Search results for: Anna Di Cosmo

Authors: Muhammad Syahir Aminuddin, Zakaria Man, Mohamad Azmi Bustam Khalil

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In order to identify the best possible reaction media for performing H₂S conversion, a total number of 300 different ILs from a combination of 20 cations and 15 anions were screened via COSMO-RS model simulations. By COSMO-RS method, thermodynamic and physicochemical properties of 300 ILs, such as Henry's law constants, activity coefficient, selectivity, capacity, and performance index, are obtained and analyzed. Thus, by comparing the performance of ILs via COSMO-RS, a series of TSILs containing cation of [P66614] with metal chloride anions such as Fe, Ga, and Al were chosen and selected for synthesis based on their performance predicted by COSMO-RS and their economic values. Consequently, the physiochemical properties such as density, viscosity, thermal properties, as well as H₂S absorptive oxidation performances in those TSILs will be systematically investigated.

Keywords: conversion of hydrogen sulfide, hydrogen sulfide, H₂S, sour natural gas, task specific ionic liquids

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Authors: Zulaika Mohd Khasiran

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The capability of ionic liquids in various applications makes them attracted by many researchers. They have potential to be developed as “green” solvents for gas separation, especially H2S gas. In this work, it is attempted to predict the solubility of hydrogen sulfide (H2S) in ILs by COSMO-RS method. Since H2S is a toxic pollutant, it is difficult to work on it in the laboratory, therefore an appropriate model will be necessary in prior work. The COSMO-RS method is implemented to predict the Henry’s law constants and activity coefficient of H2S in 140 ILs with various combinations of cations and anions. It is found by the screening that more H2S can be absorbed in ILs with [Cl] and [Ac] anion. The solubility of H2S in ILs with different alkyl chain at the cations not much affected and with different type of cations are slightly influence H2S capture capacities. Even though the cations do not affect much in solubility of H2S, we still need to consider the effectiveness of cation in different way. The prediction results only show their physical absorption ability, but the absorption of H2S need to be consider chemically to get high capacity of absorption of H2S.

Keywords: H2S, hydrogen sulfide, ionic liquids, COSMO-RS

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Authors: Isaac Mugume, Charles Basalirwa, Daniel Waiswa, Mary Nsabagwa, Triphonia Jacob Ngailo, Joachim Reuder, Sch¨attler Ulrich, Musa Semujju

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The Numerical weather prediction (NWP) models are considered powerful tools for guiding quantitative rainfall prediction. A couple of NWP models exist and are used at many operational weather prediction centers. This study considers two models namely the Consortium for Small–scale Modeling (COSMO) model and the Weather Research and Forecasting (WRF) model. It compares the models’ ability to predict rainfall over Uganda for the period 21st April 2013 to 10th May 2013 using the root mean square (RMSE) and the mean error (ME). In comparing the performance of the models, this study assesses their ability to predict light rainfall events and extreme rainfall events. All the experiments used the default parameterization configurations and with same horizontal resolution (7 Km). The results show that COSMO model had a tendency of largely predicting no rain which explained its under–prediction. The COSMO model (RMSE: 14.16; ME: -5.91) presented a significantly (p = 0.014) higher magnitude of error compared to the WRF model (RMSE: 11.86; ME: -1.09). However the COSMO model (RMSE: 3.85; ME: 1.39) performed significantly (p = 0.003) better than the WRF model (RMSE: 8.14; ME: 5.30) in simulating light rainfall events. All the models under–predicted extreme rainfall events with the COSMO model (RMSE: 43.63; ME: -39.58) presenting significantly higher error magnitudes than the WRF model (RMSE: 35.14; ME: -26.95). This study recommends additional diagnosis of the models’ treatment of deep convection over the tropics.

Keywords: comparative performance, the COSMO model, the WRF model, light rainfall events, extreme rainfall events

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Authors: Tayeb Aissaoui, Inas M. AlNashef

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In recent years, green solvents named deep eutectic solvents (DESs) have been found to possess significant properties and to be applicable in several technologies. Choline chloride (ChCl) mixed with urea at a ratio of 1:2 and 80 °C was the first discovered DES. In this article, chemical structure and combination mechanism of ChCl: urea based DES were investigated. Moreover, the implementation of this DES in water removal from natural gas was reported. Dehydration of natural gas by ChCl:urea shows significant absorption efficiency compared to triethylene glycol. All above operations were retrieved from COSMOthermX software. This article confirms the potential application of DESs in gas industry.

Keywords: COSMO-RS, deep eutectic solvents, dehydration, natural gas, structure, organic salt

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Authors: Debanjan Dey, Tamal Banerjee, Kaustubha Mohanty

