Search results for: effects of relative humidity on heat pumps
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 15315

Search results for: effects of relative humidity on heat pumps

11625 Algorithm Development of Individual Lumped Parameter Modelling for Blood Circulatory System: An Optimization Study

Authors: Bao Li, Aike Qiao, Gaoyang Li, Youjun Liu

Abstract:

Background: Lumped parameter model (LPM) is a common numerical model for hemodynamic calculation. LPM uses circuit elements to simulate the human blood circulatory system. Physiological indicators and characteristics can be acquired through the model. However, due to the different physiological indicators of each individual, parameters in LPM should be personalized in order for convincing calculated results, which can reflect the individual physiological information. This study aimed to develop an automatic and effective optimization method to personalize the parameters in LPM of the blood circulatory system, which is of great significance to the numerical simulation of individual hemodynamics. Methods: A closed-loop LPM of the human blood circulatory system that is applicable for most persons were established based on the anatomical structures and physiological parameters. The patient-specific physiological data of 5 volunteers were non-invasively collected as personalized objectives of individual LPM. In this study, the blood pressure and flow rate of heart, brain, and limbs were the main concerns. The collected systolic blood pressure, diastolic blood pressure, cardiac output, and heart rate were set as objective data, and the waveforms of carotid artery flow and ankle pressure were set as objective waveforms. Aiming at the collected data and waveforms, sensitivity analysis of each parameter in LPM was conducted to determine the sensitive parameters that have an obvious influence on the objectives. Simulated annealing was adopted to iteratively optimize the sensitive parameters, and the objective function during optimization was the root mean square error between the collected waveforms and data and simulated waveforms and data. Each parameter in LPM was optimized 500 times. Results: In this study, the sensitive parameters in LPM were optimized according to the collected data of 5 individuals. Results show a slight error between collected and simulated data. The average relative root mean square error of all optimization objectives of 5 samples were 2.21%, 3.59%, 4.75%, 4.24%, and 3.56%, respectively. Conclusions: Slight error demonstrated good effects of optimization. The individual modeling algorithm developed in this study can effectively achieve the individualization of LPM for the blood circulatory system. LPM with individual parameters can output the individual physiological indicators after optimization, which are applicable for the numerical simulation of patient-specific hemodynamics.

Keywords: blood circulatory system, individual physiological indicators, lumped parameter model, optimization algorithm

Procedia PDF Downloads 139
11624 Efficacy and Mechanisms of Acupuncture for Depression: A Meta-Analysis of Clinical and Preclinical Evidence

Authors: Yimeng Zhang

Abstract:

Major depressive disorder (MDD) is a prevalent mental health condition with a substantial economic impact and limited treatment options. Acupuncture has gained attention as a promising non-pharmacological intervention for alleviating depressive symptoms. However, its mechanisms and clinical effectiveness remain incompletely understood. This meta-analysis aims to (1) synthesize existing evidence on the mechanisms and clinical effectiveness of acupuncture for depression and (2) compare these findings with pharmacological interventions, providing insights for future research. Evidence from animal models and clinical studies indicates that acupuncture may enhance hippocampal and network neuroplasticity and reduce brain inflammation, potentially alleviating depressive disorders. Clinical studies suggest that acupuncture can effectively relieve primary depression, particularly in milder cases, and is beneficial in managing post-stroke depression, pain-related depression, and postpartum depression, both as a standalone and adjunctive treatment. Notably, combining acupuncture with antidepressant pharmacotherapy appears to enhance treatment outcomes and reduce medication side effects, addressing a critical issue in conventional drug therapy's high dropout rates. This meta-analysis, encompassing 12 studies and 710 participants, draws data from eight digital databases (PubMed, EMBASE, Web of Science, EBSCOhost, CNKI, CBM, Wangfang, and CQVIP) covering the period from 2012 to 2022. Utilizing Stata software 15.0, the meta-analysis employed random-effects and fixed-effects models to assess the distribution of depression in Traditional Chinese Medicine (TCM). The results underscore the substantial evidence supporting acupuncture's beneficial effects on depression. However, the small sample sizes of many clinical trials raise concerns about the generalizability of the findings, indicating a need for further research to validate these outcomes and optimize acupuncture's role in treating depression.

Keywords: Chinese medicine, acupuncture, depression, meta-analysis

Procedia PDF Downloads 37
11623 Comparison of Different Extraction Methods for the Determination of Polyphenols

Authors: Senem Suna

Abstract:

Extraction of bioactive compounds from several food/food products comes as an important topic and new trend related with health promoting effects. As a result of the increasing interest in natural foods, different methods are used for the acquisition of these components especially polyphenols. However, special attention has to be paid to the selection of proper techniques or several processing technologies (supercritical fluid extraction, microwave-assisted extraction, ultrasound-assisted extraction, powdered extracts production) for each kind of food to get maximum benefit as well as the obtainment of phenolic compounds. In order to meet consumer’s demand for healthy food and the management of quality and safety requirements, advanced research and development are needed. In this review, advantages, and disadvantages of different extraction methods, their opportunities to be used in food industry and the effects of polyphenols are mentioned in details. Consequently, with the evaluation of the results of several studies, the selection of the most suitable food specific method was aimed.

Keywords: bioactives, extraction, powdered extracts, supercritical fluid extraction

Procedia PDF Downloads 242
11622 Utilising Indigenous Knowledge to Design Dykes in Malawi

Authors: Martin Kleynhans, Margot Soler, Gavin Quibell

Abstract:

Malawi is one of the world’s poorest nations and consequently, the design of flood risk management infrastructure comes with a different set of challenges. There is a lack of good quality hydromet data, both in spatial terms and in the quality thereof and the challenge in the design of flood risk management infrastructure is compounded by the fact that maintenance is almost completely non-existent and that solutions have to be simple to be effective. Solutions should not require any further resources to remain functional after completion, and they should be resilient. They also have to be cost effective. The Lower Shire Valley of Malawi suffers from frequent flood events. Various flood risk management interventions have been designed across the valley during the course of the Shire River Basin Management Project – Phase I, and due to the data poor environment, indigenous knowledge was relied upon to a great extent for hydrological and hydraulic model calibration and verification. However, indigenous knowledge comes with the caveat that it is ‘fuzzy’ and that it can be manipulated for political reasons. The experience in the Lower Shire valley suggests that indigenous knowledge is unlikely to invent a problem where none exists, but that flood depths and extents may be exaggerated to secure prioritization of the intervention. Indigenous knowledge relies on the memory of a community and cannot foresee events that exceed past experience, that could occur differently to those that have occurred in the past, or where flood management interventions change the flow regime. This complicates communication of planned interventions to local inhabitants. Indigenous knowledge is, for the most part, intuitive, but flooding can sometimes be counter intuitive, and the rural poor may have a lower trust of technology. Due to a near complete lack of maintenance of infrastructure, infrastructure has to be designed with no moving parts and no requirement for energy inputs. This precludes pumps, valves, flap gates and sophisticated warning systems. Designs of dykes during this project included ‘flood warning spillways’, that double up as pedestrian and animal crossing points, which provide warning of impending dangerous water levels behind dykes to residents before water levels that could cause a possible dyke failure are reached. Locally available materials and erosion protection using vegetation were used wherever possible to keep costs down.

