Search results for: bond ball mill

Authors: Manel Boulakoud, Abdelkader Chouaih, Fodil Hamzaoui

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In the present work we are interested in the determination of the Molecular electrostatic potential (MEP) in Z-3N(2-Ethoxyphenyl), 2-N’(2-Ethoxyphenyl) imino thiazolidin-4-one molecule by ab initio and Density Functional Theory (DFT) in the ground state. The MEP is related to the electronic density and is a very useful descriptor in understanding sites for electrophilic attack and nucleophilic reactions as well as hydrogen bonding interactions. First, geometry optimization was carried out using Hartree–Fock (HF) and DFT methods with 6-311G(d,p) basis set. In order to get more information on the molecule, its stability has been analyzed by natural bond orbital (NBO) analysis. Mulliken population analyses have been calculated. Finally, the molecular electrostatic potential (MEP) and HOMO-LUMO energy levels have been performed. The calculated HOMO and LUMO energies show also the charge transfer within the molecule. The energy gap obtained is about 4 eV which explain the stability of the studied compound. The obtained molecular electrostatic potential from the two methods confirms the nature of the electron charge transfer at the molecular shell and locate the electropositive part and the electronegative part in molecular scale of the title compound.

Keywords: DFT, ab initio, HOMO-LUMO, organic compounds

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Authors: Reihaneh Mahdavishahri

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This paper provides a brief introduction to emotionally focused therapy (EFT) and its culturally sensitive and informed application when working with immigrant couples. EFT's grounding in humanistic psychology prioritizes a non-pathologizing and empathic understanding of individuals' experiences, creating a safe space for couples to explore and create new experiences without imposing judgment or prescribing the couple "the right way of interacting" with one another. EFT's emphasis on attachment, bonding, emotions, and corrective emotional experiences makes it a fitting approach to work with multicultural couples, allowing for the corrective emotional experience to be shaped and informed by the couples' unique cultural background. This paper highlights the challenges faced by immigrant couples and explores how immigration adds a complex layer to each partner’s sense of self, their attachment bond, and their sense of safety and security within their relationships. Navigating a new culture, creating a shared sense of purpose, and re-establishing emotional bonds can be daunting for immigrant couples, often leading to a deep sense of disconnection and vulnerability. Reestablishing and fostering secure attachment between the partners in the safety of the therapeutic space can be a protective factor for these couples.

Keywords: attachment, culturally informed care, emotionally focused therapy, immigration

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Authors: Hany R. Ammar, Khalil A. Khalil, El-Sayed M. Sherif

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The as-received metal powders were used to synthesis bulk nanocrystalline Al; Al-10%Cu; and Al-10%Cu-5%Ti alloys using mechanical alloying and high frequency induction heat sintering (HFIHS). The current study investigated the influence of milling time and ball-to-powder (BPR) weight ratio on the microstructural constituents and mechanical properties of the processed materials. Powder consolidation was carried out using a high frequency induction heat sintering where the processed metal powders were sintered into a dense and strong bulk material. The sintering conditions applied in this process were as follow: heating rate of 350°C/min; sintering time of 4 minutes; sintering temperature of 400°C; applied pressure of 750 Kgf/cm2 (100 MPa); cooling rate of 400°C/min and the process was carried out under vacuum of 10-3 Torr. The powders and the bulk samples were characterized using XRD and FEGSEM techniques. The mechanical properties were evaluated at various temperatures of 25°C, 100°C, 200°C, 300°C and 400°C to study the thermal stability of the processed alloys. The bulk nanocrystalline Al; Al-10%Cu; and Al-10%Cu-5%Ti alloys displayed extremely high hardness values even at elevated temperatures. The Al-10%Cu-5%Ti alloy displayed the highest hardness values at room and elevated temperatures which are related to the presence of Ti-containing phases such as Al3Ti and AlCu2Ti, these phases are thermally stable and retain the high hardness values at elevated temperatures up to 400ºC.

Keywords: nanocrystalline aluminum alloys, mechanical alloying, hardness, elevated temperatures

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Authors: Charizza D. Montarin, Daryl Jae S. Sigue, Gilford Estores

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Philippines was moderately vulnerable to corrosion and to prevent this problem, surface coating should be applied. The main objective of this research was to develop and optimize a bio-based mixture of Pili Resin and Lime as Coating Materials. There are three (3) factors to be considered in choosing the best coating material such as chemical adhesion, friction, and the bearing/shear against the steel bar-concrete interface. Fortunately, both proportions of the Bio-based coating materials (50:50 and 65:35) do not have red rust formation complying with ASTM B117 but failed in terms of ASTM D 3359. Splitting failures of concrete were observed in the Unconfined Reinforced Concrete Samples. All of the steel bars (uncoated and coated) surpassed the Minimum Bond strength (NSCP 2015) about 203% to 285%. The experiments were about 1% to 3% of the results from the ANSYS Simulations with and without Salt Spray Test. Using the bio-based and epoxy coatings, normal splitting strengths were declined. However, there has no significant difference between the results. Thus, the bio-based coating materials can be used as an alternative for the epoxy coating materials and it was highly recommended for Low – Rise Building only.

