Search results for: molecular mobility
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 2944

Search results for: molecular mobility

1624 Membranes for Direct Lithium Extraction (DLE)

Authors: Amir Razmjou, Elika Karbassi Yazdi

Abstract:

Several direct lithium extraction (DLE) technologies have been developed for Li extraction from different brines. Although laboratory studies showed that they can technically recover Li to 90%, challenges still remain in developing a sustainable process that can serve as a foundation for the lithium dependent low-carbon economy. There is a continuing quest for DLE technologies that do not need extensive pre-treatments, fewer materials, and have simplified extraction processes with high Li selectivity. Here, an overview of DLE technologies will be provided with an emphasis on the basic principles of the materials’ design for the development of membranes with nanochannels and nanopores with Li ion selectivity. We have used a variety of building blocks such as nano-clay, organic frameworks, Graphene/oxide, MXene, etc., to fabricate the membranes. Molecular dynamic simulation (MD) and density functional theory (DFT) were used to reveal new mechanisms by which high Li selectivity was obtained.

Keywords: lithium recovery, membrane, lithium selectivity, decarbonization

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1623 Measuring the Quality of Business Education: Employment Readiness Assessment

Authors: Gulbakhyt Sultanova

Abstract:

Business education institutions assess the progress of their students by giving them grades for courses completed and calculating a Grade Point Average (GPA). Whether the participation in these courses has led to the development of competences enabling graduates to successfully compete in the labor market should be measured using a new index: Employment Readiness Assessment (ERA). The higher the ERA, the higher the quality of education at a business school. This is applied, empirical research conducted by using a method of linear optimization. The aim of research is to identify factors which lead to the minimization of the deviation of GPA from ERA as well as to the maximization of ERA. ERA is composed of three components resulting from testing proficiency in Business English, testing work and personal skills, and job interview simulation. The quality of education is improving if GPA approximates ERA and ERA increases. Factors which have had a positive effect on quality enhancement are academic mobility of students and staff, practical-oriented courses taught by staff with work experience, and research-based courses taught by staff with research experience. ERA is a better index to measure the quality of business education than traditional indexes such as GPA due to its greater accuracy in assessing the level of graduates’ competences demanded in the labor market. Optimizing the educational process in pursuit of quality enhancement, ERA has to be used in parallel with GPA to find out which changes worked and resulted in improvement.

Keywords: assessment and evaluation, competence evaluation, education quality, employment readiness

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1622 Liquefaction Assessment of Marine Soil in Western Yemen Region Based on Laboratory and Field Tests

Authors: Monalisha Nayak, T. G. Sitharam

Abstract:

Liquefaction is a major threat for sites consists of or on sandy soil. But this present study concentrates on the behavior of fine soil under cyclic loading. This paper presents the study of liquefaction susceptibility of marine silty clay to clayey silt for an offshore site near western Yemen. The submerged and loose sediment condition of marine soil of an offshore site can favour liquefaction during earthquakes. In this regard, the liquefaction susceptibility of the site was carried out based on both field test results and laboratory test results. From field test results of seismic cone penetration test (SCPT), liquefaction susceptibility was assessed considering normalized cone tip resistance, and normalized friction ratio and results give an idea regarding both cyclic mobility and flow liquefaction. Laboratory cyclic triaxial tests were also conducted on saturated undisturbed and remoulded sample to study the effect of cyclic loading on strength and strain characteristics. Liquefaction susceptibility of the marine soft soil was also carried out based on index properties like grain size distribution, natural moisture content and liquid limit of soil.

Keywords: index properties, liquefaction, marine soil, seismic cone penetration test (SCPT)

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1621 A Comprehensive Review on Health Hazards and Challenges for Microbial Remediation of Persistent Organic Pollutants

Authors: Nisha Gaur, K.Narasimhulu, Pydi Setty Yelamarthy

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Persistent organic pollutants (POPs) have become a great concern due to their toxicity, transformation and bioaccumulation property. Therefore, this review highlights the types, sources, classification health hazards and mobility of organochlorine pesticides, industrial chemicals and their by-products. Moreover, with the signing of Aarhus and Stockholm convention on POPs there is an increased demand to identify and characterise such chemicals from industries and environment which are toxic in nature or to existing biota. Due to long life, persistent nature they enter into body through food and transfer to all tropic levels of ecological unit. In addition, POPs are lipophilic in nature and accumulate in lipid-containing tissues and organs which further indicates the adverse symptoms after the threshold limit. Though, several potential enzymes are reported from various categories of microorganism and their interaction with POPs may break down the complex compounds either through biodegradation, biostimulation or bioaugmentation process, however technological advancement and human activities have also indicated to explore the possibilities for the role of genetically modified organisms and metagenomics and metabolomics. Though many studies have been done to develop low cost, effective and reliable method for detection, determination and removal of ultra-trace concentration of persistent organic pollutants (POPs) but due to insufficient knowledge and non-feasibility of technique, the safe management of POPs is still a global challenge.

