) show strong effects of the PEG doping. Moreover, the conductive films kinetics at the nanoscale, in response to different bias voltages, change radically depending on the PEG molecular weight. The hybrid conductive films show also interesting electrochemical properties, making the PEDOT PEG doping appealing for biosensing applications both for EIS-based and amperometric affinity/catalytic biosensors.

Keywords: atomic force microscopy, biosensors, four-point probe, nano-films, PEDOT

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2651 Experiments on Residual Compressive Strength After Fatigue of Carbon Fiber Fabric Composites in Hydrothermal Environment

Authors: Xuan Sun, Mingbo Tong

Abstract:

In order to study the effect of hydrothermal environment on the fatigue properties of carbon fiber fabric composites, the experiments on fatigue and residual compressive strength with the center-hole laminates were carried out. For the experiments on fatigue in hydrothermal environment, an environmental chamber used for hydrothermal environment was designed, and the FLUENT was used to simulate the field of temperature in the environmental chamber, it proved that the design met the test requirements. In accordance with ASTM standard, the fatigue test fixture and compression test fixture were designed and produced. Then the tension-compression fatigue tests were carried out in conditions of standard environment (temperature of 23+2℃, relative humidity of 50+/-5%RH) and hydrothermal environment (temperature of 70 +2℃, relative humidity of 85+/-5%RH). After that, the residual compressive strength tests were carried out, respectively. The residual compressive strength after fatigue in condition of standard environment was set as a reference value, compared with the value in condition of hydrothermal environment, calculating the difference between them. According to the result of residual compressive strength tests, it shows that the residual compressive strength after fatigue in condition of hydrothermal environment was decreased by 13.5%,so the hydrothermal environment has little effect on the residual compressive strength of carbon fiber fabric composites laminates after fatigue under load spectrum in this research.

Keywords: carbon fiber, hydrothermal environment, fatigue, residual compressive strength

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2650 Phytochemical, Antioxidant and Antimicrobial Properties of Zinc Oxide Nanocomposites (ZnONCs) on Multidrug-Resistant E. Coli Enzyme: In-vitro and in-silico Studies

Authors: Callistus I. Iheme, Kenneth E. Asika, Emmanuel I. Ugwor, Chukwuka U. Ogbonna, Ugonna H. Uzoka, Nneamaka A. Chiegboka, Chinwe S. Alisi, Obinna S. Nwabueze, Amanda U. Ezirim, Judeanthony N. Ogbulie

Abstract:

Antimicrobial resistance (AMR) is a major threat to the global health sector. Zinc oxide nanocomposites (ZnONCs), composed of zinc oxide nanoparticles and phytochemicals from Azadirachta indica aqueous leaf extract, were assessed for their physico-chemicals, antioxidant, in silico, and in vitro antimicrobial properties on multidrug-resistant Escherichia coli enzymes. Gas chromatography coupled with mass spectroscope (GC-MS) analysis on the ZnONCs revealed the presence of twenty volatile phytochemical compounds, among which is scoparone. Characterization of the ZnONCs was done using Ultraviolet-visible spectroscopy (UV-vis), energy dispersive spectroscopy (EDX), transmission electron microscopy (TEM), scanning electron microscopy (SEM), and x-ray diffractometer (XRD). The results showed arrays of ZnONCs nanorods with maximal absorption wavelengths of 320 nm and 350 nm and thermally stable at the temperature range of 423.77 to 889.69 ℃. In vitro, the study assessed the dehydrogenase inhibitory properties of the ZnONCs, a conjugate of ZnONCs and ampicillin (ZnONCs-amp), the aqueous leaf extract of A. indica, and ampicillin (standard drug). The findings revealed that at the concentration of 500 μm/mL, 57.89 % of the enzyme activities were inhibited by ZnONCs compared to 33.33 % and 21.05 % of the standard drug (Ampicillin), and the aqueous leaf extract of the A. indica respectively. The inhibition of the enzyme activities by the ZnONCs at 500 μm/mL was further enhanced to 89.74 % by conjugating with Ampicillin. In silico study on the ZnONCs revealed scoparone as the most viable competitor of nicotinamide adenine dinucleotide (NAD+) for the coenzyme binding pocket on E. coli malate and histidinol dehydrogenase. The antioxidant analysis using DPPH indicated that ZnONCs exhibited lower reducing power when compared to the standard (garlic acid). From the findings, it can be concluded that the scoparone components of the nanocomposites in synergy with the zinc oxide nanoparticles inhibited E. coli malate and histidine dehydrogenase by competitively binding to the NAD+ pocket and that the conjugation of the ZnONCs with ampicillin further enhanced the antimicrobial efficiency of the nanocomposite against multidrug-resistant E. coli.