Keywords: Canarium luzonicum, calcium oxide, corrosion, finite element simulations

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Authors: Syazwani Idrus, Charles Banks, Sonia Heaven

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The effect of osmotic stress was carried out to determine the ability for biogas production in two types of digesters; anaerobic sludge blanket and anaerobic filters in treating wheat straw washed water. Two anaerobic filters (AF1 and 2) and two UASB reactors (U1 and 2) with working volumes of 1.5 L were employed at mesophilic temperatures (37°C). Digesters AF1 and two were seeded with an inoculum which had previously been fed on with a synthetic wastewater includingSodium Chloride and Potassium Chloride. Digesters U1 and two were seeded with 1 kg wet weight of granular sludge which had previously been treating paper mill effluent. During the first 48 days, all digesters were successfully acclimated with synthetic wastewater (SW) to organic loading rate (OLR) of 6 g COD l^-1 day-1. Specific methane production (SMP) of 0.333 l CH4 g-1 COD). The feed was then changed to wash water from a washing operation to reduce the salt content of wheat straw (wheat straw wash water, WSW) at the same OLR. SMP fell sharply in all reactors to less than 0.1 l CH4 g^-1 COD, with the AF affected more than the UASB. The OLR was reduced to 2.5 g COD l^-1 day^-1 to allow adaptation to WSW, and both the UASB and the AF reactors achieved an SMP of 0.21 l CH4 g^-1 COD added at 82% of COD removal. This study also revealed the accumulation of potassium (K) inside the UASB granules to a concentration of 4.5 mg K g^-1 wet weight of granular sludge. The phenomenon of lower SMP and accumulation of K indicates the effect of osmotic stress when fed on WSW. This finding is consistent with the theory that methanogenic organisms operate a Potassium pump to maintain ionic equilibrium, and as this is an energy-driven process, it will, therefore, reduce the overall methane yield.

Keywords: wheat straw wash water, upflow anaerobic sludge blanket, anaerobic filter, specific methane production, osmotic stress

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Authors: E. Osorio Schmied

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Architects commonly attempt a depiction of organic forms when their works are inspired by nature, regardless of the building site. Nevertheless it is also possible to try matching structures with natural scenery, by applying a phenomenological approach in terms of spatial operations, regarding perceptions from nature through architectural aspects such as protection, views, and orientation. This method acknowledges a relationship between place and space, where intentions towards tangible facts then become design statements. Although spaces resulting from such a process may present an effective response to the environment, they can also offer further outcomes beyond the realm of form. The hypothesis is that, in addition to recognising a bond between architecture and nature, it is also plausible to associate such perceptions with the inner ambient of buildings, by analysing features such as daylight. The case study of a single-family house in a rainforest near Valdivia, Chilean Patagonia is presented, with the intention of addressing the above notions through a discussion of the actual effects of inhabiting a place by way of a series of insights, including a revision of diagrams and photographs that assist in understanding the implications of this design practice. In addition, figures based on post-occupancy behaviour and daylighting performance relate both architectural and environmental issues to a decision-making process motivated by the observation of nature.

Keywords: architecture, design statements, nature, perception

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Authors: Hamed Yousefi, Farnaz Mohammadi, Niloufar Mirian, Navid Amini

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Investigating possible capacities of visual functions where adapted mechanisms can enhance the capability of sports trainees is a promising area of research, not only from the cognitive viewpoint but also in terms of unlimited applications in sports training. In this paper, the visual evoked potential (VEP) and event-related potential (ERP) signals of amateur and trained volleyball players in a pilot study were processed. Two groups of amateur and trained subjects are asked to imagine themselves in the state of receiving a ball while they are shown a simulated volleyball field. The proposed method is based on a set of time-frequency features using algorithms such as Gabor filter, continuous wavelet transform, and a multi-stage wavelet decomposition that are extracted from VEP signals that can be indicative of being amateur or trained. The linear discriminant classifier achieves the accuracy, sensitivity, and specificity of 100% when the average of the repetitions of the signal corresponding to the task is used. The main purpose of this study is to investigate the feasibility of a fast, robust, and reliable feature/model determination as a neurofeedback parameter to be utilized for improving the volleyball players’ performance. The proposed measure has potential applications in brain-computer interface technology where a real-time biomarker is needed.

Keywords: visual evoked potential, time-frequency feature extraction, short-time Fourier transform, event-related spectrum potential classification, linear discriminant analysis

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Authors: Haizhi Wu

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Sexualization brings together the interdependent experiences of prostitution and diaspora, establishing a masculine structure where a female’s body mediates the hegemony and sexuality of men from different races. Between eroticism and homesickness, writers of the Chinese diaspora develop sensual approaches to reflect on the diasporic experience and sexual frustration. Noticeably, Yu Dafu in Sinking and Yan Geling in The Lost Daughter of Happiness both take an interest in sexual encounters between an immature teen client and an erotically powerful prostitute in Japan or America, both countries considered colonizers in Chinese history. Both are utilizing the metaphor of body-space interplay to hint at the out-of-text transnational interactions, two writers, however, present distinct understandings of their bond with history and memory of the semi-colonial, semi-feudal China. Examining prostitutes’ bodies in multi-layer diasporic spaces, the central analysis of this essay works on the sexual, colonial, and historical representations of this bodily symbol and the prostitution’s engagement in negotiating with diaspora and “Chineseness”.