Keywords: persistent organic pollutants, bioaccumulation, biostimulation, microbial remediation

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1620 High Throughput LC-MS/MS Studies on Sperm Proteome of Malnad Gidda (Bos Indicus) Cattle

Authors: Kerekoppa Puttaiah Bhatta Ramesha, Uday Kannegundla, Praseeda Mol, Lathika Gopalakrishnan, Jagish Kour Reen, Gourav Dey, Manish Kumar, Sakthivel Jeyakumar, Arumugam Kumaresan, Kiran Kumar M., Thottethodi Subrahmanya Keshava Prasad

Abstract:

Spermatozoa are the highly specialized transcriptionally and translationally inactive haploid male gamete. The understanding of proteome of sperm is indispensable to explore the mechanism of sperm motility and fertility. Though there is a large number of human sperm proteomic studies, in-depth proteomic information on Bos indicus spermatozoa is not well established yet. Therefore, we illustrated the profile of sperm proteome in indigenous cattle, Malnad gidda (Bos Indicus), using high-resolution mass spectrometry. In the current study, two semen ejaculates from 3 breeding bulls were collected employing the artificial vaginal method. Using 45% percoll purification, spermatozoa cells were isolated. Protein was extracted using lysis buffer containing 2% Sodium Dodecyl Sulphate (SDS) and protein concentration was estimated. Fifty micrograms of protein from each individual were pooled for further downstream processing. Pooled sample was fractionated using SDS-Poly Acrylamide Gel Electrophoresis, which is followed by in-gel digestion. The peptides were subjected to C18 Stage Tip clean-up and analyzed in Orbitrap Fusion Tribrid mass spectrometer interfaced with Proxeon Easy-nano LC II system (Thermo Scientific, Bremen, Germany). We identified a total of 6773 peptides with 28426 peptide spectral matches, which belonged to 1081 proteins. Gene ontology analysis has been carried out to determine the biological processes, molecular functions and cellular components associated with sperm protein. The biological process chiefly represented our data is an oxidation-reduction process (5%), spermatogenesis (2.5%) and spermatid development (1.4%). The highlighted molecular functions are ATP, and GTP binding (14%) and the prominent cellular components most observed in our data were nuclear membrane (1.5%), acrosomal vesicle (1.4%), and motile cilium (1.3%). Seventeen percent of sperm proteins identified in this study were involved in metabolic pathways. To the best of our knowledge, this data represents the first total sperm proteome from indigenous cattle, Malnad Gidda. We believe that our preliminary findings could provide a strong base for the future understanding of bovine sperm proteomics.

Keywords: Bos indicus, Malnad Gidda, mass spectrometry, spermatozoa

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1619 Synthesis, Characterization and Gas Sensing Applications of Perovskite CaZrO3 Nanoparticles

Authors: B. M. Patil

Abstract:

Calcium Zirconate (CaZrO3) has high protonic conductivities at elevated temperature in water or hydrogen atmosphere. Undoped calcium zirconate acts as a p-type semiconductor in air. In this paper, we reported synthesis of CaZrO3 nanoparticles via modified molecular precursor method. The precursor calcium zirconium oxalate (CZO) was synthesized by exchange reaction between freshly generated aqueous solution of sodium zirconyl oxalate and calcium acetate at room temperature. The controlled pyrolysis of CZO in air at 700°C for one hour resulted in the formation nanocrystalline CaZrO3 powder. CaZrO3 obtained by the present method was characterized by Simultaneous thermogravimetry and differential thermogravimetry (TG-DTA), X-ray diffraction (XRD), infra-red spectroscopy and transmission electron microscopy (TEM). The pellets of synthesized CaZrO3 fabricated, sintered at 1000°C for 5 hr and tested as sensors for NO2 and NH3 gases.

Keywords: CaZrO3, CZO, NO2, NH3

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1618 Synthesis and Application of Oligosaccharides Representing Plant Cell Wall Polysaccharides

Authors: Mads H. Clausen

Abstract:

Plant cell walls are structurally complex and contain a larger number of diverse carbohydrate polymers. These plant fibers are a highly valuable bio-resource and the focus of food, energy and health research. We are interested in studying the interplay of plant cell wall carbohydrates with proteins such as enzymes, cell surface lectins and antibodies. However, detailed molecular level investigations of such interactions are hampered by the heterogeneity and diversity of the polymers of interest. To circumvent this, we target well-defined oligosaccharides with representative structures that can be used for characterizing protein-carbohydrate binding. The presentation will highlight chemical syntheses of plant cell wall oligosaccharides from our group and provide examples from studies of their interactions with proteins.

Keywords: oligosaccharides, carbohydrate chemistry, plant cell walls, carbohydrate-acting enzymes

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1617 Component Comparison of Polyaluminum Chloride Produced from Various Methods

Authors: Wen Po Cheng, Chia Yun Chung, Ruey Fang Yu, Chao Feng Chen

Abstract:

The main objective of this research was to study the differences of aluminum hydrolytic products between two PACl preparation methods. These two methods were the acidification process of freshly formed amorphous Al(OH)3 and the conventional alkalization process of aluminum chloride solution. According to Ferron test and 27Al NMR analysis of those two PACl preparation procedures, the reaction rate constant (k) values and Al13 percentage of acid addition process at high basicity value were both lower than those values of the alkaline addition process. The results showed that the molecular structure and size distribution of the aluminum species in both preparing methods were suspected to be significantly different at high basicity value.