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Global scalar properties are calculated based on higher occupied molecular orbital (HOMO) and lower unoccupied molecular orbital (LUMO) energy to study the interaction between ionic liquids with Bituminous and Anthracite coal using density function theory (DFT) method. B3LYP/6-31G* calculation predicts HOMO-LUMO energy gap, electronegativity, global hardness, global softness, chemical potential and global softness for individual compounds with their clusters. HOMO-LUMO interaction, electron delocalization, electron donating and accepting is the main source of attraction between individual compounds with their complexes. Cation used in this study: 1-butyl-1-methylpyrrolidinium [BMPYR], 1-methyl -3-propylimmidazolium [MPIM], Tributylmethylammonium [TMA] and Tributylmethylphosphonium [MTBP] with the combination of anion: bis(trifluromethylsulfonyl)imide [Tf2N], methyl carbonate [CH3CO3], dicyanamide [N(CN)2] and methylsulfate [MESO4]. Basically three-tier approach comprising HOMO/LUMO energy, Scalar quantity and infinite dilution activity coefficient (IDAC) by sigma profile generation with COSMO-RS (Conductor like screening model for real solvent) model was chosen for simultaneous interaction. [BMPYR]CH3CO3] (1-butyl-1-methylpyrrolidinium methyl carbonate) and [MPIM][CH3CO3] (1-methyl -3-propylimmidazolium methyl carbonate ) are the best effective ILs on the basis of HOMO-LUMO band gap for Anthracite and Bituminous coal respectively and the corresponding band gap is 0.10137 hartree for Anthracite coal and 0.12485 hartree for Bituminous coal. Further ionic liquids are screened quantitatively with all the scalar parameters and got the same result based on CH-π interaction which is found for HOMO-LUMO gap. To check our findings IDAC were predicted using quantum chemical based COSMO-RS methodology which gave the same trend as observed our scalar quantity calculation. Thereafter a qualitative measurement is doing by sigma profile analysis which gives complementary behavior between IL and coal that means highly miscible with each other.

Keywords: coal-ionic liquids cluster, COSMO-RS, DFT method, HOMO-LUMO interaction

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Authors: Georgios Alexandropoulos

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The purpose of this study is to examine the historical text of Alexiad by Anna Comnena using computational tools for the extraction of lexical bundles containing the name of her father, Alexius Comnenus. For this reason, in this research we apply corpus linguistics techniques for the automatic extraction of lexical bundles and through them we will draw conclusions about how these lexical bundles serve her support provided to her father.

Keywords: lexical bundles, computational literature, critical discourse analysis, Alexiad

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Authors: Zuzana Poborilova, Anna B. Ohlsson, Torkel Berglund, Anna Vildova, Petr Babula

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Lawsone is a pigment that occurs naturally in plants. It has been used as a skin and hair dye for a long time. Moreover, its different biological activities have been reported. The present study focused on the effect of lawsone on a plant cell model represented by tobacco BY-2 cell suspension culture, which is used as a model comparable with the HeLa cells. It has been shown that lawsone inhibits the cell growth in the concentration-dependent manner. In addition, changes in DNA methylation level have been determined. We observed decreasing level of DNA methylation in the presence of increasing concentrations of lawsone. These results were accompanied with overproduction of reactive oxygen species (ROS). Since epigenetic modifications can be caused by different stress factors, there could be a connection between the changes in the level of DNA methylation and ROS production caused by lawsone.

Keywords: DNA methylation, lawsone, naphthoquinone, reactive oxygen species

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Authors: Robin Devillers, Chantal van Dijk

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Children face ambiguities in everyday language use. Particularly ambiguity in pronoun resolution can be challenging, whereas adults can rapidly identify the antecedent of the mentioned pronoun. Two main factors underlie this process, namely the accessibility of the referent and the syntactic cues of the pronoun. After 200ms, adults have converged the accessibility and the syntactic constraints, while relieving cognitive effort by considering contextual cues. As children are still developing their cognitive capacity, they are not able yet to simultaneously assess and integrate accessibility, contextual cues and syntactic information. As such, they fail to identify the correct referent and possibly fixate more on the competitor in comparison to adults. In this study, Dutch while-clauses were used to investigate the interpretation of pronouns by children. The aim is to a) examine the extent to which 7-10 year old children are able to utilise discourse and syntactic information during online and offline sentence processing and b) analyse the contribution of individual factors, including age, working memory, condition and vocabulary. Adult and child participants are presented with filler-items and while-clauses, and the latter follows a particular structure: ‘Anna and Sophie are sitting in the library. While Anna is reading a book, she is taking a sip of water.’ This sentence illustrates the ambiguous situation, as it is unclear whether ‘she’ refers to Anna or Sophie. In the unambiguous situation, either Anna or Sophie would be substituted by a boy, such as ‘Peter’. The pronoun in the second sentence will unambiguously refer to one of the characters due to the syntactic constraints of the pronoun. Children’s and adults’ responses were measured by means of a visual world paradigm. This paradigm consisted of two characters, of which one was the referent (the target) and the other was the competitor. A sentence was presented and followed by a question, which required the participant to choose which character was the referent. Subsequently, this paradigm yields an online (fixations) and offline (accuracy) score. These findings will be analysed using Generalised Additive Mixed Models, which allow for a thorough estimation of the individual variables. These findings will contribute to the scientific literature in several ways; firstly, the use of while-clauses has not been studied much and it’s processing has not yet been identified. Moreover, online pronoun resolution has not been investigated much in both children and adults, and therefore, this study will contribute to adults and child’s pronoun resolution literature. Lastly, pronoun resolution has not been studied yet in Dutch and as such, this study adds to the languages

Keywords: pronouns, online language processing, Dutch, eye-tracking, first language acquisition, language development