Keywords: Chineseness, diasporic spaces, prostitutes’ bodies, sexualization

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Authors: Abhinandan Singh Gill

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Paper mill sludge is one of the major economic and environmental problems for paper and board industry, million tonnes quantity of sludge is produced in the world. It is essential to dispose these wastes safely without affecting health of human being, environment, fertile land; sources of water bodies, economy as it adversely affect the strength, durability and other properties of building materials based on them. Moreover, in developing countries like India where there is low availability of non-renewable resources and large need of building material like cement therefore it is essential to develop eco-efficient utilization of paper sludge. Primarily in functional terms paper sludge comprises of cellulose fibers, calcium carbonate, china clay, low silica, residual chemical bonds with water. The material is sticky and full of moisture content which is hard to dry. The manufacturing of paper usually produce loads of solid waste. These paper fibers are recycled in paper mills to limited number of times till they become weak to produce high quality paper. Thereafter, these left out small and weak pieces called as low quality paper fibers are detached out to become paper sludge. The material is by-product of de-inking and re-pulping of paper. This hypo sludge includes all kinds of inks, dyes, coating etc inscribed on the paper. This paper presents an overview of the published work on the use of hypo sludge in M25 concrete formulations as a supplementary cementitious material exploring its properties such as compressive strength, splitting and parameters like modulus of elasticity, density, applications and most importantly investigation of low cost concrete by using hypo sludge are presented.

Keywords: concrete, sludge waste, hypo sludge, supplementary cementitious material

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Authors: Amanda Noble

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The process of exiting/escaping situations of sex trafficking can be arduous and fraught with numerous barriers. In this paper the results of a national Canadian study on escaping situations of sex trafficking is discussed. Surveys and focus groups were conducted with 201 stakeholders in 8 cities, including 50 survivors of sex trafficking, service providers, health care providers and police. The results show that survivors are both vulnerable to being exploited and experience barriers to exiting as a result of structural factors such as colonialism, poverty, and discrimination based on race and gender. Survivors also face numerous barriers within various systems such as child welfare and the legal system. In addition, survivors contend with multiple psychological and psychosocial factors when exiting including the trauma bond, complex trauma and mental health concerns, substance use, isolation, and adjusting to ‘mainstream’ life. In light of these factors, the service needs of survivors escaping sex trafficking are discussed, and promising practices, such as trauma-informed practice and working from a stages of change model are outlined. This paper is useful for service providers that work with survivors, policy makers, or anyone who has ever wondered why survivors that are not being physically detained don’t ‘just leave’ or escape their exploitative situations.

Keywords: Barriers, Exiting, Promising Practices, Sex Trafficking

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Authors: Abdul Majid, Alia Jabeen, Nimra Zulifqar

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The inorganic molecular crystal (IMCs) due to their unusual structure has grabbed a lot of attention due to anisotropy in crystal structure. The IMCs consist of the molecular structures joined together via weak forces. Therefore, a difference between the bonding between the inter-cage and intra-cage interactions exists. To look closely at the bonding and interactions, we investigated interactions between two cages of Sb2O3 structure. The interactions were characterized via Extended Transition State-Natural Orbital for Chemical Valence-method (ETS-NOCV), Natural Bond Orbitals (NBO) and Quantum Theory of Atoms in Molecules (QTAIM). The results revealed strong intra-cage covalent bonding while weak van der Waals (vdWs) interactions along inter-cages exits. This structure cannot be termed as layered material although they have anisotropy in bonding and presence of weak vdWs interactions but its bulk is termed as inorganic layered clusters. This is due to the fact that the free standing sheet/films with these materials are not possible. This type of structures may be the most feasible to be used for the system to deal with high pressures and stress bearing materials.

Keywords: inorganic molecular crystals, density functional theory, cages, interactions

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Authors: Chintan Chandrachud

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When primary legislation is challenged for breaching fundamental rights, many courts around the world adopt interpretive techniques to avoid finding such legislation incompatible or invalid. In the UK, these techniques find sanction in section 3 of the Human Rights Act 1998, which directs courts to interpret legislation in a manner which is compatible with European Convention rights, ‘so far as it is possible to do so’. In India, courts begin with the interpretive presumption that Parliament intended to comply with fundamental rights under the Constitution of 1949. In comparing rights-compliant interpretation of primary legislation under the Human Rights Act and the Indian Constitution, this paper makes two arguments. First, that in the absence of a section 3-type mandate, Indian courts have a smaller range of interpretive tools at their disposal in interpreting primary legislation in a way which complies with fundamental rights. For example, whereas British courts frequently read words into statutes, Indian courts consider this an inapposite interpretive technique. The second argument flows naturally from the first. Given that Indian courts have a smaller interpretive toolbox, one would imagine that ceteris paribus, Indian courts’ power to strike down legislation would be triggered earlier than the declaration of incompatibility is in the UK. However, this is not borne out in practice. Faced with primary legislation which appears to violate fundamental rights, Indian courts often reluctantly uphold the constitutionality of statutes (rather than striking them down), as opposed to British courts, which make declarations of incompatibility. The explanation for this seeming asymmetry hinges on the difference between the ‘strike down’ power and the declaration of incompatibility. Whereas the former results in the disapplication of a statute, the latter throws the ball back into Parliament’s court, if only formally.