Keywords: polyaluminum chloride, Al13, amorphous aluminum hydroxide, Ferron test

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1616 Structure Clustering for Milestoning Applications of Complex Conformational Transitions

Authors: Amani Tahat, Serdal Kirmizialtin

Abstract:

Trajectory fragment methods such as Markov State Models (MSM), Milestoning (MS) and Transition Path sampling are the prime choice of extending the timescale of all atom Molecular Dynamics simulations. In these approaches, a set of structures that covers the accessible phase space has to be chosen a priori using cluster analysis. Structural clustering serves to partition the conformational state into natural subgroups based on their similarity, an essential statistical methodology that is used for analyzing numerous sets of empirical data produced by Molecular Dynamics (MD) simulations. Local transition kernel among these clusters later used to connect the metastable states using a Markovian kinetic model in MSM and a non-Markovian model in MS. The choice of clustering approach in constructing such kernel is crucial since the high dimensionality of the biomolecular structures might easily confuse the identification of clusters when using the traditional hierarchical clustering methodology. Of particular interest, in the case of MS where the milestones are very close to each other, accurate determination of the milestone identity of the trajectory becomes a challenging issue. Throughout this work we present two cluster analysis methods applied to the cis–trans isomerism of dinucleotide AA. The choice of nucleic acids to commonly used proteins to study the cluster analysis is two fold: i) the energy landscape is rugged; hence transitions are more complex, enabling a more realistic model to study conformational transitions, ii) Nucleic acids conformational space is high dimensional. A diverse set of internal coordinates is necessary to describe the metastable states in nucleic acids, posing a challenge in studying the conformational transitions. Herein, we need improved clustering methods that accurately identify the AA structure in its metastable states in a robust way for a wide range of confused data conditions. The single linkage approach of the hierarchical clustering available in GROMACS MD-package is the first clustering methodology applied to our data. Self Organizing Map (SOM) neural network, that also known as a Kohonen network, is the second data clustering methodology. The performance comparison of the neural network as well as hierarchical clustering method is studied by means of computing the mean first passage times for the cis-trans conformational rates. Our hope is that this study provides insight into the complexities and need in determining the appropriate clustering algorithm for kinetic analysis. Our results can improve the effectiveness of decisions based on clustering confused empirical data in studying conformational transitions in biomolecules.

Keywords: milestoning, self organizing map, single linkage, structure clustering

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1615 ASEAN Air Transport Liberalization and Its Impact to Indonesian Air Service

Authors: Oentoeng Wahjoe

Abstract:

Liberalisation of air transportation practically is known as open sky policy. In the practice, the liberalisation of air transportation is divided into two group of services, i.e.: air transportation services, for passengers and goods (air service) which is categorized as hard rights and supporting services of the air transportation services (ancillary services) which is categorized as soft rights. The research in this paper focused in air transportation services for passengers and goods, consists of nine freedom of the air. The impact of the policy such as the Agreement regarding ASEAN open sky policy, is the readiness of Indonesian air transportation companies to compete with foreign air transportation companies. The goverment of Indonesia has to regulate the implementation of ASEAN Open Sky Policy to be projected in order to comply with national development, i.e. the function of air law in national development. The policy has been implemented by enact or amend the existing law as air law that regulate flight lines, the following provisions: To regulate flight line for foreign airlines to open flight lines in Indonesia region which may not or have not land and sea transportation. The regulation is intended to supprot mobility of humans, goods and services that may fulfil the needs of the people of Indonesia, which materially and spiritually and the development of the region. The regulation of flight lines of foreign air transportation for region of tourism, industrial and trade centre. The regulation is intended to support the national economic development of Indonesia.

Keywords: transport, liberalization, impact, Indonesian air service

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1614 Post Pandemic Mobility Analysis through Indexing and Sharding in MongoDB: Performance Optimization and Insights

Authors: Karan Vishavjit, Aakash Lakra, Shafaq Khan

Abstract:

The COVID-19 pandemic has pushed healthcare professionals to use big data analytics as a vital tool for tracking and evaluating the effects of contagious viruses. To effectively analyze huge datasets, efficient NoSQL databases are needed. The analysis of post-COVID-19 health and well-being outcomes and the evaluation of the effectiveness of government efforts during the pandemic is made possible by this research’s integration of several datasets, which cuts down on query processing time and creates predictive visual artifacts. We recommend applying sharding and indexing technologies to improve query effectiveness and scalability as the dataset expands. Effective data retrieval and analysis are made possible by spreading the datasets into a sharded database and doing indexing on individual shards. Analysis of connections between governmental activities, poverty levels, and post-pandemic well being is the key goal. We want to evaluate the effectiveness of governmental initiatives to improve health and lower poverty levels. We will do this by utilising advanced data analysis and visualisations. The findings provide relevant data that supports the advancement of UN sustainable objectives, future pandemic preparation, and evidence-based decision-making. This study shows how Big Data and NoSQL databases may be used to address problems with global health.

Keywords: big data, COVID-19, health, indexing, NoSQL, sharding, scalability, well being

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1613 Deep Reinforcement Learning Model for Autonomous Driving

Authors: Boumaraf Malak

Abstract:

The development of intelligent transportation systems (ITS) and artificial intelligence (AI) are spurring us to pave the way for the widespread adoption of autonomous vehicles (AVs). This is open again opportunities for smart roads, smart traffic safety, and mobility comfort. A highly intelligent decision-making system is essential for autonomous driving around dense, dynamic objects. It must be able to handle complex road geometry and topology, as well as complex multiagent interactions, and closely follow higher-level commands such as routing information. Autonomous vehicles have become a very hot research topic in recent years due to their significant ability to reduce traffic accidents and personal injuries. Using new artificial intelligence-based technologies handles important functions in scene understanding, motion planning, decision making, vehicle control, social behavior, and communication for AV. This paper focuses only on deep reinforcement learning-based methods; it does not include traditional (flat) planar techniques, which have been the subject of extensive research in the past because reinforcement learning (RL) has become a powerful learning framework now capable of learning complex policies in high dimensional environments. The DRL algorithm used so far found solutions to the four main problems of autonomous driving; in our paper, we highlight the challenges and point to possible future research directions.