Keywords: design of dykes in low-income countries, flood warning spillways, indigenous knowledge, Malawi

Procedia PDF Downloads 286
11621 Explosive Clad Metals for Geothermal Energy Recovery

Authors: Heather Mroz

Abstract:

Geothermal fluids can provide a nearly unlimited source of renewable energy but are often highly corrosive due to dissolved carbon dioxide (CO2), hydrogen sulphide (H2S), Ammonia (NH3) and chloride ions. The corrosive environment drives material selection for many components, including piping, heat exchangers and pressure vessels, to higher alloys of stainless steel, nickel-based alloys and titanium. The use of these alloys is cost-prohibitive and does not offer the pressure rating of carbon steel. One solution, explosion cladding, has been proven to reduce the capital cost of the geothermal equipment while retaining the mechanical and corrosion properties of both the base metal and the cladded surface metal. Explosion cladding is a solid-state welding process that uses precision explosions to bond two dissimilar metals while retaining the mechanical, electrical and corrosion properties. The process is commonly used to clad steel with a thin layer of corrosion-resistant alloy metal, such as stainless steel, brass, nickel, silver, titanium, or zirconium. Additionally, explosion welding can join a wider array of compatible and non-compatible metals with more than 260 metal combinations possible. The explosion weld is achieved in milliseconds; therefore, no bulk heating occurs, and the metals experience no dilution. By adhering to a strict set of manufacturing requirements, both the shear strength and tensile strength of the bond will exceed the strength of the weaker metal, ensuring the reliability of the bond. For over 50 years, explosion cladding has been used in the oil and gas and chemical processing industries and has provided significant economic benefit in reduced maintenance and lower capital costs over solid construction. The focus of this paper will be on the many benefits of the use of explosion clad in process equipment instead of more expensive solid alloy construction. The method of clad-plate production with explosion welding as well as the methods employed to ensure sound bonding of the metals. It will also include the origins of explosion cladding as well as recent technological developments. Traditionally explosion clad plate was formed into vessels, tube sheets and heads but recent advances include explosion welded piping. The final portion of the paper will give examples of the use of explosion-clad metals in geothermal energy recovery. The classes of materials used for geothermal brine will be discussed, including stainless steels, nickel alloys and titanium. These examples will include heat exchangers (tube sheets), high pressure and horizontal separators, standard pressure crystallizers, piping and well casings. It is important to educate engineers and designers on material options as they develop equipment for geothermal resources. Explosion cladding is a niche technology that can be successful in many situations, like geothermal energy recovery, where high temperature, high pressure and corrosive environments are typical. Applications for explosion clad metals include vessel and heat exchanger components as well as piping.

Keywords: clad metal, explosion welding, separator material, well casing material, piping material

Procedia PDF Downloads 157
11620 Anti-Melanogenesis and Anti-Inflammatory Effects of Opuntia humifusa

Authors: Yonghwa Lee, Yoon Suk Kim, Yongsub Yi

Abstract:

This study was to confirm the effects of anti-melanogenesis and anti-inflammatory effects from Opuntia humifusa fruit and stem extracts. A potent anti-oxidant activity was shown from the leaf extract at IC50 value of 38.33±1.07 μg/mL and fruit extract at IC50 value of 40.23±2.21 μg/mL by 1,1-diphenyl-2-picrylhydrazyl (DPPH) assay. Also, phenolic contents were confirmed total phenolic assay by high performance liquid chromatography (HPLC). Fraction of taxifolin from leaf extract was identified using HPLC and gas chromatography/mass spectrometry. The extracts of Opuntia humifusa fruit and stem were confirmed about toxicity effect in B16 F1 by cell viability. Melanin contents were decreased. Opuntia humifusa fruit and stem extracts had a positive effect of melanin synthesis inhibition for skin whitening. In investigating the anti-inflammatory activities of Opuntia humifusa, the results of cell viability indicated that taxifolin did not show cytotoxicity on RAW264.7 cells at 500 μM of concentration. The results show that taxifolin inhibited lipopolysaccharide (LPS)-induced production of Nitrite oxide (NO). In addition, taxifolin indicated the inhibition of lipopolysaccharide (LPS)-induced tumor necrosis factor (TNF) -α and interleukin (IL) -6 productions by cytokine assay and cyclooxygenase (COX)-2 expression by western blot analysis, meaning that taxifolin had a significant anti-inflammatory effect. Our results suggested that taxifolin from Opuntia humifusa has anti-melanogenesis and anti-inflammatory activities.

Keywords: anti-melanogenesis, anti-inflammatory, Opuntia humifusa, taxifolin

Procedia PDF Downloads 315
11619 Adrenergic and Non-Adrenergic Control of Mesenteric Blood Vessels of Calves

Authors: A. Elmajdoub, A. El-Mahmoudy

Abstract:

The present study was designed to investigate the neurotransmitters that mediate the excitatory response of the circular muscle of final branches of mesenteric artery in bovine calves. Mesentery was dissected and the iliac branches were separated and used. The final mesenteric branches of diameter 400 micrometers and less responded strongly to norepinephrine and moderately to ATP. However, the mesenteric branches of wider diameters were gradually less responsive to norepinephrine and those of diameter 700 micrometers were exclusively nonresponsive. These arteries were strongly responsive to ATP (100 µM). Norepinephrine response was sensitive to phentolamine (3 µM) and prazosin (5 µM) indicating that it is mediated by α1 receptor; while ATP response was sensitive to suramin (200 µM), PPADS (50 µM), but not to cibacron blue (100 µM) indicating that it is mediated via P2X receptor. Further confirmatory experiments were performed including application of α1 and P2X receptor specific agonists which are methoxamine and α,β-methylene ATP. Methoxamine (1 µM) showed effects similar to norepinephrine in final branches and was without effect in wider branches. α,β-methylene ATP (1 µM), exhibited more pronounced effects on both wide and narrow branches but in parallel manner to that of ATP. Agonists for α2 and P2Y receptors as clonidine (10 µM) and 2-meThio ATP (10 µM), respectively, were without effect indicating that involvement of these receptors is unlikely. The neuropeptide-Y (200 nM) did not have any effects on either the narrow or the wide rings. Conclusion: These data may imply that in the most peripheral mesenteric arteries a strong vasopressor power represented by norepinephrine and ATP integration is needed for maintaining peripheral resistance; on the other hand a mild vasopressor power mediated only by ATP is enough to maintain the vascular tone in the relatively central mesenteric branches.