Keywords: constitutional law, judicial review, constitution of India, UK Human Rights Act

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Authors: Lourens Millard, Gerrit Jan Breukelman, Nonkululeko Mathe

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Aim: The research aims to investigate the differences in visio-spatial skills (VSS) between athletes and non-athletes, as well as variations across sports, presenting conflicting findings. Therefore, the objective of this study was to determine if there exist significant differences in visio-spatial intelligence skills between rugby players and netball players, and whether such disparities are present when comparing both groups to non-athletes. Methods: Participants underwent an optometric assessment, followed by an evaluation of VSS using six established tests: the Hart Near Far Rock, saccadic eye movement, evasion, accumulator, flash memory, and ball wall toss tests. Results: The results revealed that rugby players significantly outperformed netball players in speed of recognition, peripheral awareness, and hand-eye coordination (p=.000). Moreover, both rugby players and netball players performed significantly better than non-athletes in five of the six tests (p=.000), with the exception being the visual memory test (p=.809). Conclusion: This discrepancy in performance suggests that certain VSS are superior in athletes compared to non-athletes, highlighting potential implications for theories of vision, test selection, and the development of sport-specific VSS testing batteries. Furthermore, the use of a hand-eye coordination-specific VSS test battery effectively differentiated between different sports. However, this pattern was not consistent across all VSS tests, indicating that further research should explore the training methods employed by both sports, as these factors may contribute to the observed differences.

Keywords: visio-spatial intelligence (VSI), rugby vision, netball vision, visual skills, sport vision.

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Authors: C. K. Kishore Kumar, B. P. Aruna

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We have made an attempt to analyze the role of sports in the contemporary society. This paper critically analyses how developed as well as developing countries spend huge amount of money every year in conducting various sports and games, development of sports infrastructure, manufacturing of sports equipment and get into bidding to organize international events like Olympic, World Cup games like foot ball, soccer, tennis etc., Throughout the world, Sports and Commerce have joined together. Sports in today’s world has become a large profit making industry. An attempt is further made to understand that the players or sports persons are only a small part of this huge industry, more than the players, there are various other people, corporations, Nation as a whole who are making huge profits from the sports industry. This industrialization has indeed changed the whole scenario of sports. Top level sports are purely a business nowadays and so fans are sucked into believing they are part of their club. In reality they are merely cash cows to be milked by a greedy, grasping and corrupt business that cares nothing but making money. In no previous time period have we seen the type of growth in the commercialization of sports that we have seen in the last 3 decades. Athletes are leveled with prize money and/or appearances fees so much so, that injuries may be ignored, educational opportunities are put aside in the quest for success which is ultimately money. Industrialization and commercialization of sports has taken a key role in the economic development of the country. The purpose of this paper is to explore as to how sports once considered as a leisure time activity has become an activity for money and in turn has taken a lead role in the economic development of a country.

Keywords: contemporary society, economic development, industrialization of sports, commercialization of sports, leisure time activity

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Authors: Zihua Wu, Yueming He, Xiaoxiao Yu, Yuanyuan Wang, Huaqing Xie

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The match of Solar thermoelectric generator (STEG) and phase change materials (PCM) can enhance the solar energy storage and reduce environmental impact from the day-and-night transformation and weather changes. This work utilizes D-mannitol (DM) matrix as the suitable PCM for coupling with thermoelectric generator to achieve the middle-temperature solar energy storage performance at 165℃-167℃. DM/MWCNT composite phase change materials prepared by ball milling not only can keep a high phase change enthalpy of DM material but also have great photo-thermal conversion efficiency of 82%. Based on the self-made storage device container, the effect of PCM thickness on the solar energy storage performance is further discussed and analyzed. The experimental results prove that PCM-STEG coupling system can output more electric energy than pure STEG system because PCM can decline the heat transfer and storage thermal energy to further generate the electric energy through thermal-to-electric conversion when the light is removed. The increase of PCM thickness can reduce the heat transfer and enhance thermal storage, and then the power generation performance of PCM-STEG coupling system can be improved. As the increase of light intensity, the output electric energy of the coupling system rises accordingly, and the maximum amount of electrical energy can reach by 113.85 J at 1.6 W/cm2. The study of the PCM-STEG coupling system has certain reference for the development of solar energy storage and application.

Keywords: solar energy, solar thermoelectric generator, phase change materials, solar-to-electric energy, DM/MWCNT

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Authors: Zainab Bibi, Afsheen Aman, Shah Ali Ul Qader

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Endo-β-1,4-xylanases [EC 3.2.1.8] are one of the major groups of enzymes that are involved in degradation process of xylan and have several applications in food, textile and paper processing industries. Due to broad utility of endo-β-1,4-xylanase, researchers are focusing to increase the productivity of this hydrolase from various microbial species. Harsh industrial condition, faster reaction rate and efficient hydrolysis of xylan with low risk of contamination are critical requirements of industry that can be fulfilled by synthesizing the enzyme with efficient properties. In the current study, a newly isolated thermophile Geobacillus stearothermophilus KIBGE-IB29 was used in order to attain the maximum production of endo-1,4-β-xylanase. Bacterial culture was isolated from soil, collected around the blast furnace site of a steel processing mill, Karachi. Optimization of various nutritional and physical factors resulted the maximum synthesis of endo-1,4-β-xylanase from a thermophile. High production yield was achieved at 60°C and pH-6.0 after 24 hours of incubation period. Various nitrogen sources viz. peptone, yeast extract and meat extract improved the enzyme synthesis with 0.5%, 0.2% and 0.1% optimum concentrations. Dipotassium hydrogen phosphate (0.25%), potassium dihydrogen phosphate (0.05%), ammonium sulfate (0.05%) and calcium chloride (0.01%) were noticed as valuable salts to improve the production of enzyme. The thermophilic nature of isolate, with its broad pH stability profile and reduced fermentation time indicates its importance for effective xylan saccharification and for large scale production of endo-1,4-β-xylanase.