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Authors: Joy Shihyi Huang

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This paper discusses the concept of community in Anna Deavere Smith’s performance, one that challenges and explores existing notions of justice and the other. In contrast to unwavering assumptions of essentialism that have helped to propel a discourse on moral agency within the black community, Smith employs postmodern ideas in which the theatrical attributes of doubling and repetition are conceptualized as part of what Marvin Carlson coined as a ‘memory machine.’ Her dismissal of the need for linear time, such as that regulated by Aristotle’s The Poetics and its concomitant ethics, values, and emotions as a primary ontological and epistemological construct produced by the existing African American historiography, demonstrates an urgency to produce an alternative communal self to override metanarratives in which the African Americans’ lives are contained and sublated by specific historical confines. Drawing on Emmanuel Levinas’ theories in ethics, specifically his notion of ‘proximity’ and ‘the third,’ the paper argues that Smith enacts a new model of ethics by launching an acting method that eliminates the boundary of self and other. Defying psychological realism, Smith conceptualizes an approach to acting that surpasses the mere mimetic value of invoking a ‘likeness’ of an actor to a character, which as such, resembles the mere attribution of various racial or sexual attributes in identity politics. Such acting, she contends, reduces the other to a representation of, at best, an ultimate rendering of me/my experience. She instead appreciates ‘unlikeness,’ recognizes the unavoidable actor/character gap as a power that humbles the self, whose irreversible journey to the other carves out its own image.

Keywords: Anna Deavere Smith, Emmanuel Levinas, other, performance

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Authors: Anna Paola Micheli, Carmelo Intrisano, Anna Maria Calce

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This research focused on the capability of health tourism to improve the economic and financial performance of healthcare companies. It is assumed that health tourism companies have better profitability and financial efficiency because they can also count on cross-border demand differently from no health tourism companies. A three-level gap analysis was conducted: the first concerns health tourism companies located in Italy and in the other EU28 states; in the second Italian and EU28, no health tourism companies were compared; the third level is about the Italian system with a comparison between health tourism and no health tourism companies. Findings highlighted that Italian healthcare companies have better profitability performance if compared to European ones, but they present weaknesses in the financial position given the illiquidity and excessive leverage. Furthermore, studying the Italian system, we found that health tourism companies are more profitable than no health tourism companies.

Keywords: financial performance, gap analysis, health tourism, profitability performance, value creation

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Authors: Przemyslaw J. Jodlowski, Roman J. Jedrzejczyk, Damian K. Chlebda, Anna Dziedzicka, Lukasz Kuterasinski, Anna Gancarczyk, Maciej Sitarz

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The aim of this study was to obtain highly active catalysts based on non-noble metal oxides supported on zirconia prepared via a sonochemical method. In this study, the influence of the stabilizers addition during the preparation step was checked. The final catalysts were characterized by using such characterization methods as X-ray Diffraction (XRD), nitrogen adsorption, X-ray fluorescence (XRF), scanning electron microscopy (SEM) equipped with energy dispersive X-ray spectrometer (EDS), transmission electron microscopy (TEM) and µRaman. The proposed preparation method allowed to obtain uniformly dispersed metal-oxide nanoparticles at the support’s surface. The catalytic activity of prepared catalyst samples was measured in a methane combustion reaction. The activity of the catalysts prepared by the sonochemical method was considerably higher than their counterparts prepared by the incipient wetness method.

Keywords: methane catalytic combustion, nanoparticles, non-noble metals, sonochemistry

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Authors: Shima Pilehvar, Vinh Duy Cao, Anna M. Szczotok, Anna-Lena Kjøniksen

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Micro encapsulated phase change materials (MPCM) may be utilized to increase the energy efficiency of buildings by the addition of MPCM to concrete structures. However, addition of MPCM to Portland cement concrete is known to reduce the compressive strength of the concrete. Accordingly, it is interesting to also examine the effect of adding MPCM to geopolymer concrete. Geopolymer binder is synthesized by mixing aluminosilicate materials in amorphous form with a strong alkali activator, and have a much lower CO2 footprint than Portland cement concrete. In this study, the mechanical properties of fly ash-based geopolymer concrete with different types and contents of MPCM were investigated at different curing temperatures. The aim was to find the optimum amount of MPCM which still maintain the workability and compressive strength at an acceptable level. The results revealed that both workability and compressive strength of geopolymer concrete decrease after adding MPCM. Also, the percentage of strength reduction can be variable by different types of MPCM.

Keywords: compressive strength, concrete, curing, geopolymer, micro-encapsulated PCM

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Authors: Maria Fontenele, Claude-Gilles Dussap, Vincent Dumouilla, Baptiste Boit

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Roquette Frères is a producer of plant-based ingredients that employs many processes to extract relevant molecules and often transforms them through chemical and physical processes to create desired ingredients with specific functionalities. In this context, Roquette encounters numerous multi-component complex systems in their processes, including fibers, proteins, and carbohydrates, in an aqueous environment. To develop, control, and optimize both new and old processes, Roquette aims to develop new in silico tools. Currently, Roquette uses process modelling tools which include specific thermodynamic models and is willing to develop computational methodologies such as molecular dynamics simulations to gain insights into the complex interactions in such complex media, and especially hydrogen bonding interactions. The issue at hand concerns aqueous mixtures of polyols with high dry matter content. The polyols mannitol and sorbitol molecules are diastereoisomers that have nearly identical chemical structures but very different physicochemical properties: for example, the solubility of sorbitol in water is 2.5 kg/kg of water, while mannitol has a solubility of 0.25 kg/kg of water at 25°C. Therefore, predicting liquid-solid equilibrium properties in this case requires sophisticated solution models that cannot be based solely on chemical group contributions, knowing that for mannitol and sorbitol, the chemical constitutive groups are the same. Recognizing the significance of solvation phenomena in polyols, the GePEB (Chemical Engineering, Applied Thermodynamics, and Biosystems) team at Institut Pascal has developed the COSMO-UCA model, which has the structural advantage of using quantum mechanics tools to predict formation and phase equilibrium properties. In this work, we use molecular dynamics simulations to elucidate the behavior of polyols in aqueous solution. Specifically, we employ simulations to compute essential metrics such as radial distribution functions and hydrogen bond autocorrelation functions. Our findings illuminate a fundamental contrast: sorbitol and mannitol exhibit disparate hydrogen bond lifetimes within aqueous environments. This observation serves as a cornerstone in elucidating the divergent physicochemical properties inherent to each compound, shedding light on the nuanced interplay between their molecular structures and water interactions. We also present a methodology to predict the physicochemical properties of complex solutions, taking as sole input the three-dimensional structure of the molecules in the medium. Finally, by developing knowledge models, we represent some physicochemical properties of aqueous solutions of sorbitol and mannitol.