Keywords: antimicrobial resistance (AMR), dehydrogenase activities, E. coli, zinc oxide nanocomposites

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2649 A Computational Investigation of Potential Drugs for Cholesterol Regulation to Treat Alzheimer’s Disease

Authors: Marina Passero, Tianhua Zhai, Zuyi (Jacky) Huang

Abstract:

Alzheimer’s disease has become a major public health issue, as indicated by the increasing populations of Americans living with Alzheimer’s disease. After decades of extensive research in Alzheimer’s disease, only seven drugs have been approved by Food and Drug Administration (FDA) to treat Alzheimer’s disease. Five of these drugs were designed to treat the dementia symptoms, and only two drugs (i.e., Aducanumab and Lecanemab) target the progression of Alzheimer’s disease, especially the accumulation of amyloid-b plaques. However, controversial comments were raised for the accelerated approvals of either Aducanumab or Lecanemab, especially with concerns on safety and side effects of these two drugs. There is still an urgent need for further drug discovery to target the biological processes involved in the progression of Alzheimer’s disease. Excessive cholesterol has been found to accumulate in the brain of those with Alzheimer’s disease. Cholesterol can be synthesized in both the blood and the brain, but the majority of biosynthesis in the adult brain takes place in astrocytes and is then transported to the neurons via ApoE. The blood brain barrier separates cholesterol metabolism in the brain from the rest of the body. Various proteins contribute to the metabolism of cholesterol in the brain, which offer potential targets for Alzheimer’s treatment. In the astrocytes, SREBP cleavage-activating protein (SCAP) binds to Sterol Regulatory Element-binding Protein 2 (SREBP2) in order to transport the complex from the endoplasmic reticulum to the Golgi apparatus. Cholesterol is secreted out of the astrocytes by ATP-Binding Cassette A1 (ABCA1) transporter. Lipoprotein receptors such as triggering receptor expressed on myeloid cells 2 (TREM2) internalize cholesterol into the microglia, while lipoprotein receptors such as Low-density lipoprotein receptor-related protein 1 (LRP1) internalize cholesterol into the neuron. Cytochrome P450 Family 46 Subfamily A Member 1 (CYP46A1) converts excess cholesterol to 24S-hydroxycholesterol (24S-OHC). Cholesterol has been approved for its direct effect on the production of amyloid-beta and tau proteins. The addition of cholesterol to the brain promotes the activity of beta-site amyloid precursor protein cleaving enzyme 1 (BACE1), secretase, and amyloid precursor protein (APP), which all aid in amyloid-beta production. The reduction of cholesterol esters in the brain have been found to reduce phosphorylated tau levels in mice. In this work, a computational pipeline was developed to identify the protein targets involved in cholesterol regulation in brain and further to identify chemical compounds as the inhibitors of a selected protein target. Since extensive evidence shows the strong correlation between brain cholesterol regulation and Alzheimer’s disease, a detailed literature review on genes or pathways related to the brain cholesterol synthesis and regulation was first conducted in this work. An interaction network was then built for those genes so that the top gene targets were identified. The involvement of these genes in Alzheimer’s disease progression was discussed, which was followed by the investigation of existing clinical trials for those targets. A ligand-protein docking program was finally developed to screen 1.5 million chemical compounds for the selected protein target. A machine learning program was developed to evaluate and predict the binding interaction between chemical compounds and the protein target. The results from this work pave the way for further drug discovery to regulate brain cholesterol to combat Alzheimer’s disease.