Keywords: ATP, calves, mesenteric artery, norepinephrine

Procedia PDF Downloads 308
11618 Short and Long Term Effects of an Attachment-Based Intervention on Child Behaviors

Authors: Claire Baudry, Jessica Pearson, Laura-Emilie Savage, George Tarbulsy

Abstract:

Over the last fifty years, maternal sensitivity and child development among vulnerable families have been a priority for researchers. For this reason, attachment-based interventions have been implemented and been shown to be effective in enhancing child development. Most of the time, child outcomes are measured shortly after the intervention. Objectives: The goal of the study was to investigate the effects of an attachment-based intervention on child development shortly after the intervention ended and one-year post-intervention. Methods: Over the seventy-two mother-child dyads referred by Child Protective Services in the province of Québec, Canada, forty-two were included in this study: 24 dyads who received 6 to 8 intervention sessions and 18 dyads who did not. Intervention and none intervention dyads were matched for the following variables: duration of child protective services, the reason for involvement with child protection, age, sex, and family status. Internalizing and externalizing behaviors were measured 3 and 12 months after the end of the intervention when the average age of children were respectively 45 and 54 months old. Findings: Independent-sample t-tests were conducted to compare scores between the two groups and the two data collection times. In general, on differences observed between the two groups three months after the intervention ended, just a few of them were still present nine months later. Conclusions: This first set of analyses suggests that the effects of attachment-based intervention observed three months following the intervention are not lasting for most of them. Those results inform us of the importance of considering the possibility to offer more attachment-based intervention sessions for those highly vulnerable families.

Keywords: attachment-based intervention, child behaviors, child protective services, highly vulnerable families

Procedia PDF Downloads 139
11617 Studying the Relationship Between Washback Effects of IELTS Test on Iranian Language Teachers, Teaching Strategies and Candidates

Authors: Afsaneh Jasmine Majidi

Abstract:

Language testing is an important part of language teaching experience and language learning process as it presents assessment strategies for teachers to evaluate the efficiency of teaching and for learners to examine their outcomes. However, language testing is demanding and challenging because it should provide the opportunity for proper and objective decision. In addition to all the efforts test designers put to design valid and reliable tests, there are some other determining factors which are even more complex and complicated. These factors affect the educational system, individuals, and society, and the impact of the tests vary according to the scope of the test. Seemingly, the impact of a simple classroom assessment is not the same as that of high stake tests such as International English Language Testing System (IELTS). As the importance of the test increases, it affects wider domain. Accordingly, the impacts of high stake tests are reflected not only in teaching, learning strategies but also in society. Testing experts use the term ‘washback’ or ‘impact’ to define the different effects of a test on teaching, learning, and community. This paper first looks at the theoretical background of ‘washback’ and ‘impact’ in language testing by reviewing of relevant literature in the field and then investigates washback effects of IELTS test of on Iranian IELTS teachers and students. The study found significant relationship between the washback effect of IELTS test and teaching strategies of Iranian IELTS teachers as well as performance of Iranian IELTS candidates and their community.

Keywords: high stake tests, IELTS, Iranian Candidates, language testing, test impact, washback

Procedia PDF Downloads 331
11616 Streamwise Vorticity in the Wake of a Sliding Bubble

Authors: R. O’Reilly Meehan, D. B. Murray

Abstract:

In many practical situations, bubbles are dispersed in a liquid phase. Understanding these complex bubbly flows is therefore a key issue for applications such as shell and tube heat exchangers, mineral flotation and oxidation in water treatment. Although a large body of work exists for bubbles rising in an unbounded medium, that of bubbles rising in constricted geometries has received less attention. The particular case of a bubble sliding underneath an inclined surface is common to two-phase flow systems. The current study intends to expand this knowledge by performing experiments to quantify the streamwise flow structures associated with a single sliding air bubble under an inclined surface in quiescent water. This is achieved by means of two-dimensional, two-component particle image velocimetry (PIV), performed with a continuous wave laser and high-speed camera. PIV vorticity fields obtained in a plane perpendicular to the sliding surface show that there is significant bulk fluid motion away from the surface. The associated momentum of the bubble means that this wake motion persists for a significant time before viscous dissipation. The magnitude and direction of the flow structures in the streamwise measurement plane are found to depend on the point on its path through which the bubble enters the plane. This entry point, represented by a phase angle, affects the nature and strength of the vortical structures. This study reconstructs the vorticity field in the wake of the bubble, converting the field at different instances in time to slices of a large-scale wake structure. This is, in essence, Taylor’s ”frozen turbulence” hypothesis. Applying this to the vorticity fields provides a pseudo three-dimensional representation from 2-D data, allowing for a more intuitive understanding of the bubble wake. This study provides insights into the complex dynamics of a situation common to many engineering applications, particularly shell and tube heat exchangers in the nucleate boiling regime.

Keywords: bubbly flow, particle image velocimetry, two-phase flow, wake structures

Procedia PDF Downloads 382
11615 Isotope Effects on Inhibitors Binding to HIV Reverse Transcriptase

Authors: Agnieszka Krzemińska, Katarzyna Świderek, Vicente Molinier, Piotr Paneth

Abstract:

In order to understand in details the interactions between ligands and the enzyme isotope effects were studied between clinically used drugs that bind in the active site of Human Immunodeficiency Virus Reverse Transcriptase, HIV-1 RT, as well as triazole-based inhibitor that binds in the allosteric pocket of this enzyme. The magnitudes and origins of the resulting binding isotope effects were analyzed. Subsequently, binding isotope effect of the same triazole-based inhibitor bound in the active site were analyzed and compared. Together, these results show differences in binding origins in two sites of the enzyme and allow to analyze binding mode and place of newly synthesized inhibitors. Typical protocol is described below on the example of triazole ligand in the allosteric pocket. Triazole was docked into allosteric cavity of HIV-1 RT with Glide using extra-precision mode as implemented in Schroedinger software. The structure of HIV-1 RT was obtained from Protein Data Bank as structure of PDB ID 2RKI. The pKa for titratable amino acids was calculated using PROPKA software, and in order to neutralize the system 15 Cl- were added using tLEaP package implemented in AMBERTools ver.1.5. Also N-terminals and C-terminals were build using tLEaP. The system was placed in 144x160x144Å3 orthorhombic box of water molecules using NAMD program. Missing parameters for triazole were obtained at the AM1 level using Antechamber software implemented in AMBERTools. The energy minimizations were carried out by means of a conjugate gradient algorithm using NAMD. Then system was heated from 0 to 300 K with temperature increment 0.001 K. Subsequently 2 ns Langevin−Verlet (NVT) MM MD simulation with AMBER force field implemented in NAMD was carried out. Periodic Boundary Conditions and cut-offs for the nonbonding interactions, range radius from 14.5 to 16 Å, are used. After 2 ns relaxation 200 ps of QM/MM MD at 300 K were simulated. The triazole was treated quantum mechanically at the AM1 level, protein was described using AMBER and water molecules were described using TIP3P, as implemented in fDynamo library. Molecules 20 Å apart from the triazole were kept frozen, with cut-offs established on range radius from 14.5 to 16 Å. In order to describe interactions between triazole and RT free energy of binding using Free Energy Perturbation method was done. The change in frequencies from ligand in solution to ligand bounded in enzyme was used to calculate binding isotope effects.

Keywords: binding isotope effects, molecular dynamics, HIV, reverse transcriptase

Procedia PDF Downloads 433
11614 Morphological Evaluation of Mesenchymal Stem Cells Derived from Adipose Tissue of Dog Treated with Different Concentrations of Nano-Hydroxy Apatite

Authors: K. Barbaro, F. Di Egidio, A. Amaddeo, G. Lupoli, S. Eramo, G. Barraco, D. Amaddeo, C. Gallottini

Abstract:

In this study, we wanted to evaluate the effects of nano-hydroxy apatite (NHA) on mesenchymal stem cells extracted from subcutaneous adipose tissue of the dog. The stem cells were divided into 6 experimental groups at different concentrations of NHA. The comparison was made with a control group of stem cell grown in standard conditions without NHA. After 1 week, the cells were fixed with 10% buffered formalin for 1 hour at room temperature and stained with Giemsa, measured at the inverted optical microscope. The morphological evaluation of the control samples and those treated showed that stem cells adhere to the substrate and proliferate in the presence of nanohydroxy apatite at different concentrations showing no detectable toxic effects.

Keywords: nano-hydroxy apatite, adipose mesenchymal stem cells, dog, morphological evaluation

Procedia PDF Downloads 476
11613 Evaluation of a Coconut Coir-based Packaging Composite Incorporated with Activated Carbon on Carabao Mango (Mangifera indica L. cv. Carabao)

Authors: Ella Mariz M. Dilloso, Kylla Mariz E. Gelaga, Elvira C. Labartine, Renz S. Bareo

Abstract:

The Philippines faces a challenge with the export range of Carabao mango (Mangifera indica L. cv. Carabao), the country’s third-most exported fruit, because of its short shelf-life. The objective was to develop a composite to extend its shelf life utilizing coconut coir (CC) as a matrix, activated carbon (AC) as an ethylene adsorbent, and carboxymethylcellulose (CMC) as a binder, prepared through the dip coating method. SEM-EDX spectroscopy showed the composite has an even coating, with alkali metal impurities. The composite was tested on mangoes stored at 28°C and 64% humidity for 7 days, assessing titratable acidity (TA), total soluble solids (TSS), pH, and weight loss. The 3:1 slurry-to-water ratio of the AC-CC composite significantly delayed mango ripening, maintaining higher TA levels (0.38 g citric acid/100g mango) after storage versus the TA level before storage (5.26 g citric acid/100g mango). TSS valuesvalues revealed a significant difference with the 3:1 AC-CC composite (14.33% Brix), compared to the control (17.87%Brix) and before storage (11.33 %Brix). The pH and average weight loss percent remained consistent across all treatments, showing acidity levels of pH 4.20–4.55 and moisture loss at 5.64%–9.03%. Overall, this novel composite showed great potential in extending the shelf life of Carabao mangoes.

Keywords: activated carbon, carabao mango, coconut coir, packaging composite

Procedia PDF Downloads 10
11612 Effects of Alternative Opportunities and Compensation on Turnover Intention of Singapore PMET

Authors: Han Guan Chew, Keith Yong Ngee Ng, Shan-Wei Fan

Abstract:

In Singapore, talent retention is one of the most persistent and real issue companies have to grapple with due to the tight labour market. Being resource-scarce, Singapore depends solely on its talented pool of high quality human resource to sustain its competitive advantage in the global economy. But the complex and multifaceted nature of turnover phenomenon makes the prescription of effective talent retention strategies in such a competitive labour market very challenging, especially when it comes to monetary incentives, companies struggle to answer the question of “How much is enough?” By examining the interactive effects of perceived alternative employment opportunities, annual salary and satisfaction with compensation on the turnover intention of 102 Singapore Professionals, Managers, Executives and Technicians (PMET) through correlation analyses and multiple regressions, important insights into the psyche of the Singapore talent pool can be drawn. It is found that annual salary influence turnover intention indirectly through mediation and moderation effects on PMET’s satisfaction on compensation. PMET are also found to be heavily swayed by better external opportunities. This implies that talent retention strategies should not adopt a purely monetary based blanket approach but rather a comprehensive and holistic one that considers the dynamics of prevailing market conditions.

Keywords: employee turnover, high performers, knowledge workers, perceived alternative employment opportunities salary, satisfaction on compensation, Singapore PMET, talent retention

Procedia PDF Downloads 285
11611 Effects from Maillard Reactions on the Alleginicity of Peanuts

Authors: Khadija Radhi

Abstract:

Food allergy is a serious public health problem, especially in developed countries. As one of the most significant allergies, peanut allergy was investigated in this research. Peanut was mixed with treacle under different heating conditions. The results of glycation analyses revealed that proteins from peanuts interacted with the carbohydrates. Further studies also indicated that Millard reactions were determined by different heating treatment. It is noted that denatured peanut proteins accelerated the first stage of Millard reactions but prevented the third one. From the ELISA results, it was found that Millard reactions between proteins with sugars had no effects on the allergenicity of peanuts. Besides, there was no significant difference in allergenicity between digested and non-digested peanut proteins. However, pre-boiled peanut with denatured proteins displayed lower allergenicity after mixing with sugars. Such results indicated that denaturation is the key factor to reduce the allergenicity of the peanut proteins and it seemed that the second-staged Maillard products had less allergenicity.