Keywords: COSMO models, hydrogen bond, molecular dynamics, thermodynamics

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Authors: Al Sayed Al Soudy, Valeria Maselli, Gianluca Polese, Anna Di Cosmo

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Cephalopods are considered as a model organism with a rich behavioral repertoire. Sophisticated behaviors were widely studied and described in different species such as Octopus vulgaris, who has evolved the largest and more complex nervous system among invertebrates. In O. vulgaris, cognitive abilities in problem-solving tasks and learning abilities are associated with long-term memory and spatial memory, mediated by highly developed sensory organs. They are equipped with sophisticated eyes, able to discriminate colors even with a single photoreceptor type, vestibular system, ‘lateral line analogue’, primitive ‘hearing’ system and olfactory organs. They can recognize chemical cues either through direct contact with odors sources using suckers or by distance through the olfactory organs. Cephalopods are able to detect widespread waterborne molecules by the olfactory organs. However, many volatile odorant molecules are insoluble or have a very low solubility in water, and must be perceived by direct contact. O. vulgaris, equipped with many chemosensory neurons located in their suckers, exhibits a peculiar behavior that can be provocatively described as 'smell by touch'. The aim of this study is to establish the priority given to chemical vs. visual perception in food choice. Materials and methods: Three different types of food (anchovies, clams, and mussels) were used, and all sessions were recorded with a digital camera. During the acclimatization period, Octopuses were exposed to the three types of food to test their natural food preferences. Later, to verify if food preference is maintained, food was provided in transparent screw-jars with pierced lids to allow both visual and chemical recognition of the food inside. Subsequently, we tested alternatively octopuses with food in sealed transparent screw-jars and food in blind screw-jars with pierced lids. As a control, we used blind sealed jars with the same lid color to verify a random choice among food types. Results and discussion: During the acclimatization period, O. vulgaris shows a higher preference for anchovies (60%) followed by clams (30%), then mussels (10%). After acclimatization, using the transparent and pierced screw jars octopus’s food choices resulted in 50-50 between anchovies and clams, avoiding mussels. Later, guided by just visual sense, with transparent but not pierced jars, their food preferences resulted in 100% anchovies. With pierced but not transparent jars their food preference resulted in 100% anchovies as first food choice, the clams as a second food choice result (33.3%). With no possibility to select food, neither by vision nor by chemoreception, the results were 20% anchovies, 20% clams, and 60% mussels. We conclude that O. vulgaris uses both chemical and visual senses in an integrative way in food choice, but if we exclude one of them, it appears clear that its food preference relies on chemical sense more than on visual perception.

Keywords: food choice, Octopus vulgaris, olfaction, sensory organs, visual sense

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Authors: Hocine Sifaoui

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The manufacture and marketing of the gasoline and diesel without aromatic compounds, particularly nitrogen heteroaromatics and sulfur heteroaromatics, is the main objective of researchers and the petrochemical industry to reply to the requirements of the environmental protection. This work is part of this line of research and for this a triethanolamine/glycerol (TEoA:Gly) deep eutectic solvent (DES), was used to remove two model nitrogen compounds, pyridine and quinoline from n-decane. Experimentally two liquid-liquid equilibrium systems {n-decane + pyridine/quinoline + DES} were measured at 298.15 K and 1.01 bar using the equilibrium cell method. This study aims to evaluate the potential of this DES as sustainable alternative to organic solvents for the denitrogenation of petroleum feedstocks by liquid-liquid extraction. Experimentally, the DES were prepared by the heating method. Accurately weighed triethanolamine as hydrogen bond acceptor (HBA) and glycerol as hydrogen bond donor (HBD), were placed in a round-bottomed flask. An Ohaus Adventurer balance with a precision of ±0.0001 g was used for weighing the HBA and HBD. The mixtures were then stirred and heated at 343.15 K under atmospheric pressure using a rotary evaporator. The preparation was completed when a clear and homogeneous liquid was obtained. To evaluate the equilibrium behaviour of pseudo-ternary systems {n-decane + pyridine or quinoline + DES}, mixtures were prepared with the nitrogenous compound (pyridine or quinoline) at varying mass percentages in the n-decane, along with a fixed (2:1) ratio between the n-decane and DES phases. Defined amounts of these three components were precisely weighed to achieve mixtures within the biphasic region before vigorous stirring at 400 rpm using an Avantor VWR KS 4000 agitator shaker for 4 hours at 298.15 K, followed by overnight settling to attain thermodynamic equilibrium evidenced by phase separation. Aliquot from the upper phase rich in n-decane and the lower phase rich in DES were carefully weighed. The mass of each sample was precisely recorded for quantification by gas chromatography. The DES content was calculated by mass balance after analysing the composition of the other species such as n-decane, pyridine or quinoline. All samples were diluted with pure ethanol before their analysis by GC. Distribution ratios and selectivities toward pyridine and quinoline compounds were also measured at the same phase molar ratios. The consistency and reliability of the experimental data, were verified and validated by the Othmer-Tobias and Batchman correlations. The experimental results show that the highest value of the partition coefficient =7.08 was obtained with pyridine extraction and the highest selectivity S=801.4 was obtained with quinoline extraction. The experimental liquid-liquid equilibrium data of these ternary systems were correlated by using the Non Random Two-Liquids (NRTL) and COnductor-like Screening MOdel for Real Solvents (COSMO-RS) models. A good agreement with the experimental data was observed with NRTL and COSMO-RS models for the two systems. The performance of this DES was compared to those of ionic liquids and organic solvents reported in the literature.