Keywords: Alzheimer’s disease, drug discovery, ligand-protein docking, gene-network analysis, cholesterol regulation

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2648 Improving the Dimensional Stability of Medium-Density Fiberboard with Bio-Based Additives

Authors: Reza Hosseinpourpia, Stergios Adamopoulos, Carsten Mai

Abstract:

Medium density fiberboard (MDF) is a common category of wood-based panels that are widely used in the furniture industry. Fine lignocellulosic fibres are combined with a synthetic resin, mostly urea formaldehyde (UF), and joined together under heat and pressure to form panels. Like solid wood, MDF is a hygroscopic material; therefore, its moisture content depends on the surrounding relative humidity and temperature. In addition, UF is a hydrophilic resin and susceptible to hydrolysis under certain conditions of elevated temperatures and humidity, which cause dimensional instability of the panels. The latter directly affect the performance of final products such as furniture, when they are used in situations of high relative humidity. Existing water-repellent formulations, such as paraffin, present limitations related to their non-renewable nature, cost and highest allowed added amount. Therefore, the aim of the present study was to test the suitability of renewable water repellents as alternative chemicals for enhancing the dimensional stability of MDF panels. A small amount of tall oil based formulations were used as water-repellent agents in the manufacturing of laboratory scale MDF. The effects on dimensional stability, internal bond strength and formaldehyde release of MDF were tested. The results indicated a good potential of tall oil as a bio-based substance of water repellent formulations for improving the dimensional stability of MDF.

Keywords: dimensional stability, medium density fiberboard, tall oil, urea formaldehyde

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2647 Personalized Email Marketing Strategy: A Reinforcement Learning Approach

Authors: Lei Zhang, Tingting Xu, Jun He, Zhenyu Yan

Abstract:

Email marketing is one of the most important segments of online marketing. It has been proved to be the most effective way to acquire and retain customers. The email content is vital to customers. Different customers may have different familiarity with a product, so a successful marketing strategy must personalize email content based on individual customers’ product affinity. In this study, we build our personalized email marketing strategy with three types of emails: nurture, promotion, and conversion. Each type of email has a different influence on customers. We investigate this difference by analyzing customers’ open rates, click rates and opt-out rates. Feature importance from response models is also analyzed. The goal of the marketing strategy is to improve the click rate on conversion-type emails. To build the personalized strategy, we formulate the problem as a reinforcement learning problem and adopt a Q-learning algorithm with variations. The simulation results show that our model-based strategy outperforms the current marketer’s strategy.

Keywords: email marketing, email content, reinforcement learning, machine learning, Q-learning

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2646 A Second Spark Ignition Timing for the High Power Aircraft Radial Engine Using a CFD Transient Modeling

Authors: Tytus Tulwin, Adam Majczak

Abstract:

In aviation most important systems that impact the aircraft flight safety are duplicated. The ASz-62IR aircraft radial engine consists of two spark plugs powered by two separate magnetos. The relative difference in spark timing has an influence on the combustion process. The retardation of the second spark relative to the first spark was analyzed. The CFD simulation was developed as a multicycle transient model. Two independent spark sources imitate two flame fronts after an ignition period. It makes the combustion process shorter but only for certain range of second spark retardation. The model was validated by the in-cylinder pressure comparison. Combustion parameters were analyzed for different second spark retardation values. It was found that the most advantageous ignition timing in means of performance is simultaneous ignition. Nevertheless, for this engine the ignition time of the second spark plug is greatly retarded eliminating the advantageous performance influence. The reason behind this is maintaining high ignition certainty for all engine running conditions and for whole operating rpm range. In aviation the engine reliability is more important than its performance. Introducing electronic ignition system can yield from simultaneous ignition timing by increasing the engine performance and providing good reliability for all flight conditions. This work has been financed by the Polish National Centre for Research and Development, INNOLOT, under Grant Agreement No. INNOLOT/I/1/NCBR/2013.

Keywords: CFD, combustion, ignition, simulation, timing

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2645 High Accuracy Analytic Approximation for Special Functions Applied to Bessel Functions J₀(x) and Its Zeros

Authors: Fernando Maass, Pablo Martin, Jorge Olivares

Abstract:

The Bessel function J₀(x) is very important in Electrodynamics and Physics, as well as its zeros. In this work, a method to obtain high accuracy approximation is presented through an application to that function. In most of the applications of this function, the values of the zeros are very important. In this work, analytic approximations for this function have been obtained valid for all positive values of the variable x, which have high accuracy for the function as well as for the zeros. The approximation is determined by the simultaneous used of the power series and asymptotic expansion. The structure of the approximation is a combination of two rational functions with elementary functions as trigonometric and fractional powers. Here us in Pade method, rational functions are used, but now there combined with elementary functions us fractional powers hyperbolic or trigonometric functions, and others. The reason of this is that now power series of the exact function are used, but together with the asymptotic expansion, which usually includes fractional powers trigonometric functions and other type of elementary functions. The approximation must be a bridge between both expansions, and this can not be accomplished using only with rational functions. In the simplest approximation using 4 parameters the maximum absolute error is less than 0.006 at x ∼ 4.9. In this case also the maximum relative error for the zeros is less than 0.003 which is for the second zero, but that value decreases rapidly for the other zeros. The same kind of behaviour happens for the relative error of the maximum and minimum of the functions. Approximations with higher accuracy and more parameters will be also shown. All the approximations are valid for any positive value of x, and they can be calculated easily.