Keywords: deep reinforcement learning, autonomous driving, deep deterministic policy gradient, deep Q-learning

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1612 Mostar Type Indices and QSPR Analysis of Octane Isomers

Authors: B. Roopa Sri, Y Lakshmi Naidu

Abstract:

Chemical Graph Theory (CGT) is the branch of mathematical chemistry in which molecules are modeled to study their physicochemical properties using molecular descriptors. Amongst these descriptors, topological indices play a vital role in predicting the properties by defining the graph topology of the molecule. Recently, the bond-additive topological index known as the Mostar index has been proposed. In this paper, we compute the Mostar-type indices of octane isomers and use the data obtained to perform QSPR analysis. Furthermore, we show the correlation between the Mostar type indices and the properties.

Keywords: chemical graph theory, mostar type indices, octane isomers, qspr analysis, topological index

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1611 Automatic Identification and Monitoring of Wildlife via Computer Vision and IoT

Authors: Bilal Arshad, Johan Barthelemy, Elliott Pilton, Pascal Perez

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Getting reliable, informative, and up-to-date information about the location, mobility, and behavioural patterns of animals will enhance our ability to research and preserve biodiversity. The fusion of infra-red sensors and camera traps offers an inexpensive way to collect wildlife data in the form of images. However, extracting useful data from these images, such as the identification and counting of animals remains a manual, time-consuming, and costly process. In this paper, we demonstrate that such information can be automatically retrieved by using state-of-the-art deep learning methods. Another major challenge that ecologists are facing is the recounting of one single animal multiple times due to that animal reappearing in other images taken by the same or other camera traps. Nonetheless, such information can be extremely useful for tracking wildlife and understanding its behaviour. To tackle the multiple count problem, we have designed a meshed network of camera traps, so they can share the captured images along with timestamps, cumulative counts, and dimensions of the animal. The proposed method takes leverage of edge computing to support real-time tracking and monitoring of wildlife. This method has been validated in the field and can be easily extended to other applications focusing on wildlife monitoring and management, where the traditional way of monitoring is expensive and time-consuming.

Keywords: computer vision, ecology, internet of things, invasive species management, wildlife management

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1610 Molecular Detection of Staphylococcus aureus in the Pork Chain Supply and the Potential Anti-Staphylococcal Activity of Natural Compounds

Authors: Valeria Velasco, Ana M. Bonilla, José L. Vergara, Alcides Lofa, Jorge Campos, Pedro Rojas-García

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Staphylococcus aureus is both commensal bacterium and opportunistic pathogen that can cause different diseases in humans and can rapidly develop antimicrobial resistance. Since this bacterium has the ability to colonize the nares and skin of humans and animals, there is a risk of contamination of food in different steps of the food chain supply. Emerging strains have been detected in food-producing animals and meat, such as methicillin-resistant S. aureus (MRSA). The aim of this study was to determine the prevalence and oxacillin susceptibility of S. aureus in the pork chain supply in Chile and to suggest some natural antimicrobials for control. A total of 487 samples were collected from pigs (n=332), carcasses (n=85), and retail pork meat (n=70). Presumptive S. aureus colonies were isolated by selective enrichment and culture media. The confirmation was carried out by biochemical testing (Api® Staph) and molecular technique PCR (detection of nuc and mecA genes, associated with S. aureus and methicillin resistance, respectively). The oxacillin (β-lactam antibiotic that replaced methicillin) susceptibility was assessed by minimum inhibitory concentration (MIC) using the Epsilometer test (Etest). A preliminary assay was carried out to test thymol, carvacrol, oregano essential oil (Origanum vulgare L.), Maqui or Chilean wineberry extract (Aristotelia chilensis (Mol.) Stuntz) as anti-staphylococcal agents using the disc diffusion method at different concentrations. The overall prevalence of S. aureus in the pork chain supply reached 33.9%. A higher prevalence of S. aureus was determined in carcasses (56.5%) than in pigs (28.3%) and pork meat (32.9%) (P ≤ 0.05). The prevalence of S. aureus in pigs sampled at farms (40.6%) was higher than in pigs sampled at slaughterhouses (23.3%) (P ≤ 0.05). The contamination of no packaged meat with S. aureus (43.1%) was higher than in packaged meat (5.3%) (P ≤ 0.05). The mecA gene was not detected in S. aureus strains isolated in this study. Two S. aureus strains exhibited oxacillin resistance (MIC ≥ 4µg/mL). Anti-staphylococcal activity was detected in solutions of thymol, carvacrol, and oregano essential oil at all concentrations tested. No anti-staphylococcal activity was detected in Maqui extract. Finally, S. aureus is present in the pork chain supply in Chile. Although the mecA gene was not detected, oxacillin resistance was found in S. aureus and could be attributed to another resistance mechanism. Thymol, carvacrol, and oregano essential oil could be used as anti-staphylococcal agents at low concentrations. Research project Fondecyt No. 11140379.

Keywords: antimicrobials, mecA gen, nuc gen, oxacillin susceptibility, pork meat

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1609 Bioconversion of Orange Wastes for Pectinase Production Using Aspergillus niger under Solid State Fermentation

Authors: N. Hachemi, A. Nouani, A. Benchabane

Abstract:

The influence of cultivation factors such as content of ammonium sulfate, glucose and water in the culture medium and particle size of dry orange waste, on their bioconversion for pectinase production was studied using complete factorial design. a polygalacturonase (PG) was isolated using ion exchange chromatography under gradient elution 0-0,5 m/l NaCl (column equilibrate with acetate buffer pH 4,5), subsequently by sephadex G75 column chromatography was applied and the molecular weight was obtained about 51,28 KDa . Purified PG enzyme exhibits a pH and temperature optima of activity at 5 and 35°C respectively. Treatment of apple juice by purified enzyme extract yielded a clear juice, which was competitive with juice yielded by pure Sigma Aldrich Aspergillus niger enzyme.