Keywords: piridyne, quinoline, n-decane, deep eutectic solvent

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Authors: Maciej Życki, Anna Kowalik-klimczak, Monika Łożyńska, Wioletta Barszcz, Jolanta Drabik Anna Kowalik-klimczak

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The rapidly changing fashion trends generate huge amounts of leather and textile waste globally. The complexity of these types of waste makes recycling difficult in economic terms. Pyrolysis is suggested for this purpose, which transforms heterogeneous and complex waste into added-value products e.g. active carbons and soil fertilizer. The possibility of using pyrolysis for the valorization of leather and textile waste has been analyzed in this paper. In the first stage, leather and textile waste were subjected to TG/DTG thermogravimetric and DSC calorimetric analysis. These analyses provided basic information about thermochemical transformations and degradation rates during the pyrolysis of these types of waste and enabled the selection of the pyrolysis temperature. In the next stage, the effect of gas type using pyrolysis was investigated on the physicochemical properties, composition, structure, and formation of the specific surfaces of carbonized materials produced by means of a thermal treatment without oxygen access to the reaction chamber. These studies contribute some data about the thermal management and pyrolytic processing of leather and textile waste into useful carbonized materials, according to the circular economy model.

Keywords: pyrolysis, leather and textiles waste, composition and structure of carbonized materials, valorisation of waste, circular economy model

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Authors: Samuel A. Muyiwa

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Religious chauvinism has attained an alarming status in Contemporary Nigerian society. Arguably, Nigeria is the largest economy and most populous nation in Africa with over 182 million people, the advantages offer by vibrant economy and high population have been sacrificed on the altar of religion. Tolerance, sacrifice, humility, compassion, love, justice, trustworthiness, dedication to the well-being of others, and unity are the universal spiritual principles that lie at the heart of any religion either Christianity or Islam even traditional. Whereas traditional religious practices foreground the beliefs, norms and ritual that are related to the sacred being God because of its quick and immediate consequence of its effect, the new-found religious sentiments have deviated from the norms, thus undermining cosmic harmony in Nigeria because of its long-time consequence of its effect. Religion, which is expected to accelerate growth and motivate people to develop spiritual nuances for the betterment of their communities, has, however occasioned conflict and violence in Nigeria socio-political cosmo. Therefore, this study examines the content of religion in the promotion of peace and unity and its contextual missing link in the promotion of conflict and violence in Nigeria.

Keywords: religion chauvinism, Nigeria, conflict, conflict resolution

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Authors: Anna Paola Micheli, Anna Maria Calce, Loris Di Nallo

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Sustainable finance identifies the process that leads, in the adoption of investment decisions, to take into account environmental and social factors, with the aim of orienting investments towards sustainable and long-term activities. Considering that the topic is at the center of the interest of national agendas, long-term investments will no longer be analyzed only by looking at financial data, but environmental, social, and governance (ESG) factors will be increasingly important and will play a fundamental role in determining the risk and return of an investment. Although this perspective does not deny the orientation to profit, ESG mutual funds represent sustainable finance applied to the world of mutual funds. So the goal of this paper is to verify this attitude, in particular in the energy sector. The choice of the sector is not casual: ESG is the acronym for environmental, social, and governance, and energy companies are strictly related to the environmental theme. The methodology adopted leads to a comparison between a sample of ESG funds and a sample of ESG funds with similar characteristics, using the most important indicators of literature: yield, standard deviation, and Sharpe index. The analysis is focused on equity funds. Results that are partial, due to the lack of historicity, show a good performance of ESG funds, testifying how a sustainable approach does not necessarily mean lower profits. It is clear that these first findings do not involve an absolute preference for ESG funds in terms of performance because the persistence of results is requested. Furthermore, these findings are to be verified in other sectors and in bond funds.