Keywords: allergenicity, heating treatment, peanut, Maillard reaction

Procedia PDF Downloads 336
11610 US Airlines Performance and Its Connection with Service Quality

Authors: Nicole Kalemba, Fernando Campa-Planas, Ana-Beatriz Hernández-Lara, Maria Victória Sánchez-Rebull

Abstract:

The purpose of this paper is to determine the effects of service quality on US airlines’ economic performance. In order to cover this goal, it has been considered four different indexes of service quality in the air transportation industry, and also two indicators of economic performance, revenues and return on investment (ROI). Data from American airline companies over a period that covers from 2006 to 2013 have been used in order to determine if airlines’ profitability increases when service quality improves. Considering the effects on airlines’ profitability, the results confirm the positive and significant influence of service quality on the ROI of the companies in our study. Meanwhile, a non-significant effect was found for airline revenues related to quality. No previous research in this area has been done and these findings could encourage airline companies to invest in quality as far as this policy can have a return on their profitability.

Keywords: airlines, economic performance, key performance indicators, quality

Procedia PDF Downloads 476
11609 Investigating the Impact of Individual Risk-Willingness and Group-Interaction Effects on Business Model Innovation Decisions

Authors: Sarah Müller-Sägebrecht

Abstract:

Today’s volatile environment challenges executives to make the right strategic decisions to gain sustainable success. Entrepreneurship scholars postulate mainly positive effects of environmental changes on entrepreneurship behavior, such as developing new business opportunities, promoting ingenuity, and the satisfaction of resource voids. A strategic solution approach to overcome threatening environmental changes and catch new business opportunities is business model innovation (BMI). Although this research stream has gained further importance in the last decade, BMI research is still insufficient. Especially BMI barriers, such as inefficient strategic decision-making processes, need to be identified. Strategic decisions strongly impact organizational future and are, therefore, usually made in groups. Although groups draw on a more extensive information base than single individuals, group-interaction effects can influence the decision-making process - in a favorable but also unfavorable way. Decisions are characterized by uncertainty and risk, whereby their intensity is perceived individually differently. Individual risk-willingness influences which option humans choose. The special nature of strategic decisions, such as in BMI processes, is that these decisions are not made individually but in groups due to their high organizational scope. These groups consist of different personalities whose individual risk-willingness can vary considerably. It is known from group decision theory that these individuals influence each other, observable in different group-interaction effects. The following research questions arise: i) Which impact has the individual risk-willingness on BMI decisions? And ii) how do group interaction effects impact BMI decisions? After conducting 26 in-depth interviews with executives from the manufacturing industry, the applied Gioia methodology reveals the following results: i) Risk-averse decision-makers have an increased need to be guided by facts. The more information available to them, the lower they perceive uncertainty and the more willing they are to pursue a specific decision option. However, the results also show that social interaction does not change the individual risk-willingness in the decision-making process. ii) Generally, it could be observed that during BMI decisions, group interaction is primarily beneficial to increase the group’s information base for making good decisions, less than for social interaction. Further, decision-makers mainly focus on information available to all decision-makers in the team but less on personal knowledge. This work contributes to strategic decision-making literature twofold. First, it gives insights into how group-interaction effects influence an organization’s strategic BMI decision-making. Second, it enriches risk-management research by highlighting how individual risk-willingness impacts organizational strategic decision-making. To date, it was known in BMI research that risk aversion would be an internal BMI barrier. However, with this study, it becomes clear that it is not risk aversion that inhibits BMI. Instead, the lack of information prevents risk-averse decision-makers from choosing a riskier option. Simultaneously, results show that risk-averse decision-makers are not easily carried away by the higher risk-willingness of their team members. Instead, they use social interaction to gather missing information. Therefore, executives need to provide sufficient information to all decision-makers to catch promising business opportunities.

Keywords: business model innovation, decision-making, group biases, group decisions, group-interaction effects, risk-willingness

Procedia PDF Downloads 98
11608 A Numerical Study of Seismic Effects on Slope Stability Using Node-Based Smooth Finite Element Method

Authors: H. C. Nguyen

Abstract:

This contribution considers seismic effects on the stability of slope and footing resting on a slope. The seismic force is simply treated as static inertial force through the values of acceleration factor. All domains are assumed to be plasticity deformations approximated using node-based smoothed finite element method (NS-FEM). The failure mechanism and safety factor were then explored using numerical procedure based on upper bound approach in which optimization problem was formed as second order cone programming (SOCP). The data obtained confirm that upper bound procedure using NS-FEM and SOCP can give stable and rapid convergence results of seismic stability factors.

Keywords: upper bound analysis, safety factor, slope stability, footing resting on slope

Procedia PDF Downloads 120
11607 Perception and Effect of Gender-Based Violence on Sustainable Development and Education of Girl-Child in Southwestern Nigeria

Authors: Afolabi Comfort Yemisi

Abstract:

Gender-based violence remains a serious threat to the growth, health, and safety of women and girls globally, including Nigeria. The rising violence of various shades of violence, especially against women and girls in the guise of cultural preservation, raised serious concerns. The challenge of this harmful gender narrative is more critical in attaining the Sustainable Development Goals and Goal 4 (Quality Education) in Nigeria. The study investigated the perception and effects of gender-based violence on sustainable development and education of the girl-child in Southwestern Nigeria. Primary and Secondary data were used for the study. Primary data were obtained using a structured questionnaire administered to young females in tertiary institutions, secondary schools, non-governmental organizations, and government institutions dealing with gender-based violence in the study area, while the secondary data were sourced from journals, books and dailies. A multistage random sampling technique was employed to select a sample of 360 respondents who completed the questionnaire for the study. Descriptive statistics and regression analysis were applied to the data collected. The result revealed a high prevalence of gender-based violence, and it was perceived to be culturally motivated. Sexual violence, sexual harassment and psychological violence were the significant forms of gender-based violence that adversely affected the Sustainable Development Goal 4. The result further revealed that loss of concentration, shame and depression, school drop-out, poor academic performance and inferiority complex were the major effects of gender-based violence on the education of girl-child in the study area. The study recommended that to avert catastrophic damages and adverse effects of gender-based violence on the girl-child, there is a need for thorough awareness and sensitization programmes to build their resilience. Also, enforcement of established laws against gender-based violence by both government and non-governmental institutions is sacrosanct.