Keywords: bioconversion, orange wastes, optimization, pectinase

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1608 Identification and Classification of Gliadin Genes in Iranian Diploid Wheat

Authors: Jafar Ahmadi, Alireza Pour-Aboughadareh

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Wheat is the first and the most important grain of the world and its bakery property is due to glutenin and gliadin qualities. Wheat seed proteins were divided into four groups according to solubility. Two groups are albumin and globulin dissolving in water and salt solutions possessing metabolic activities. Two other groups are inactive and non-dissolvable and contain glutelins or glutenins and prolamins or gliadins. Gliadins are major components of the storage proteins in wheat endosperm. Gliadin proteins are separated into three groups based on electrophoretic mobility: α/β-gliadin, γ-gliadin, and ω-gliadin. It seems that little information is available about gliadin genes in Iranian wild relatives of wheat. Thus, the aim of this study was the evaluation of the wheat wild relatives collected from different origins of Zagros Mountains in Iran, involving coding gliadin genes using specific primers. For this, forty accessions of Triticum boeoticum and Triticum urartu were selected. For each accession, genomic DNA was extracted and PCRs were performed in total volumes of 15 μl. The amplification products were separated on 1.5% agarose gels. In results, for Gli-2A locus, three allelic variants were detected by Gli-2As primer pairs. The sizes of PCR products for these alleles were 210, 490 and 700 bp. Only five (13%) and two accessions (5%) produced 700 and 490 bp fragments when their DNA was amplified with the Gli.As.2 primer pairs. However, 37 of the 40 accessions (93%) carried 210 bp allele, and three accessions (8%) did not yield any product for this marker. Therefore, these germplasm could be used as rich gene pool to broaden the genetic base of bread wheat.

Keywords: diploied wheat, gliadin, Triticum boeoticum, Triticum urartu

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1607 Enabling Integrated Production of Electric Vehicles in Automotive Final Assembly: Realization of an Expert Study

Authors: Achim Kampker, Heiner Hans Heimes, Mathias Ordung, Jan-Philip Ganser

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In the past years, the automotive industry has changed significantly. Innovative mobility concepts have become more important, and electric vehicles see a chance of replacing vehicles with combustion engines in the long term. However, the coming years will be characterized by coexistence. In this context, there are two possible production scenarios: One the one hand, electric vehicles could be manufactured in bespoke assembly lines. Concerning the uncertainty regarding sales figures development, this alternative boasts a high investment risk. Therefore, an integrated assembly building upon existing structures also seems a feasible solution. This empirical study aims at validating hypotheses concerning theoretical and practical challenges of the integrated production in the final assembly. In order to take a test of approaches of the research by analyzing censored feedback of professionals, these hypotheses are validated in the framework of an expert study. For this purpose, hypotheses have been generated on the basis of a requirements analysis and a concept specification. Thereupon, a list of question has been implemented and deduced from the hypotheses to execute an online- and written-survey and interviews with professionals. The interpretation and evaluation of the findings includes an inter-component comparison for the electric drivetrain. Furthermore, key drivers for a sufficient integrated product and process design are presented.

Keywords: automotive industry, final assembly, integrated manufacturing, product and process development

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1606 Investigating Water-Oxidation Using a Ru(III) Carboxamide Water Coordinated Complex

Authors: Yosra M. Badiei, Evelyn Ortiz, Marisa Portenti, David Szalda

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Water-oxidation half-reaction is a critical reaction that can be driven by a sustainable energy source (e.g., solar or wind) and be coupled with a chemical fuel making reaction which stores the released electrons and protons from water (e.g., H₂ or methanol). The use of molecular water-oxidation catalysts (WOC) allow the rationale design of redox active metal centers and provides a better understanding of their structure-activity-relationship. Herein, the structure of a Ru(III) complex bearing a doubly deprotonated N,N'-bis(aryl)pyridine-2,6-dicarboxamide ligand which contains a water molecule in its primary coordination sphere was elucidated by single-crystal X-ray diffraction. Further spectroscopic experimental data and pH-dependent electrochemical studies reveal its water-oxidation reactivity. Emphasis on mechanistic details for O₂ formation of this complex will be addressed.

Keywords: water-oxidation, catalysis, ruthenium, artificial photosynthesis

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1605 Revolutionizing Mobility: Decoding Electric Vehicles (EVs) and Hydrogen Fuel Cell Vehicles (HFCVs)

Authors: Samarjeet Singh, Shubhank Arya, Shubham Chauhan

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In recent years, the rise in carbon emissions and the widespread effects of global warming have brought new energy vehicles into the spotlight. Electric vehicles (EVs) and hydrogen fuel cell vehicles (HFCVs), both producing zero tailpipe emissions, are seen as promising alternatives. This paper examines the working, structural characteristics, and safety designs of EVs and HFCVs, comparing their carbon emissions, charging infrastructure, energy efficiency, and safety features. The analysis reveals that both EVs and HFCVs significantly reduce carbon emissions and enhance safety compared to traditional vehicles, with EVs showing greater emission reductions. Moreover, EVs are advancing more rapidly in terms of charging infrastructure compared to hydrogen energy vehicles. However, HFCVs exhibit lower energy efficiency than EVs. In terms of safety, both types surpass conventional vehicles, though EVs are more prone to overheating and fire hazards due to battery design issues. Current research suggests that EV technology and its supporting infrastructure are more comprehensive, cost-effective, and efficient in reducing carbon emissions. With continued investment in the development of new energy vehicles and potential advancements in hydrogen energy production, the future for HFCVs appears promising. The paper also expresses optimism for innovative solutions that could accelerate the growth of hydrogen energy vehicles.