Keywords: geobacillus, optimization, production, xylanase

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Authors: Brian J. Graham, Ronald T. Raines

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The presence of a nearly vacant p orbital on boron endows boronic acids with unique abilities as a catalyst and ligand. An organocatalytic process has been developed for the conversion of biomass-derived sugars to 5-hydroxymethylfurfural, which is a platform chemical. Specifically, 2-carboxyphenylboronic acid (2-CPBA) has been shown to be an optimal catalyst for this process, promoting the desired transformation in the absence of metals. The attributes of 2-CPBA as a catalyst led to additional investigations of its structure and reactivity. 2-CPBA was found to exist as a cyclized benzoxaborolone adduct rather than a free carboxylic acid. This cyclization has profound consequences for the oxidative stability of the boronic acid. Stereoelectronic effects within the oxaborolone ring destabilize the oxidation transition state by reducing electron donation from the cyclic oxygen to the developing p orbital on boron. That leads to a 10,000-fold increase in oxidative stability while maintaining the normal reactivity of boronic acids toward diols (e.g., carbohydrates) and nucleophiles in proteins while also presenting numerous hydrogen-bond accepting and donating groups. Thus, benzoxaborolones are useful in catalysis, chemical biology, medicinal chemistry, and allied fields.

Keywords: bioisosteres, boronic acid, catalysis, oxidative stability, pharmacophore, stereoelectronic effects

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Authors: I. Miličević, M. Hadzima Nyarko, R. Bušić, J. Simonović Radosavljević, M. Prokopijević, K. Vojisavljević

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This paper investigates the effects of different treatment methods of rubber aggregates for self-compacting concrete (SCC) on compressive strength and modulus of elasticity. SCC mixtures with 10% replacement of fine aggregate with crumb rubber by total aggregate volume and with different aggregate treatment methods were investigated. The rubber aggregate was treated in three different methods: dry process, water-soaking, and NaOH treatment plus water soaking. Properties of SCC in a fresh and hardened state were tested and evaluated. Scanning electron microscope (SEM) analysis of three different SCC patches were made and discussed. It was observed that applying the proposed NaOH plus water soaking method resulted in the improvement of fresh and hardened concrete properties. It resulted in a more uniform distribution of rubber particles in the cement matrix, a better bond between rubber particles and the cement matrix, and higher compressive strength of SCC rubberized concrete.

Keywords: compressive strength, modulus of elasticity, NaOH treatment, rubber aggregate, self-compacting rubberized concrete, scanning electron microscope analysis

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Authors: Mahfoud Djebbar

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Stock dilution is a financial phenomenon resulting from the issue of additional shares by a company, or when holders convert their convertibles into new shares (capital increase). This issue and/or conversion enlarge the company’s share base that will result in marginal dilution (loss) for existing shareholders, and a benefit to new ones. Dilution issues have already been addressed in mainstream finance, particularly as far as information disclosure is concerned. However, in Islamic finance, stock dilution problems have not been deeply studied and the subject has not received sufficient attention from shariah-compatible firms, investors, and scholars. In this regard, this paper emphasises the forms, the effects of capital dilution on current shareholders as well as the ways and techniques of compensating them. And since the research in this field, in its Islamic perspective, is still in its infancy, the paper tries to analyse the phenomenon theoretically in detail using numerical examples, and expose some case studies of Shariah-compliant issuers of convertible Sukuk and how they compensate their existing shareholders. Finally, this study shows that the Sukuk issuers compensate old shareholders using the right of shuf’ah as a well known and practiced pre-emptive right in Islamic transactions centuries ago, as well as the ways conventional bond issuers use.

Keywords: compensating shareholders, convertible Sukuk, Islamic financial innovation, Shuf’ah

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Authors: Pei Li, Chunyi Zhi

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Conversion-type lithium-ion batteries show great potential as high-energy-density, low-cost and sustainable alternatives to current transition-metal-based intercalation cells. Li-Cl₂/Li⁻I₂ conversion batteries, based on anionic redox reactions of Cl⁻/Cl⁰ or I⁻/I⁰, are highly attractive due to their superior voltage and capacity. However, a redox-active and reversible chlorine cathode has not been developed in organic electrolytes. And thermodynamic instability and shuttling issues of iodine cathodes have plagued the active iodine loading, capacity retention and cyclability. By reversible chemical bonds, we develop reversible chlorine redox reactions in organic electrolytes with interhalogen bonds between I and Cl for Li-I₂ batteries and develop a highly thermally stable I/I₃--bonded organic salts with iodine content up to 80% as cathode materials for the rechargeable Li-I₂ batteries. The demonstration of reversible chemical bonds enabled rechargeable Li-halogen batteries opens a new avenue to develop halogen compound cathodes.