Keywords: perception, effects, gender-based violence, sustainable development, education, girl-child, sensitisation

Procedia PDF Downloads 17
11606 A Horn Antenna Loaded with SIW FSS of Crossed Dipoles

Authors: Ibrahim Mostafa El-Mongy, Abdelmegid Allam

Abstract:

In this article analysis and investigation of the effect of loading a horn antenna with substrate integrated waveguide frequency selective surface (SIW FSS) of crossed dipoles of finite size is presented. It is fabricated on Rogers RO4350 (lossy) of relative permittivity 3.33, thickness 1.524mm and loss tangent 0.004. This structure is called a filtering antenna (filtenna). Basically it is applied for filtering and minimizing the interference and noise in the desired band. The filtration is carried out using a finite SIW FSS of crossed dipoles of overall dimensions 98x58 mm2. The filtration is shown by limiting the transmission bandwidth from 4 GHz (8–12 GHz) to 0.3 GHz (0.955–0.985 GHz). It is simulated using CST MWS and measured using network analyzer. There is a good agreement between the simulated and measured results.

Keywords: antenna, filtenna, frequency-selective surface (FSS), horn antennas

Procedia PDF Downloads 289
11605 Use of SUDOKU Design to Assess the Implications of the Block Size and Testing Order on Efficiency and Precision of Dulce De Leche Preference Estimation

Authors: Jéssica Ferreira Rodrigues, Júlio Silvio De Sousa Bueno Filho, Vanessa Rios De Souza, Ana Carla Marques Pinheiro

Abstract:

This study aimed to evaluate the implications of the block size and testing order on efficiency and precision of preference estimation for Dulce de leche samples. Efficiency was defined as the inverse of the average variance of pairwise comparisons among treatments. Precision was defined as the inverse of the variance of treatment means (or effects) estimates. The experiment was originally designed to test 16 treatments as a series of 8 Sudoku 16x16 designs being 4 randomized independently and 4 others in the reverse order, to yield balance in testing order. Linear mixed models were assigned to the whole experiment with 112 testers and all their grades, as well as their partially balanced subgroups, namely: a) experiment with the four initial EU; b) experiment with EU 5 to 8; c) experiment with EU 9 to 12; and b) experiment with EU 13 to 16. To record responses we used a nine-point hedonic scale, it was assumed a mixed linear model analysis with random tester and treatments effects and with fixed test order effect. Analysis of a cumulative random effects probit link model was very similar, with essentially no different conclusions and for simplicity, we present the results using Gaussian assumption. R-CRAN library lme4 and its function lmer (Fit Linear Mixed-Effects Models) was used for the mixed models and libraries Bayesthresh (default Gaussian threshold function) and ordinal with the function clmm (Cumulative Link Mixed Model) was used to check Bayesian analysis of threshold models and cumulative link probit models. It was noted that the number of samples tested in the same session can influence the acceptance level, underestimating the acceptance. However, proving a large number of samples can help to improve the samples discrimination.

Keywords: acceptance, block size, mixed linear model, testing order, testing order

Procedia PDF Downloads 324
11604 Making Sense of Cyber Pornography among Young Adult Couples

Authors: Marianne Lumacang, Jessarine Dultra, Joana Fenol

Abstract:

Filipinos are known to be conservative, sex or pornography is not discussed openly in the Philippines, topic of sex, when raised, will most likely elicit snickers, jokes, and blushes in most Filipino or expressions of disgust. However, a lot of Filipinos are still engaging into this kind of activity for some reasons. The study aims to determine young adult’s point of view about cyber pornography viewing, as well as their reasons for engagement, and its effects on them and their relationship with their partner. Interpretative Phenomenological Analysis was used to explore how young adults make sense of cyber pornography viewing. The study focused on Filipino young adults who are in a romantic or married relationship, engage in cyber pornography viewing, and currently residing in Cavite, Philippines. A total of four young adult couples, four females and four males participated in the study as research participants. Data gathered from a total of four young adult couples resulted to a total of nine superordinate themes focusing on (1) exploring young adult couple’s rationales for cyber pornography viewing, (2) experiences of positive effects in engaging to cyber pornography viewing, (3) experiences of negative effects in engaging to cyber pornography viewing, (4) experience of infidelity, (5) experience of necessity, (6) females perception about cyber pornography viewing towards self, (7) males perception about cyber pornography viewing towards self, (8) males perception about cyber pornography viewing towards romantic partner, and (9) males perception about cyber pornography viewing towards others.

Keywords: cyberpornography, Filipino, interpretative phenomenological analysis, making sense of cyberpornography, young adult

Procedia PDF Downloads 315
11603 Fish Scales as a Nonlethal Screening Tools for Assessing the Effects of Surface Water Contaminants in Cyprinus Carpio

Authors: Shahid Mahboob, Hafiz Muhammad Ashraf, Salma Sultana, Tayyaba Sultana, Khalid Al-Ghanim, Fahid Al-Misned, Zubair Ahmedd

Abstract:

There is an increasing need for an effective tool to estimate the risks derived from the large number of pollutants released to the environment by human activities. Typical screening procedures are highly invasive or lethal to the fish. Recent studies show that fish scales biochemically respond to a range of contaminants, including toxic metals, organic compounds, and endocrine disruptors. The present study evaluated the effects of the surface water contaminants on Cyprinus carpio in the Ravi River by comparing DNA extracted non-lethally from their scales to DNA extracted from the scales of fish collected from a controlled fish farm. A single, random sampling was conducted. Fish were broadly categorised into three weight categories (W1, W2 and W3). The experimental samples in the W1, W2 and W3 categories had an average DNA concentration (µg/µl) that was lower than the control samples. All control samples had a single DNA band; whereas the experimental samples in W1 fish had 1 to 2 bands, the experimental samples in W2 fish had two bands and the experimental samples in W3 fish had fragmentation in the form of three bands. These bands exhibit the effects of pollution on fish in the Ravi River. On the basis findings of this study, we propose that fish scales can be successfully employed as a new non-lethal tool for the evaluation of the effect of surface water contaminants.