Keywords: electric vehicles, fuel cell electric vehicles, automotive engineering, energy transition

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1604 Epidemiology, Clinical, Immune, and Molecular Profiles of Microsporidiosis and Cryptosporidiosis among HIV/AIDS patients

Authors: Roger WUMBA

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The objective of this study was to determine the prevalence of intestinal parasites, with special emphasis on microsporidia and Cryptosporidium, as well as their association with human immunodeficiency virus (HIV) symptoms, risk factors, and other digestive parasites. We also wish to determine the molecular biology definitions of the species and genotypes of microsporidia and Cryptosporidium in HIV patients. In this cross-sectional study, carried out in Kinshasa, Democratic Republic of the Congo, stool samples were collected from 242 HIV patients (87 men and 155 women) with referred symptoms and risk factors for opportunistic intestinal parasites. The analysis of feces specimen were performed using Ziehl–Neelsen stainings, real-time polymerase chain reaction (PCR), immunofluorescence indirect monoclonal antibody, nested PCR-restriction fragment length polymorphism, and PCR amplification and sequencing. Odds ratio (OR) and 95% confidence intervals were used to quantify the risk. Of the 242 HIV patients, 7.8%, 0.4%, 5.4%, 0.4%, 2%, 10.6%, and 2.8% had Enterocytozoon bieneusi, Encephalitozoon intestinalis, Cryptosporidium spp., Isospora belli, pathogenic intestinal protozoa, nonpathogenic intestinal protozoa, and helminths, respectively. We found five genotypes of E. bieneusi: two older, NIA1 and D, and three new, KIN1, KIN2, and KIN3. Only 0.4% and 1.6% had Cryptosporidium parvum and Cryptosporidium hominis, respectively. Of the patients, 36.4%, 34.3%, 31%, and 39% had asthenia, diarrhea, a CD4 count of ,100 cells/mm³, and no antiretroviral therapy (ART), respectively. The majority of those with opportunistic intestinal parasites and C. hominis, and all with C. parvum and new E. bieneusi genotypes, had diarrhea, low CD4+ counts of ,100 cells/mm³, and no ART. There was a significant association between Entamoeba coli, Kaposi sarcoma, herpes zoster, chronic diarrhea, and asthenia, and the presence of 28 cases with opportunistic intestinal parasites. Rural areas, public toilets, and exposure to farm pigs were the univariate risk factors present in the 28 cases with opportunistic intestinal parasites. In logistic regression analysis, a CD4 count of ,100 cells/mm³ (OR = 4.60; 95% CI 1.70–12.20; P = 0.002), no ART (OR = 5.00; 95% CI 1.90–13.20; P , 0.001), and exposure to surface water (OR = 2.90; 95% CI 1.01–8.40; P = 0.048) were identified as the significant and independent determinants for the presence of opportunistic intestinal parasites. E. bieneusi and Cryptosporidium are becoming more prevalent in Kinshasa, Congo. Based on the findings, we recommend epidemiology surveillance and prevention by means of hygiene, the emphasis of sensitive PCR methods, and treating opportunistic intestinal parasites that may be acquired through fecal–oral transmission, surface water, normal immunity, rural area-based person–person and animal–human nfection, and transmission of HIV. Therapy, including ART and treatment with fumagillin, is needed.

Keywords: diarrhea, enterocytozoon bieneusi, cryptosporidium hominis, cryptosporidium parvum, risk factors, africans

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1603 On Flexible Preferences for Standard Taxis, Electric Taxis, and Peer-to-Peer Ridesharing

Authors: Ricardo Daziano

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In the analysis and planning of the mobility ecosystem, preferences for ride-hailing over incumbent street-hailing services need better understanding. In this paper, a seminonparametric discrete choice model that allows for flexible preference heterogeneity is fitted with data from a discrete choice experiment among adult commuters in Montreal, Canada (N=760). Participants chose among Uber, Teo (a local electric ride-hailing service that was in operation when data was collected in 2018), and a standard taxi when presented with information about cost, time (on-trip, waiting, walking), powertrain of the car (gasoline/hybrid) for Uber and taxi, and whether the available electric Teo was a Tesla (which was one of the actual features of the Teo fleet). The fitted flexible model offers several behavioral insights. Waiting time for ride-hailing services is associated with a statistically significant but low marginal disutility. For other time components, including on-ride, and street-hailing waiting and walking the estimates of the value of time show an interesting pattern: whereas in a conditional logit on-ride time reductions are valued higher, in the flexible LML specification means of the value of time follow the expected pattern of waiting and walking creating a higher disutility. At the same time, the LML estimates show the presence of important, multimodal unobserved preference heterogeneity.