Keywords: conversion-type, chlorine, halogen cathode, high energy density, iodine, interhalogen bond, lithium-ion batteries

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Authors: Olumayede Emmanuel Gbenga, Adeniyi Azeez Adebayo

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Carbonyls are the first-generation products from tropospheric degradation reactions of volatile organic compounds (VOCs). This computational study examined the mechanism of removal of carbonyls from the atmosphere via hydroxyl radical. The kinetics of the reactions were computed from the activation energy (using enthalpy (ΔH**) and Gibbs free energy (ΔG**). The minimum energy path (MEP) analysis reveals that in all the molecules, the products have more stable energy than the reactants, which implies that the forward reaction is more thermodynamically favorable. The hydrogen abstraction of the aromatic aldehyde, especially without methyl substituents, is more kinetically favorable compared with the other aldehydes in the order of aromatic (without methyl or meta methyl) > alkene (short chain) > diene > long-chain aldehydes. The activation energy is much lower for the forward reaction than the backward, indicating that the forward reactions are more kinetically stable than their backward reaction. In terms of thermodynamic stability, the aromatic compounds are found to be less favorable in comparison to the aliphatic. The study concludes that the chemistry of the carbonyl bond of the aldehyde changed significantly from the reactants to the products.

Keywords: atmospheric carbonyls, oxidation, mechanism, kinetic, thermodynamic

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Authors: M. Kamal Elbokl

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The beneficial effects of reinforcing the subgrade soil in pavement system with randomly distributed polypropylene fibers were investigated. For this issue, two types of soils and one type of fiber were selected. Proctor, CBR and unconfined compression tests were conducted on unreinforced samples as well as reinforced ones at different concentrations and aspect ratio of fibers. OMC, CBR and modulus of elasticity were investigated and thereby, the optimum value of aspect ratio and fiber content were determined. The static and repeated triaxial tests were also conducted to study the behaviour of fiber reinforced soils under both static and repeated loading. The results indicated that CBR values of reinforced sand and clay were 3.1 and 4.2 times of their unreinforced values respectively. The modulus of elasticity of fiber reinforced soils has increased by 100% for silty sandy soil and 60.20% for silty clay soil due to fiber reinforcement. The reinforced soils exhibited higher failure stresses in the static triaxial tests than the unreinforced ones due to the apparent bond developed between soil particle and the fiber. Fiber reinforcement of subgrade soils can play an important role in control the rut formation in the pavement system.

Keywords: polypropylene fibers, CBR, static triaxial, cyclic triaxial, resilient strain, permanent strain

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Authors: Sunil Kumar, Sandip Dhole, Deepak Salunke, Chung-ming Sun

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Heterocycles bearing nitrogen, oxygen, and selenium are present in innumerable biologically active compounds. For instance, coumarin containing dicoumarol acts as naturally occurring anticoagulant. 2-Acylamido selenazole works as Store-Operated Calcium (SOC) channel regulator. Therefore, due to biologically significance of selenazole and coumarin and our quest to develop efficient methodologies for the synthesis of complex heterocycles, the trisubstituted angular isocoumarinoselenazole synthesis was proposed and achieved by starting from nitrobenzoic acid derivative, available commercially. Synthetic procedure involves three steps: i) the construction of 2-aminobenzoselenazoles, ii) their regioselective N-alkylation at position-2 and iii) alkyne insertion via Ru catalyzed C-H activation. Transition metal free synthesis of benzoselenazoles was successfully brought about by the addition/elimination reaction via intramolecular C-Se bond formation. In the next step, N-alkylation of selenazole furnished two regioisomers. Both the isomers exhibited different reactivity towards [4+2] alkyne annulation reaction. The fusion of α-pyrone ring on the benzo[1,3-d]selenazole skeleton was achieved via Ru(II)-catalyzed C-H activation and alkyne insertion. As evident from mechanism, the selenazole 'N' plays an important role for the experiential selectivity.

Keywords: alkylation, alkyne insertion, coumarin, selenazole

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Authors: Nazar Hussain, Debaraj Mukherjee

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Carbohydrate-derived chiral intermediates which contain arrays of defined stereocenters have found enormous applications in organic synthesis due to their inherent functional group, stereochemical and structural diversities as well as their ready availability. Stereodiversity of these classes of molecules has motivated synthetic organic chemistry over the years. One major challenge is control of relative configuration during construction of acyclic fragments. Here, we show that The Diels Alder addition of arynes to appropriately substituted vinyl/aryl glycals followed by π-extension via pyran ring opening smoothly furnished meta-disubstituted fused aromatic cores containing a stereo-defined orthogonally protected chiral side chain. The method is broad in terms of aryl homologation affording benzene, naphthalene, and phenanthrene derivatives. Base-induced deprotonation followed by cleavage of the allylic C-O bond appears to be the crucial steps leading to the development of aromaticity, which is the driving force behind the annulative π-extension process. The present protocol can be used for the synthesis of meta-disubstituted naphthalene aldehydes and substrates for aldolases.

Keywords: vinyl/C-2 aryl glycal, arynes, cyclization, ring opening

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Authors: E. Esra Kasapbaşı, Büşra Yıldırım

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Weak oxidizing radicals, such as alkyl peroxyl derivatives, react with carotenoids through hydrogen atom transfer to form neutral carotenoid radicals. Using the DFT method, it has been observed that s-cis-β-carotene is more stable than all-transforms. In the context of this study, an attempt is made to explain the reaction mechanism of the isomers of β-carotene, which exhibits antioxidant properties, with n-pentyl peroxide, one of the alkyl peroxyl molecules, using the Density Functional Theory (DFT) method. The cis and transforms of β-carotene are used in the study to determine which form is more reactive. For this purpose, Natural Bond Orbital (NBO) charges of all optimized structures are calculated, and electron transfer is determined by examining electron transitions between Highest Occupied Molecular Orbital (HOMO) and Lowest Unoccupied Molecular Orbital (LUMO). Additionally, the radical character and reaction mechanism of β-carotene in a radical environment are attempted to be explained based on the calculations. The theoretical inclination of whether β-carotene in cis or transforms is more active in reaction is also discussed. All these calculations are performed in the gas phase using the Integral Equation Formalism Polarizable Continuum Model IEFPCM method with dichloromethane as the solvent.