Keywords: mutual funds, ESG, performance, energy

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Authors: Hongyan Chen, Megan Jobson, Andrew J. Masters, Maria Gonzalez-Miquel, Simon Halstead, Mayri Diaz de Rienzo

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Ionic liquids offer excellent advantages over conventional solvents for industrial extraction of metals from aqueous solutions, where such extraction processes bring opportunities for recovery, reuse, and recycling of valuable resources and more sustainable production pathways. Recent research on the use of ionic liquids for extraction confirms their high selectivity and low volatility, but there is relatively little focus on how their properties can be best exploited in practice. This work addresses gaps in research on process modelling and simulation, to support development, design, and optimisation of these processes, focusing on the separation of the highly similar transition metals, cobalt, and nickel. The study exploits published experimental results, as well as new experimental results, relating to the separation of Co and Ni using trihexyl (tetradecyl) phosphonium chloride. This extraction agent is attractive because it is cheaper, more stable and less toxic than fluorinated hydrophobic ionic liquids. This process modelling work concerns selection and/or development of suitable models for the physical properties, distribution coefficients, for mass transfer phenomena, of the extractor unit and of the multi-stage extraction flowsheet. The distribution coefficient model for cobalt and HCl represents an anion exchange mechanism, supported by the literature and COSMO-RS calculations. Parameters of the distribution coefficient models are estimated by fitting the model to published experimental extraction equilibrium results. The mass transfer model applies Newman’s hard sphere model. Diffusion coefficients in the aqueous phase are obtained from the literature, while diffusion coefficients in the ionic liquid phase are fitted to dynamic experimental results. The mass transfer area is calculated from the surface to mean diameter of liquid droplets of the dispersed phase, estimated from the Weber number inside the extractor. New experiments measure the interfacial tension between the aqueous and ionic phases. The empirical models for predicting the density and viscosity of solutions under different metal loadings are also fitted to new experimental data. The extractor is modelled as a continuous stirred tank reactor with mass transfer between the two phases and perfect phase separation of the outlet flows. A multistage separation flowsheet simulation is set up to replicate a published experiment and compare model predictions with the experimental results. This simulation model is implemented in gPROMS software for dynamic process simulation. The results of single stage and multi-stage flowsheet simulations are shown to be in good agreement with the published experimental results. The estimated diffusion coefficient of cobalt in the ionic liquid phase is in reasonable agreement with published data for the diffusion coefficients of various metals in this ionic liquid. A sensitivity study with this simulation model demonstrates the usefulness of the models for process design. The simulation approach has potential to be extended to account for other metals, acids, and solvents for process development, design, and optimisation of extraction processes applying ionic liquids for metals separations, although a lack of experimental data is currently limiting the accuracy of models within the whole framework. Future work will focus on process development more generally and on extractive separation of rare earths using ionic liquids.

Keywords: distribution coefficient, mass transfer, COSMO-RS, flowsheet simulation, phosphonium

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Authors: Anna Piasek, Anna Szymkiewicz, Gabriela Wiktor, Jolanta Pulit-Prociak, Marcin Banach

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Carbon dots (CDs) have great potential for application in many fields of science. They are characterized by fluorescent properties that can be manipulated. The nanomaterial has many advantages in addition to its unique properties. CDs may be obtained easily, and they undergo surface functionalization in a simple way. In addition, there is a wide range of raw materials that can be used for their synthesis. An interesting possibility is the use of numerous waste materials of natural origin. In the research presented here, the synthesis of CDs was carried out according to the principles of Green chemistry. Beet molasses was used as a natural raw material. It has a high sugar content. This makes it an excellent high-carbon precursor for obtaining CDs. To increase the fluorescence effect, we modified the surface of CDs with silver (Ag-CDs) nanoparticles. The process of obtaining CQD was based on the hydrothermal method by applying microwave radiation. Silver nanoparticles were formed via the chemical reduction method. The synthesis plans were performed on the Design of the Experimental method (DoE). Variable process parameters such as concentration of beet molasses, temperature and concentration of nanosilver were used in these syntheses. They affected the obtained properties and particle parameters. The Ag-CDs were analyzed by UV-vis spectroscopy. The fluorescence properties and selection of the appropriate excitation light wavelength were performed by spectrofluorimetry. Particle sizes were checked using the DLS method. The influence of the input parameters on the obtained results was also studied.

Keywords: fluorescence, modification, nanosilver, molasses, Green chemistry, carbon dots

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Authors: Klara Królewiak-Detsi, Anna Orylska, Anna Gorgolewska, Marta Boczkowska, Agata Graczykowska

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This study investigates the communication between students and teachers in inclusive education in Poland. Specifically, we examine the communication and interaction of students with special educational needs during online learning compared to traditional face-to-face instruction. Our research questions are (1) how children with special educational needs communicate with their teachers and peers during online learning, and (2) what strategies can improve their communication skills. We conducted five focus groups with: (1) 55 children with special educational needs, (2) 65 typically developing pupils, (3) 28 professionals (psychologists and special education therapists), (4) 16 teachers, and (5) 16 parents of children with special educational needs. Our analysis focused on primary schools and used thematic analysis according to the 6-step procedure of Braun and Clarke. Our findings reveal that children with disabilities faced more difficulties communicating and interacting with others online than in face-to-face lessons. The online tools used for education were not adapted to the needs of children with disabilities, and schools lacked clear guidelines on how to pursue inclusive education online. Based on the results, we offer recommendations for online communication training and tools that are dedicated to children with special educational needs. Additionally, our results demonstrate that typically developing pupils are better in interpersonal relations and more often and effectively use social support. Children with special educational needs had similar emotional and communication challenges compared to their typically developing peers. In conclusion, our study highlights the importance of providing adequate support for the online education of children with special educational needs in inclusive classrooms.