Keywords: fish scales, Cyprinus carpio, heavy metals, non-invasive, DNA fragmentation

Procedia PDF Downloads 416
11602 The Effects of Knowledge Management on Human Capital towards Organizational Innovation

Authors: Wan Norhayate Wan Daud, Fakhrul Anwar Zainol, Maslina Mansor

Abstract:

The study was conducted to produce case studies from the Malaysian public universities stands point East Coast of Malaysia. The aim of this study is to analyze the effects of knowledge management on human capital toward organizational innovation. The focus point of this study is on the management member in the faculties of these three Malaysian Public Universities in the East Coast state of Peninsular Malaysia. In this case, respondents who agreed to further participate in the research will be invited to a one-hour face-to-face semi-structured, in-depth interview. As a result, the sample size for this study was 3 deans of Faculty of Management. Lastly, this study tries to recommend the framework of organizational innovation in Malaysian Public Universities.

Keywords: human capital, knowledge management, organizational innovation, public university

Procedia PDF Downloads 450
11601 A Discussion on Urban Planning Methods after Globalization within the Context of Anticipatory Systems

Authors: Ceylan Sozer, Ece Ceylan Baba

Abstract:

The reforms and changes that began with industrialization in cities and continued with globalization in 1980’s, created many changes in urban environments. City centers which are desolated due to industrialization, began to get crowded with globalization and became the heart of technology, commerce and social activities. While the immediate and intense alterations are planned around rigorous visions in developed countries, several urban areas where the processes were underestimated and not taken precaution faced with irrevocable situations. When the effects of the globalization in the cities are examined, it is seen that there are some anticipatory system plans in the cities about the future problems. Several cities such as New York, London and Tokyo have planned to resolve probable future problems in a systematic scheme to decrease possible side effects during globalization. The decisions in urban planning and their applications are the main points in terms of sustainability and livability in such mega-cities. This article examines the effects of globalization on urban planning through 3 mega cities and the applications. When the applications of urban plannings of the three mega-cities are investigated, it is seen that the city plans are generated under light of past experiences and predictions of a certain future. In urban planning, past and present experiences of a city should have been examined and then future projections could be predicted together with current world dynamics by a systematic way. In this study, methods used in urban planning will be discussed and ‘Anticipatory System’ model will be explained and relations with global-urban planning will be discussed. The concept of ‘anticipation’ is a phenomenon that means creating foresights and predictions about the future by combining past, present and future within an action plan. The main distinctive feature that separates anticipatory systems from other systems is the combination of past, present and future and concluding with an act. Urban plans that consist of various parameters and interactions together are identified as ‘live’ and they have systematic integrities. Urban planning with an anticipatory system might be alive and can foresight some ‘side effects’ in design processes. After globalization, cities became more complex and should be designed within an anticipatory system model. These cities can be more livable and can have sustainable urban conditions for today and future.In this study, urban planning of Istanbul city is going to be analyzed with comparisons of New York, Tokyo and London city plans in terms of anticipatory system models. The lack of a system in İstanbul and its side effects will be discussed. When past and present actions in urban planning are approached through an anticipatory system, it can give more accurate and sustainable results in the future.

Keywords: globalization, urban planning, anticipatory system, New York, London, Tokyo, Istanbul

Procedia PDF Downloads 144
11600 Effects of IPPC Permits on Ambient Air Quality

Authors: C. Cafaro, P. Ceci, L. De Giorgi

Abstract:

The aim of this paper is to give an assessment of environmental effects of IPPC permit conditions of installations that are in the specific territory with a high concentration of industrial activities. The IPPC permit is the permit that each operator should hold to operate the installation as stated by the directive 2010/75/UE on industrial emissions (integrated pollution prevention and control), known as IED (Industrial Emissions Directive). The IPPC permit includes all the measures necessary to achieve a high level of protection of the environment as a whole, also defining the monitoring requirements as measurement methodology, frequency, and evaluation procedure. The emissions monitoring of a specific plant may also give indications of the contribution of these emissions on the air quality of a definite area. So, it is clear that the IPPC permits are important tools both to improve the environmental framework and to achieve the air quality standards, assisting in assessing the possible industrial sources contributions to air pollution.

Keywords: IPPC, IED, emissions, permits, air quality, large combustion plants

Procedia PDF Downloads 454
11599 The Effects of Human Activities on Plant Diversity in Tropical Wetlands of Lake Tana (Ethiopia)

Authors: Abrehet Kahsay Mehari

Abstract:

Aquatic plants provide the physical structure of wetlands and increase their habitat complexity and heterogeneity, and as such, have a profound influence on other biotas. In this study, we investigated how human disturbance activities influenced the species richness and community composition of aquatic plants in the wetlands of Lake Tana, Ethiopia. Twelve wetlands were selected: four lacustrine, four river mouths, and four riverine papyrus swamps. Data on aquatic plants, environmental variables, and human activities were collected during the dry and wet seasons of 2018. A linear mixed effect model and a distance-based Redundancy Analysis (db-RDA) were used to relate aquatic plant species richness and community composition, respectively, to human activities and environmental variables. A total of 113 aquatic plant species, belonging to 38 families, were identified across all wetlands during the dry and wet seasons. Emergent species had the maximum area covered at 73.45 % and attained the highest relative abundance, followed by amphibious and other forms. The mean taxonomic richness of aquatic plants was significantly lower in wetlands with high overall human disturbance scores compared to wetlands with low overall human disturbance scores. Moreover, taxonomic richness showed a negative correlation with livestock grazing, tree plantation, and sand mining. The community composition also varied across wetlands with varying levels of human disturbance and was primarily driven by turnover (i.e., replacement of species) rather than nestedness resultant(i.e., loss of species). Distance-based redundancy analysis revealed that livestock grazing, tree plantation, sand mining, waste dumping, and crop cultivation were significant predictors of variation in aquatic plant communities’ composition in the wetlands. Linear mixed effect models and distance-based redundancy analysis also revealed that water depth, turbidity, conductivity, pH, sediment depth, and temperature were important drivers of variations in aquatic plant species richness and community composition. Papyrus swamps had the highest species richness and supported different plant communities. Conservation efforts should therefore focus on these habitats and measures should be taken to restore the highly disturbed and species poor wetlands near the river mouths.