Keywords: β-carotene, n-pentyl peroxyl radical, DFT, TD-DFT

Procedia PDF Downloads 72

Authors: Yuxuan Yang, Zhaoping Zhong

Abstract:

Municipal solid waste and sludge are important sources of waste energy and their proper disposal is of great importance. Pyrolysis can fully decompose solid wastes and sludge, and the pyrolysis products (charcoal, oil and gas) have important recovery values. Due to the complex composition of solid wastes and sludge, the pyrolysis process at high temperatures is prone to heavy metal emissions, which are harmful to humans and the environment and reduce the safety of pyrolysis products. In this paper, heavy metal emissions during pyrolysis of municipal sewage sludge, paper mill sludge, municipal domestic waste, and aged refuse at 450-650°C were investigated and the emissions and hazards of heavy metals (Pb, Cr, Cd, Cu and Zn) were effectively reduced by adding modified vermiculite as an additive. The vermiculite was modified by intercalation with cetyltrimethylammonium bromide, which resulted in more than twice the original layer spacing of the vermiculite. Afterward, the interpolated vermiculite was made into vermiculite flakes by exfoliation modification. After that, the expansion rate of vermiculite flakes was increased by Mg2+ modification and thermal activation. The expanded vermiculite flakes were acidified to improve the textural characteristics of the vermiculite. The modified vermiculite was analysed by XRD, FT-IR, BET and SEM to clarify the modification effect. The incorporation of modified vermiculite resulted in more than 80% retention of all heavy metals at 450°C. Cr, Cu and Zn were better retained than Pb and Cd. The incorporation of modified vermiculite effectively reduced the risk of heavy metals, and all risks were low for Pb, Cr, Cu and Zn. The toxicity of all heavy metals was greatly reduced by the incorporation of modified vermiculite and the morphology of heavy metals was transformed from Exchangeable and acid-soluble (F1) and Reducible (F2) to Oxidizable (F3) and Residual (F4). In addition, the increase in temperature favored the stabilization of heavy metal forms. This study provides a new insight into the cleaner use of energy and the safe management of solid waste.

Keywords: heavy metal, pyrolysis, vermiculite, solid waste

Procedia PDF Downloads 59

Authors: Martin Alexander Eder, Sergei Semenov

Abstract:

Many glass-epoxy composite structures, such as large utility wind turbine rotor blades (WTBs), comprise of adhesive joints with typically thick bond lines used to connect the different components during assembly. Performance optimization of rotor blades to increase power output by simultaneously maintaining high stiffness-to-low-mass ratios entails intricate geometries in conjunction with complex anisotropic material behavior. Consequently, adhesive joints in WTBs are subject to multiaxial stress states with significant stress gradients depending on the local joint geometry. Moreover, the dynamic aero-elastic interaction of the WTB with the airflow generates non-proportional, variable amplitude stress histories in the material. Empiricism shows that a prominent failure type in WTBs is high cycle fatigue failure of adhesive bond line interfaces, which in fact over time developed into a design driver as WTB sizes increase rapidly. Structural optimization employed at an early design stage, therefore, sets high demands on computationally efficient interface fatigue models capable of predicting the critical locations prone for interface failure. The numerical stress-based interface fatigue model presented in this work uses the Drucker-Prager criterion to compute three different damage indices corresponding to the two interface shear tractions and the outward normal traction. The two-parameter Drucker-Prager model was chosen because of its ability to consider shear strength enhancement under compression and shear strength reduction under tension. The governing interface damage index is taken as the maximum of the triple. The damage indices are computed through the well-known linear Palmgren-Miner rule after separate rain flow-counting of the equivalent shear stress history and the equivalent pure normal stress history. The equivalent stress signals are obtained by self-similar scaling of the Drucker-Prager surface whose shape is defined by the uniaxial tensile strength and the shear strength such that it intersects with the stress point at every time step. This approach implicitly assumes that the damage caused by the prevailing multiaxial stress state is the same as the damage caused by an amplified equivalent uniaxial stress state in the three interface directions. The model was implemented as Python plug-in for the commercially available finite element code Abaqus for its use with solid elements. The model was used to predict the interface damage of an adhesively bonded, tapered glass-epoxy composite cantilever I-beam tested by LM Wind Power under constant amplitude compression-compression tip load in the high cycle fatigue regime. Results show that the model was able to predict the location of debonding in the adhesive interface between the webfoot and the cap. Moreover, with a set of two different constant life diagrams namely in shear and tension, it was possible to predict both the fatigue lifetime and the failure mode of the sub-component with reasonable accuracy. It can be concluded that the fidelity, robustness and computational efficiency of the proposed model make it especially suitable for rapid fatigue damage screening of large 3D finite element models subject to complex dynamic load histories.