Keywords: Inclusive education, Special educational needs, Social skills development, Online communication

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Authors: Vinh Duy Cao, Shima Pilehvar, Anna M. Szczotok, Anna-Lena Kjøniksen

Abstract:

The total energy consumption is dramatically increasing on over the world, especially for building energy consumption where a significant proportion of energy is used for heating and cooling purposes. One of the solutions to reduce the energy consumption for the building is to improve construction techniques and enhance material technology. Recently, microcapsulated phase change materials (MPCM) with high energy storage capacity within the phase transition temperature of the materials is a potential method to conserve and save energy. A new composite materials with high energy storage capacity by mixing MPCM into concrete for passive building technology is the promising candidate to reduce the energy consumption. One of the most untilized building materials for mixing with MPCM is Portland cement concrete. However, the emission of carbon dioxide (CO2) due to producing cement which plays the important role in the global warming is the main drawback of PCC. Accordingly, an environmentally friendly building material, geopolymer, which is synthesized by the reaction between the industrial waste material (aluminosilicate) and a strong alkali activator, is a potential materials to mixing with MPCM. Especially, the effect of MPCM on the thermal and mechanical properties of geopolymer concrete (GPC) is very limited. In this study, high thermal energy storage capacity materials were fabricated by mixing MPCM into geopolymer concrete. This article would investigate the effect of MPCM concentration on thermal and mechanical properties of GPC. The target is to balance the effect of MPCM on improving the thermal performance and maintaining the compressive strength of the geopolymer concrete at an acceptable level for building application.

Keywords: microencapsulated phase change materials, geopolymer concrete, energy storage capacity, thermal performance

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Authors: Anna Słupik, Patryk Wąsowski, Anna Mosiołek, Dariusz Białoszewski

Abstract:

Introduction: Kinesiology Taping is one of the most popular techniques used for treatment and supporting physiological processes in sports medicine and physiotherapy. Often it is used to sensorimotor skills of lower limbs by athletes. The aim of the study was to determine the effect of the application of muscle Kinesiology Taping to feel the position setting in motion the joint active. Material and methods: The study involved 50 healthy people between 18 and 30 years of age, 30 men and 20 women (mean age 23.24 years). The participants were divided into two groups. The study group was qualified for Kinesiology Taping application (muscle application, type Y, for quadriceps femoris muscle), while the remaining people used the application made of plaster (placebo group). Testing was performed prior to applying taping, with the applied application (after 30 minutes), then 24 hours after wearing, and after removing the tape. Each evaluated joint position sense - Error of Active Reproduction of Joint Position. Results: The survey revealed no significant differences in measurement between the study group and the placebo group (p> 0.05). No significant differences in time taking into account all four measurements in the group with the applied CT application, which was supported by pairs (p> 0.05). Also in the placebo group showed no significant differences over time (p> 0.05). There was no significant difference between the errors committed in the direction of flexion and extension. Conclusions: 1. Application muscle Kinesiology Taping had no significant effect on the knee joint proprioception. Its use in order to improve sensorimotor seems therefore unjustified. 2. There are no differences between applications Kinesiology Taping and placebo indicates that the clinical effect of stretch tape is minimal or absent. 3. The results are the basis for the continuation of prospective, randomized trials of numerous and study group.

Keywords: joint position sense, kinesiology taping, knee joint, proprioception

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Authors: Gramza-Michalowska Anna, Skrety Joanna, Kobus-Cisowska Joanna, Kmiecik Dominik, Korczak Jozef, Anna Zywica

Abstract:

Background: Recent research presented many evidences confirming that food besides its basic nutritional function, possess significant therapeutic and prophylactic potential. Conscious consumer is aware of diet habits and well being lifestyle influencing a proper functioning that is why there is a need of new pro-health products. Objective: Proposition of the technology of unsweetened almond drinks enriched with plant extracts for pro-health oriented individuals. Research investigated the influence of selected plant extracts addition on antioxidative activity and consumer’s acceptance of drinks as all day diet product representatives. Methods: The analysis of the basic composition and antioxidant properties of the almond drink was conducted. Research included analysis of basic composition (protein, lipids and fiber content) and antioxidant capacity of drink (DPPH, ABTS, ORAC value, and FRAP). Proposed drink was also characterized with sensory analysis, including color, aroma, taste, consistency, and overall acceptance. Results: Results showed that addition of plant extracts into an almond drink allowed to improve its antioxidant capacity and sensory value of the drinks. Profitable composition and pro-health properties of designed drink permits offering healthy product for all day consumption. Conclusion: Designed almond drink would be a significant supplement for pro-healthy life style of the consumers. Results showed that plant extracts enriched almond drink would be a good source of antioxidants and accepted by the consumers.

Keywords: phytonutrients, pro-health, almond, wellbeing, antioxidant potential, sensory value

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Authors: Tadeusz Nowicki, Radosław Pytlak, Robert Waszkowski, Jerzy Bertrandt, Anna Kłos

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This paper presents methods for formal modeling of activities in the area of sanitary inspectors outbreak of food-borne diseases. The models allow you to measure the characteristics of the activities of sanitary inspection and as a result allow improving the performance of sanitary services and thus food security.