Keywords: analytic approximations, asymptotic approximations, Bessel functions, quasirational approximations

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2644 Monthly Labor Forces Surveys Portray Smooth Labor Markets and Bias Fixed Effects Estimation: Evidence from Israel’s Transition from Quarterly to Monthly Surveys

Authors: Haggay Etkes

Abstract:

This study provides evidence for the impact of monthly interviews conducted for the Israeli Labor Force Surveys (LFSs) on estimated flows between labor force (LF) statuses and on coefficients in fixed-effects estimations. The study uses the natural experiment of parallel interviews for the quarterly and the monthly LFSs in Israel in 2011 for demonstrating that the Labor Force Participation (LFP) rate of Jewish persons who participated in the monthly LFS increased between interviews, while in the quarterly LFS it decreased. Interestingly, the estimated impact on the LFP rate of self-reporting individuals is 2.6–3.5 percentage points while the impact on the LFP rate of individuals whose data was reported by another member of their household (a proxy), is lower and statistically insignificant. The relative increase of the LFP rate in the monthly survey is a result of a lower rate of exit from the LF and a somewhat higher rate of entry into the LF relative to these flows in the quarterly survey. These differing flows have a bearing on labor search models as the monthly survey portrays a labor market with less friction and a “steady state” LFP rate that is 5.9 percentage points higher than the quarterly survey. The study also demonstrates that monthly interviews affect a specific group (45–64 year-olds); thus the sign of coefficient of age as an explanatory variable in fixed-effects regressions on LFP is negative in the monthly survey and positive in the quarterly survey.

Keywords: measurement error, surveys, search, LFSs

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2643 Supersonic Flow around a Dihedral Airfoil: Modeling and Experimentation Investigation

Authors: A. Naamane, M. Hasnaoui

Abstract:

Numerical modeling of fluid flows, whether compressible or incompressible, laminar or turbulent presents a considerable contribution in the scientific and industrial fields. However, the development of an approximate model of a supersonic flow requires the introduction of specific and more precise techniques and methods. For this purpose, the object of this paper is modeling a supersonic flow of inviscid fluid around a dihedral airfoil. Based on the thin airfoils theory and the non-dimensional stationary Steichen equation of a two-dimensional supersonic flow in isentropic evolution, we obtained a solution for the downstream velocity potential of the oblique shock at the second order of relative thickness that characterizes a perturbation parameter. This result has been dealt with by the asymptotic analysis and characteristics method. In order to validate our model, the results are discussed in comparison with theoretical and experimental results. Indeed, firstly, the comparison of the results of our model has shown that they are quantitatively acceptable compared to the existing theoretical results. Finally, an experimental study was conducted using the AF300 supersonic wind tunnel. In this experiment, we have considered the incident upstream Mach number over a symmetrical dihedral airfoil wing. The comparison of the different Mach number downstream results of our model with those of the existing theoretical data (relative margin between 0.07% and 4%) and with experimental results (concordance for a deflection angle between 1° and 11°) support the validation of our model with accuracy.

Keywords: asymptotic modelling, dihedral airfoil, supersonic flow, supersonic wind tunnel

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2642 The Seller’s Sense: Buying-Selling Perspective Affects the Sensitivity to Expected-Value Differences