Keywords: adhesive, fatigue, interface, multiaxial stress

Procedia PDF Downloads 165

Authors: H. J. Liu, Y. A. Chan, C. K. Pai, K. C. Tseng, Y. H. Chen, Y. L. Chan, T. C. Kuo

Abstract:

To satisfy the mission requirement of the FORMOSAT-7 project, NSPO has initialized a self-reliant development on satellite propulsion technology. A trade-off study on different types of on-board propulsion system has been done. A green propellant, high-concentration hydrogen peroxide (H2O2 hereafter), is chosen in this research because it is ITAR-free, nontoxic and easy to produce. As the components designed for either cold gas or hydrazine propulsion system are not suitable for H2O2 propulsion system, the primary objective of the research is to develop the components compatible with H2O2. By cooperating with domestic research institutes and manufacturing vendors, several prototype components, including a diaphragm-type tank, pressure transducer, ball latching valve, and one-Newton thruster with catalyst bed, were manufactured, and the functional tests were performed successfully according to the mission requirements. The requisite environmental tests, including hot firing test, thermal vaccum test, vibration test and compatibility test, are prepared and will be to completed in the near future. To demonstrate the subsystem function, an Air-Bearing Thrust Stand (ABTS) and a real-time Data Acquisition & Control System (DACS) were implemented to assess the performance of the proposed H2O2 propulsion system. By measuring the distance that the thrust stand has traveled in a given time, the thrust force can be derived from the kinematics equation. To validate the feasibility of the approach, it is scheduled to assess the performance of a cold gas (N2) propulsion system prior to the H2O2 propulsion system.

Keywords: FORMOSAT-7, green propellant, Hydrogen peroxide, thruster

Procedia PDF Downloads 422

Authors: K. D. Rajatha, S. Rajendra Prasad, N. Nethra

Abstract:

Aeroponics is one of the advanced techniques to cultivate plants without soil with minimal water and nutrient consumption. This is the technology which could bring the vertical growth in agriculture. It is an eco-friendly approach widely used for commercial cultivation of vegetables to obtain the supreme quality and yield. In this context, to harvest potentiality of the technology, an experiment was designed to evaluate the suitability of the aeroponics method over the conventional method for hybrid seed production of tomato. The experiment was carried out under Completely Randomized Design with Factorial (FCRD) concept with three replications during the year 2017-18 at UAS, GKVK Bengaluru. Nutrients and pH were standardized; among the six different nutrient solutions, the crop performance was better in Hoagland’s solution with pH between 5.5-7. The results of the present study revealed that between TAG1F and TAG2F parental lines, TAG1F performed better in both the methods of seed production. Among the methods, aeroponics showed better performance for the quality parameters except for plant spread, due to better availability of nutrients and aeration, huge root biomass in aeroponics. Aeroponics method showed significantly higher plant length (124.9 cm), plant growth rate (0.669), seedling survival rate (100%), early flowering (27.5 days), highest fruit weight (121.5 g), 100 seed weight (0.373 g) and total seed yield plant⁻¹ (11.68 g) compared to the conventional method. By providing the best environment for plant growth, the genetically best possible plant could be grown, thus complete potentiality of the plant could be harvested. Hence, aeroponics could be a promising tool for quality and healthy hybrid seed production throughout the year within protected cultivation.

Keywords: aeroponics, Hoagland’s solution, hybrid seed production, Lycopersicon esculentum

Procedia PDF Downloads 94

Authors: K. Maliki, A. Ajayi, O. M. Makanjuola, O. J. Adebowale

Abstract:

Cocoyam is herbaceous perennial plant which belongs to the family Araceae and genus xanthosoma or cococasia is mostly cultivated as food crop. It is very rich in Vitamin B6, Magnesium and also in dietary fiber. Matured cocoyam is eaten boiled, Fried or roasted in Nigeria. It can also be dried and used to make flour. Food drying is a method of food preservation in which food is dried, thus inhibit the growth of bacteria yeast and mold through the removal of water. Drying effect on the proximate composition and functional properties of cocoyam flour were investigated. Freshly harvested cocoyam cultivars at matured level were washed with portable water, peeled, sliced into 0.3mm thickness blanch in boiling water at 100°C for 15 minutes and dried using sun drying oven and cabinet dryers. The blanched slices were divided into three lots and were subjected to different drying methods. The dried cocoyam slices were milled into flour using Apex mill and packed into Low Density Polyethylene Film (LDPE) 75 Micron 4 thickness and kept for four months under ambient temperature before analysis. The results showed that the moisture content, ash, crude fiber, fat, protein and carbohydrate ranged from 7.35% to 13.89%, 1.45% to 3.3%, 1.2% to 3.41%, 2.1% to 3.1%, 6.30% to 9.1% and 66% to 82% respectively. The functional properties of the cocoyam flour ranged from 1. 65ml/g to 4.24ml/g water absorption capacity, 0.85ml/g to 2.11ml/g oil absorption capacity 0.56ml/g and 0.78ml/g bulk density and 4.91% to 6.80% swelling capacity. The result showed that there was not significant difference (P ≥ 0.5) across the various drying methods used. Cabinet drying method was found to have the best quality characteristic values than the other drying methods. In conclusion, drying of cocoyam could be used for value addition and provide extension to shelf-life.

Keywords: cocoyam flour, drying, cabinet dryer, oven dryer

Procedia PDF Downloads 237