Keywords: discrete choice, electric taxis, ridehailing, semiparametrics

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1602 Cytotoxicological Evaluation of a Folate Receptor Targeting Drug Delivery System Based on Cyclodextrins

Authors: Caroline Mendes, Mary McNamara, Orla Howe

Abstract:

For chemotherapy, a drug delivery system should be able to specifically target cancer cells and deliver the therapeutic dose without affecting normal cells. Folate receptors (FR) can be considered key targets since they are commonly over-expressed in cancer cells and they are the molecular marker used in this study. Here, cyclodextrin (CD) has being studied as a vehicle for delivering the chemotherapeutic drug, methotrexate (MTX). CDs have the ability to form inclusion complexes, in which molecules of suitable dimensions are included within the CD cavity. In this study, β-CD has been modified using folic acid so as to specifically target the FR molecular marker. Thus, the system studied here for drug delivery consists of β-CD, folic acid and MTX (CDEnFA:MTX). Cellular uptake of folic acid is mediated with high affinity by folate receptors while the cellular uptake of antifolates, such as MTX, is mediated with high affinity by the reduced folate carriers (RFCs). This study addresses the gene (mRNA) and protein expression levels of FRs and RFCs in the cancer cell lines CaCo-2, SKOV-3, HeLa, MCF-7, A549 and the normal cell line BEAS-2B, quantified by real-time polymerase chain reaction (real-time PCR) and flow cytometry, respectively. From that, four cell lines with different levels of FRs, were chosen for cytotoxicity assays of MTX and CDEnFA:MTX using the MTT assay. Real-time PCR and flow cytometry data demonstrated that all cell lines ubiquitously express moderate levels of RFC. These experiments have also shown that levels of FR protein in CaCo-2 cells are high, while levels in SKOV-3, HeLa and MCF-7 cells are moderate. A549 and BEAS-2B cells express low levels of FR protein. FRs are highly expressed in all the cancer cell lines analysed when compared to the normal cell line BEAS-2B. The cell lines CaCo-2, MCF-7, A549 and BEAS-2B were used in the cell viability assays. 48 hours treatment with the free drug and the complex resulted in IC50 values of 93.9 µM ± 9.2 and 56.0 µM ± 4.0 for CaCo-2 for free MTX and CDEnFA:MTX respectively, 118.2 µM ± 10.8 and 97.8 µM ± 12.3 for MCF-7, 36.4 µM ± 6.9 and 75.0 µM ± 8.5 for A549 and 132.6 µM ± 12.1 and 288.1 µM ± 16.3 for BEAS-2B. These results demonstrate that MTX is more toxic towards cell lines expressing low levels of FR, such as the BEAS-2B. More importantly, these results demonstrate that the inclusion complex CDEnFA:MTX showed greater cytotoxicity than the free drug towards the high FR expressing CaCo-2 cells, indicating that it has potential to target this receptor, enhancing the specificity and the efficiency of the drug.

Keywords: cyclodextrins, cancer treatment, drug delivery, folate receptors, reduced folate carriers

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1601 Proposed Framework based on Classification of Vertical Handover Decision Strategies in Heterogeneous Wireless Networks

Authors: Shidrokh Goudarzi, Wan Haslina Hassan

Abstract:

Heterogeneous wireless networks are converging towards an all-IP network as part of the so-called next-generation network. In this paradigm, different access technologies need to be interconnected; thus, vertical handovers or vertical handoffs are necessary for seamless mobility. In this paper, we conduct a review of existing vertical handover decision-making mechanisms that aim to provide ubiquitous connectivity to mobile users. To offer a systematic comparison, we categorize these vertical handover measurement and decision structures based on their respective methodology and parameters. Subsequently, we analyze several vertical handover approaches in the literature and compare them according to their advantages and weaknesses. The paper compares the algorithms based on the network selection methods, complexity of the technologies used and efficiency in order to introduce our vertical handover decision framework. We find that vertical handovers on heterogeneous wireless networks suffer from the lack of a standard and efficient method to satisfy both user and network quality of service requirements at different levels including architectural, decision-making and protocols. Also, the consolidation of network terminal, cross-layer information, multi packet casting and intelligent network selection algorithm appears to be an optimum solution for achieving seamless service continuity in order to facilitate seamless connectivity.

Keywords: heterogeneous wireless networks, vertical handovers, vertical handover metric, decision-making algorithms

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1600 Hosoya Polynomials of Mycielskian Graphs

Authors: Sanju Vaidya, Aihua Li

Abstract:

Vulnerability measures and topological indices are crucial in solving various problems such as the stability of the communication networks and development of mathematical models for chemical compounds. In 1947, Harry Wiener introduced a topological index related to molecular branching. Now there are more than 100 topological indices for graphs. For example, Hosoya polynomials (also called Wiener polynomials) were introduced to derive formulas for certain vulnerability measures and topological indices for various graphs. In this paper, we will find a relation between the Hosoya polynomials of any graph and its Mycielskian graph. Additionally, using this we will compute vulnerability measures, closeness and betweenness centrality, and extended Wiener indices. It is fascinating to see how Hosoya polynomials are useful in the two diverse fields, cybersecurity and chemistry.

Keywords: hosoya polynomial, mycielskian graph, graph vulnerability measure, topological index

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1599 [Keynote Talk]: Ultrasound Assisted Synthesis of ZnO of Different Morphologies by Solvent Variation

Authors: Durata Haciu, Berti Manisa, Ozgur Birer

Abstract:

ZnO nanoparticles have been synthesized by ultrasonic irradiation from simple linear alcohols and water/ethanolic mixtures, at 50 oC. By changing the composition of the solvent, the shape could be altered. While no product was obtained from methanolic solutions, in ethanol, sheet like lamellar structures prevail.n-propanol and n-butanol resulted in needle like structures. The morphology of ZnO could be thus tailored in a simple way, by varying the solvent, under ultrasonic irradiation, in a relatively less time consuming method. Variation of the morphology and size of Zn also provides a means for modulating the band-gap. Although the chemical effects of ultrasound do not come from direct interaction with molecular species, the high energy derived from acoustic cavitation creates a unique interaction of energy and matter with great potential for synthesis.