Authors: Taher Abofol, Eldad Yechiam, Thorsten Pachur

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In four studies, we examined whether seller and buyers differ not only in subjective price levels for objects (i.e., the endowment effect) but also in their relative accuracy given objects varying in expected value. If, as has been proposed, sellers stand to accrue a more substantial loss than buyers do, then their pricing decisions should be more sensitive to expected-value differences between objects. This is implied by loss aversion due to the steeper slope of prospect theory’s value function for losses than for gains, as well as by loss attention account, which posits that losses increase the attention invested in a task. Both accounts suggest that losses increased sensitivity to relative values of different objects, which should result in better alignment of pricing decisions to the objective value of objects on the part of sellers. Under loss attention, this characteristic should only emerge under certain boundary conditions. In Study 1 a published dataset was reanalyzed, in which 152 participants indicated buying or selling prices for monetary lotteries with different expected values. Relative EV sensitivity was calculated for participants as the Spearman rank correlation between their pricing decisions for each of the lotteries and the lotteries' expected values. An ANOVA revealed a main effect of perspective (sellers versus buyers), F(1,150) = 85.3, p < .0001 with greater EV sensitivity for sellers. Study 2 examined the prediction (implied by loss attention) that the positive effect of losses on performance emerges particularly under conditions of time constraints. A published dataset was reanalyzed, where 84 participants were asked to provide selling and buying prices for monetary lotteries in three deliberations time conditions (5, 10, 15 seconds). As in Study 1, an ANOVA revealed greater EV sensitivity for sellers than for buyers, F(1,82) = 9.34, p = .003. Importantly, there was also an interaction of perspective by deliberation time. Post-hoc tests revealed that there were main effects of perspective both in the condition with 5s deliberation time, and in the condition with 10s deliberation time, but not in the 15s condition. Thus, sellers’ EV-sensitivity advantage disappeared with extended deliberation. Study 3 replicated the design of study 1 but administered the task three times to test if the effect decays with repeated presentation. The results showed that the difference between buyers and sellers’ EV sensitivity was replicated in repeated task presentations. Study 4 examined the loss attention prediction that EV-sensitivity differences can be eliminated by manipulations that reduce the differential attention investment of sellers and buyers. This was carried out by randomly mixing selling and buying trials for each participant. The results revealed no differences in EV sensitivity between selling and buying trials. The pattern of results is consistent with an attentional resource-based account of the differences between sellers and buyers. Thus, asking people to price, an object from a seller's perspective rather than the buyer's improves the relative accuracy of pricing decisions; subtle changes in the framing of one’s perspective in a trading negotiation may improve price accuracy.

Keywords: decision making, endowment effect, pricing, loss aversion, loss attention

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2641 Frustration Measure for Dipolar Spin Ice and Spin Glass

Authors: Konstantin Nefedev, Petr Andriushchenko

Abstract:

Usually under the frustrated magnetics, it understands such materials, in which ones the interaction between located magnetic moments or spins has competing character, and can not to be satisfied simultaneously. The most well-known and simplest example of the frustrated system is antiferromagnetic Ising model on the triangle. Physically, the existence of frustrations means, that one cannot select all three pairs of spins anti-parallel in the basic unit of the triangle. In physics of the interacting particle systems, the vector models are used, which are constructed on the base of the pair-interaction law. Each pair interaction energy between one-component vectors can take two opposite in sign values, excluding the case of zero. Mathematically, the existence of frustrations in system means that it is impossible to have all negative energies of pair interactions in the Hamiltonian even in the ground state (lowest energy). In fact, the frustration is the excitation, which leaves in system, when thermodynamics does not work, i.e. at the temperature absolute zero. The origin of the frustration is the presence at least of one ''unsatisfied'' pair of interacted spins (magnetic moments). The minimal relative quantity of these excitations (relative quantity of frustrations in ground state) can be used as parameter of frustration. If the energy of the ground state is Egs, and summary energy of all energy of pair interactions taken with a positive sign is Emax, that proposed frustration parameter pf takes values from the interval [0,1] and it is defined as pf=(Egs+Emax)/2Emax. For antiferromagnetic Ising model on the triangle pf=1/3. We calculated the parameters of frustration in thermodynamic limit for different 2D periodical structures of Ising dipoles, which were on the ribs of the lattice and interact by means of the long-range dipolar interaction. For the honeycomb lattice pf=0.3415, triangular - pf=0.2468, kagome - pf=0.1644. All dependencies of frustration parameter from 1/N obey to the linear law. The given frustration parameter allows to consider the thermodynamics of all magnetic systems from united point of view and to compare the different lattice systems of interacting particle in the frame of vector models. This parameter can be the fundamental characteristic of frustrated systems. It has no dependence from temperature and thermodynamic states, in which ones the system can be found, such as spin ice, spin glass, spin liquid or even spin snow. It shows us the minimal relative quantity of excitations, which ones can exist in system at T=0.

Keywords: frustrations, parameter of order, statistical physics, magnetism

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