Keywords: food-borne disease, epidemic, sanitary inspection, mathematical models

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Authors: Gramza-Michalowska Anna, Skrety Joanna, Anna Zywica, Kobus-Cisowska Joanna, Kmiecik Dominik, Korczak Jozef

Abstract:

Background: Modern consumer highly appreciates the positive influence of consumed products on well-being and overall health. High acceptance of new food is a result of intensified research showing many proofs confirming that food offers significant prophylactic and therapeutic potential, next to its basic nutritional function. Objective: Proposition of the technology of unsweetened oat drinks enriched with plant extracts for pro-health oriented individuals. We investigated the effects of selected plant extracts addition on antioxidative capacity and consumer’s acceptance of drinks as representative of all day diet product. Methods: The analysis of the basic composition and antioxidant properties of the drinking product was conducted. Basic composition included protein, lipids and fiber content. Antioxidant capacity of drink was evaluated with use radical scavenging methods (DPPH, ABTS), ORAC value and FRAP. Proposed drink as new product was also characterized with sensory analysis, which included color, aroma, taste, consistency and overall acceptance. Results: Results showed that addition of plant extracts into a oat drink allowed to enhance its antioxidant potential and influenced significantly its sensory values. The preferred composition and properties of designed beverage permit claim that it can have a positive impact on the health of the consumers. Conclusion: Designed oat drink would be an answer for pro-healthy life style of the consumers. Results showed that product with plant extracts addition would be accepted by the consumers and because of its antioxidative potential could be an important factor in prevention of free radicals influence on human organism.

Keywords: phytonutrients, pro-health, well-being, antioxidant potential, sensory value

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Authors: Anna Juliet Stephens

Abstract:

This research emphasises the importance of incorporating traditional ecological knowledge into Peru’s development plans, as a way to manage some of the more adverse impacts of globalisation which continue to impinge on one of the world’s most biodiverse regions. In doing so, it argues for a development strategy to be implemented in the Peruvian Amazon which prioritises local and indigenous rights, needs and perspectives.

Keywords: traditional ecological knowledge, peruvian amazon, globalisation, indigenous, development

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Authors: Vinh Duy Cao, Carlos Salas-Bringas, Anna M. Szczotok, Marianne Hiorth, Anna-Lena Kjøniksen

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The increasing cost of energy supply for the purposes of heating and cooling creates a demand for more energy efficient buildings. Improved construction techniques and enhanced material technology can greatly reduce the energy consumption needed for the buildings. Microencapsulated phase change materials (MPCM) suspensions utilized as heat transfer fluids for energy storage and heat transfer applications provide promising potential solutions. A full understanding of the flow and thermal characteristics of microcapsule suspensions is needed to optimize the design of energy storage systems, in order to reduce the capital cost, system size, and energy consumption. The MPCM suspensions exhibited pseudoplastic and thixotropic behaviour, and significantly improved the thermal performance of the suspensions. Three different models were used to characterize the thixotropic behaviour of the MPCM suspensions: the second-order structural, kinetic model was found to give a better fit to the experimental data than the Weltman and Figoni-Shoemaker models. For all samples, the initial shear stress increased, and the breakdown rate accelerated significantly with increasing concentration. The thermal performance and rheological properties, especially the selection of rheological models, will be useful for developing the applications of microcapsules as heat transfer fluids in thermal energy storage system such as calculation of an optimum MPCM concentration, pumping power requirement, and specific power consumption. The effect of temperature on the shear thinning properties of the samples suggests that some of the phase change material is located outside the capsules, and contributes to agglomeration of the samples.

Keywords: latent heat, microencapsulated phase change materials, pseudoplastic, suspension, thixotropic behaviour

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Authors: Olaide O. Wahab, Lukman O. Olasunkanmi, Krishna K. Govender, Penny P. Govender

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The economic and environmental challenges associated with azo disperse dyes applications are due to poor aqueous solubility and low degradation tendency which stems from low chemical reactivity. Poor aqueous solubility property of this group of dyes necessitates the use of dispersing agents which increase operational costs and also release toxic chemical components into the environment, while their low degradation tendency is due to the high stability of the azo functional group (-N=N-) in their chemical structures. To address these problems, this study investigated theoretically the effects of some polar substituents on the aqueous solubility and reactivity properties of disperse yellow (DY) 119 dye with a view to theoretically develop new azo disperse dyes with improved solubility in water and higher degradation tendency in the environment using DMol³ computational code. All calculations were carried out using the Becke and Perdew version of Volsko-Wilk-Nusair (VWN-BP) level of density functional theory in conjunction with double numerical basis set containing polarization function (DNP). The aqueous solubility determination was achieved with conductor-like screening model for realistic solvation (COSMO-RS) in conjunction with known empirical solubility model, while the reactivity was predicted using frontier molecular orbital calculations. Most of the new derivatives studied showed evidence of higher aqueous solubility and degradation tendency compared to the parent dye. We conclude that these derivatives are promising alternative dyes for more economic and environmental benign dyeing practice and therefore recommend them for synthesis.

Keywords: aqueous solubility, azo disperse dye, degradation, disperse yellow 119, DMol³, reactivity

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Authors: Sara Salehi, Ka Yu Cheng, Anna Heitz, Maneesha Ginige

Abstract:

This study investigated the efficiency of granular sludge for phosphorous (P) recovery from wastewater. A laboratory scale sequencing batch reactor (SBR) was operated under alternating aerobic/anaerobic conditions to enrich a P accumulating granular biomass. This study showed that an overall 45-fold increase in P concentration could be achieved by reducing the volume of the P capturing liquor by 5-fold in the anaerobic P release phase. Moreover, different fractions of the granular biomass have different individual contributions towards generating a concentrated stream of P.

Keywords: granular sludge, PAOs, P recovery, SBR

Procedia PDF Downloads 483