Keywords: ultrasound, ZnO, linear alcohols, morphology

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1598 Electrochemical Radiofrequency Scanning Tunneling Microscopy Measurements for Fingerprinting Single Electron Transfer Processes

Authors: Abhishek Kumar, Mohamed Awadein, Georg Gramse, Luyang Song, He Sun, Wolfgang Schofberger, Stefan Müllegger

Abstract:

Electron transfer is a crucial part of chemical reactions which drive everyday processes. With the help of an electro-chemical radio frequency scanning tunneling microscopy (EC-RF-STM) setup, we are observing single electron mediated oxidation-reduction processes in molecules like ferrocene and transition metal corroles. Combining the techniques of scanning microwave microscopy and cyclic voltammetry allows us to monitor such processes with attoampere sensitivity. A systematic study of such phenomena would be critical to understanding the nano-scale behavior of catalysts, molecular sensors, and batteries relevant to the development of novel material and energy applications.

Keywords: radiofrequency, STM, cyclic voltammetry, ferrocene

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1597 Urban Networks as Model of Sustainable Design

Authors: Agryzkov Taras, Oliver Jose L., Tortosa Leandro, Vicent Jose

Abstract:

This paper aims to demonstrate how the consideration of cities as a special kind of complex network, called urban network, may lead to the use of design tools coming from network theories which, in fact, results in a quite sustainable approach. There is no doubt that the irruption in contemporary thought of Gaia as an essential political agent proposes a narrative that has been extended to the field of creative processes in which, of course, the activity of Urban Design is found. The rationalist paradigm is put in crisis, and from the so-called sciences of complexity, its way of describing reality and of intervening in it is questioned. Thus, a new way of understanding reality surges, which has to do with a redefinition of the human being's own place in what is now understood as a delicate and complex network. In this sense, we know that in these systems of connected and interdependent elements, the influences generated by them originate emergent properties and behaviors for the whole that, individually studied, would not make sense. We believe that the design of cities cannot remain oblivious to these principles, and therefore this research aims to demonstrate the potential that they have for decision-making in the urban environment. Thus, we will see an example of action in the field of public mobility, another example in the design of commercial areas, and a third example in the field of redensification of sprawl areas, in which different aspects of network theory have been applied to change the urban design. We think that even though these actions have been developed in European cities, and more specifically in the Mediterranean area in Spain, the reflections and tools could have a broader scope of action.

Keywords: graphs, complexity sciences, urban networks, urban design

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1596 Improvisation of N₂ Foam with Black Rice Husk Ash in Enhanced Oil Recovery

Authors: Ishaq Ahmad, Zhaomin Li, Liu Chengwen, Song yan Li, Wang Lei, Zhoujie Wang, Zheng Lei

Abstract:

Because nanoparticles have the potential to improve foam stability, only a small amount of surfactant or polymer is required to control gas mobility in the reservoir. Numerous researches have revealed that this specific application is in use. The goal is to improve foam formation and foam stability. As a result, the foam stability and foam ability of black rice husk ash were investigated. By injecting N₂ gases into a core flood condition, black rice husk ash was used to produce stable foam. The properties of black rice husk ash were investigated using a variety of characterization techniques. The black rice husk ash was mixed with the best-performing anionic foaming surfactants at various concentrations (ppm). Sodium dodecyl benzene sulphonate was the anionic surfactant used (SDBS). In this article, the N₂ gas- black rice husk ash (BRHA) with high Silica content is shown to be beneficial for foam stability and foam ability. For the test, a 30 cm sand pack was prepared. For the experiment, N₂ gas cylinders and SDBS surfactant liquid cylinders were used. Two N₂ gas experiments were carried out: one without a sand pack and one with a sand pack and oil addition. The black rice husk and SDBS surfactant concentration was 0.5 percent. The high silica content of black rice husk ash has the potential to improve foam stability in sand pack conditions, which is beneficial. On N₂ foam, there is an increase in black rice husk ash particles, which may play an important role in oil recovery.

Keywords: black rice husk ash nanoparticle, surfactant, N₂ foam, sand pack

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1595 A Hybrid Traffic Model for Smoothing Traffic Near Merges

Authors: Shiri Elisheva Decktor, Sharon Hornstein

Abstract:

Highway merges and unmarked junctions are key components in any urban road network, which can act as bottlenecks and create traffic disruption. Inefficient highway merges may trigger traffic instabilities such as stop-and-go waves, pose safety conditions and lead to longer journey times. These phenomena occur spontaneously if the average vehicle density exceeds a certain critical value. This study focuses on modeling the traffic using a microscopic traffic flow model. A hybrid traffic model, which combines human-driven and controlled vehicles is assumed. The controlled vehicles obey different driving policies when approaching the merge, or in the vicinity of other vehicles. We developed a co-simulation model in SUMO (Simulation of Urban Mobility), in which the human-driven cars are modeled using the IDM model, and the controlled cars are modeled using a dedicated controller. The scenario chosen for this study is a closed track with one merge and one exit, which could be later implemented using a scaled infrastructure on our lab setup. This will enable us to benchmark the results of this study obtained in simulation, to comparable results in similar conditions in the lab. The metrics chosen for the comparison of the performance of our algorithm on the overall traffic conditions include the average speed, wait time near the merge, and throughput after the merge, measured under different travel demand conditions (low, medium, and heavy traffic).

Keywords: highway merges, traffic modeling, SUMO, driving policy

Procedia PDF Downloads 99