Keywords: species richness, community composition, aquatic plants, wetlands, Lake Tana, human disturbance activities

Procedia PDF Downloads 131
11598 Using Arellano-Bover/Blundell-Bond Estimator in Dynamic Panel Data Analysis – Case of Finnish Housing Price Dynamics

Authors: Janne Engblom, Elias Oikarinen

Abstract:

A panel dataset is one that follows a given sample of individuals over time, and thus provides multiple observations on each individual in the sample. Panel data models include a variety of fixed and random effects models which form a wide range of linear models. A special case of panel data models are dynamic in nature. A complication regarding a dynamic panel data model that includes the lagged dependent variable is endogeneity bias of estimates. Several approaches have been developed to account for this problem. In this paper, the panel models were estimated using the Arellano-Bover/Blundell-Bond Generalized method of moments (GMM) estimator which is an extension of the Arellano-Bond model where past values and different transformations of past values of the potentially problematic independent variable are used as instruments together with other instrumental variables. The Arellano–Bover/Blundell–Bond estimator augments Arellano–Bond by making an additional assumption that first differences of instrument variables are uncorrelated with the fixed effects. This allows the introduction of more instruments and can dramatically improve efficiency. It builds a system of two equations—the original equation and the transformed one—and is also known as system GMM. In this study, Finnish housing price dynamics were examined empirically by using the Arellano–Bover/Blundell–Bond estimation technique together with ordinary OLS. The aim of the analysis was to provide a comparison between conventional fixed-effects panel data models and dynamic panel data models. The Arellano–Bover/Blundell–Bond estimator is suitable for this analysis for a number of reasons: It is a general estimator designed for situations with 1) a linear functional relationship; 2) one left-hand-side variable that is dynamic, depending on its own past realizations; 3) independent variables that are not strictly exogenous, meaning they are correlated with past and possibly current realizations of the error; 4) fixed individual effects; and 5) heteroskedasticity and autocorrelation within individuals but not across them. Based on data of 14 Finnish cities over 1988-2012 differences of short-run housing price dynamics estimates were considerable when different models and instrumenting were used. Especially, the use of different instrumental variables caused variation of model estimates together with their statistical significance. This was particularly clear when comparing estimates of OLS with different dynamic panel data models. Estimates provided by dynamic panel data models were more in line with theory of housing price dynamics.

Keywords: dynamic model, fixed effects, panel data, price dynamics

Procedia PDF Downloads 1513
11597 Ultrastructural Changes Occur in Mice Lungs After Cessation to Exposure of Incense Smoke

Authors: Samar Rabah

Abstract:

Background: Incense woods are special kind of trees called Agarwood, which characterized by good smelling odors and many medical benefits. Incense smoke is heavily used in Saudi Arabia although comprehensive studies of its effects on health are limited. The present study demonstrated lung ultrastructure changes of mice after exposure and cessation to Incense smoke. Eighty mice are divided equally into four groups, three groups are exposed to different concentrations of Incense smoke (2, 4 and 6 gm) for three months, while the fourth group is control one. At the end of each month, lungs of five animals from each group are gathered, while the last five animals from each group are kept for another 60 days without exposure to the Incense smoke to allow for recovery. Results: Transmission electron microscope investigations of all exposed groups showed hypertrophy and hyperplasia in Clara Cells and some an enlargement of the macrophage to the point that it fills a large part of the alveolar lumen. Scanning electron microscope marks presence of mucus materials attached to the epithelial bronchioles. After prevention of exposure to the Incense smoke for 60 days, necrosis and degeneration in some cells of epithelial bronchioles, fibrosis of peribronchial, thickening in alveolar walls and aggregation of lymphoid cells were demonstrated. Conclusion: Based on the above findings and other related studies (not published), we conclude that exposure to Incense smoke causes harmful effects due to sever changes in pulmonary ultrastructure, such effects do not disappear even when Incense smoke inhalation was stopped. Therefore, we recommend that Incense smoke should use only in open places to reduce its harms.

Keywords: Incense smoke, lungs, ultrastructure of lungs, Agarwood

Procedia PDF Downloads 416
11596 Molecular Dynamics Study of Ferrocene in Low and Room Temperatures

Authors: Feng Wang, Vladislav Vasilyev

Abstract:

Ferrocene (Fe(C5H5)2, i.e., di-cyclopentadienyle iron (FeCp2) or Fc) is a unique example of ‘wrong but seminal’ in chemistry history. It has significant applications in a number of areas such as homogeneous catalysis, polymer chemistry, molecular sensing, and nonlinear optical materials. However, the ‘molecular carousel’ has been a ‘notoriously difficult example’ and subject to long debate for its conformation and properties. Ferrocene is a dynamic molecule. As a result, understanding of the dynamical properties of ferrocene is very important to understand the conformational properties of Fc. In the present study, molecular dynamic (MD) simulations are performed. In the simulation, we use 5 geometrical parameters to define the overall conformation of Fc and all the rest is a thermal noise. The five parameters are defined as: three parameters d---the distance between two Cp planes, α and δ to define the relative positions of the Cp planes, in which α is the angle of the Cp tilt and δ the angle the two Cp plane rotation like a carousel. Two parameters to position the Fe atom between two Cps, i.e., d1 for Fe-Cp1 and d2 for Fe-Cp2 distances. Our preliminary MD simulation discovered the five parameters behave differently. Distances of Fe to the Cp planes show that they are independent, practically identical without correlation. The relative position of two Cp rings, α, indicates that the two Cp planes are most likely not in a parallel position, rather, they tilt in a small angle α≠ 0°. The mean plane dihedral angle δ ≠ 0°. Moreover, δ is neither 0° nor 36°, indicating under those conditions, Fc is neither in a perfect eclipsed structure nor a perfect staggered structure. The simulations show that when the temperature is above 80K, the conformers are virtually in free rotations, A very interesting result from the MD simulation is the five C-Fe bond distances from the same Cp ring. They are surprisingly not identical but in three groups of 2, 2 and 1. We describe the pentagon formed by five carbon atoms as ‘turtle swimming’ for the motion of the Cp rings of Fc as shown in their dynamical animation video. The Fe- C(1) and Fe-C(2) which are identical as ‘the turtle back legs’, Fe-C(3) and Fe-C(4) which are also identical as turtle front paws’, and Fe-C(5) ---’the turtle head’. Such as ‘turtle swimming’ analog may be able to explain the single substituted derivatives of Fc. Again, the mean Fe-C distance obtained from MD simulation is larger than the quantum mechanically calculated Fe-C distances for eclipsed and staggered Fc, with larger deviation with respect to the eclipsed Fc than the staggered Fc. The same trend is obtained for the five Fe-C-H angles from same Cp ring of Fc. The simulated mean IR spectrum at 7K shows split spectral peaks at approximately 470 cm-1 and 488 cm-1, in excellent agreement with quantum mechanically calculated gas phase IR spectrum for eclipsed Fc. As the temperature increases over 80K, the clearly splitting IR spectrum become a very board single peak. Preliminary MD results will be presented.

Keywords: ferrocene conformation, molecular dynamics simulation, conformer orientation, eclipsed and staggered ferrocene

Procedia PDF Downloads 219