Search results for: Chemistry

Authors: Nikolina Ribarić

Abstract:

This paper compares the readiness of chemistry teachers to use information and communication technologies in chemistry in 2018 and 2021. A survey conducted in 2018 on a sample of teachers showed that most teachers occasionally use visualization and digitization tools in chemistry teaching (65%), but feel that they are not educated enough to use them (56%). Also, most teachers do not have adequate equipment in their schools and are not able to use ICT in teaching or digital tools for visualization and digitization of content (44%). None of the teachers find the use of digitization and visualization tools useless. Furthermore, a survey conducted in 2021 shows that most teachers occasionally use visualization and digitization tools in chemistry teaching (83%). Also, the research shows that some teachers still do not have adequate equipment in their schools and are not able to use ICT in chemistry teaching or digital tools for visualization and digitization of content (14%). Advances in the use of ICT in chemistry teaching are linked to pandemic conditions and the obligation to conduct online teaching. The share of 14% of teachers who still do not have adequate equipment to use digital tools in teaching is worrying.

Keywords: Chemistry, digital content, e-learning, ICT, visualization.

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Authors: Jayson G. Balansag

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An integrated biology and chemistry (iBC) course for freshmen college students was developed in University of Delaware. This course will prepare students to (1) become interdisciplinary thinkers in the field of biology and (2) collaboratively work with others from multiple disciplines in the future. This paper documents and describes the implementation of the course. The information gathered from reading literature, classroom observations, and interviews were used to carry out the purpose of this paper. The major goal of the iBC course is to align the concepts between Biology and Chemistry, so that students can draw science concepts from both disciplines which they can apply in their interdisciplinary researches. This course is offered every fall and spring semesters of each school year. Students enrolled in Biology are also enrolled in Chemistry during the same semester. The iBC is composed of lectures, laboratories, studio sessions, and workshops and is taught by the faculty from the biology and chemistry departments. In addition, the preceptors, graduate teaching assistants, and studio fellows facilitate the laboratory and studio sessions. These roles are interdependent with each other. The iBC can be used as a model for higher education institutions who wish to implement an integrated biology course.

Keywords: Integrated biology and chemistry, integration, interdisciplinary research, new biology, undergraduate science education.

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Authors: Nhon Van Do, Nam Hoai Le, Vien Chan Luong

Abstract:

The Model for Knowledge Base of Computational Objects (KBCO model) has been successfully applied to represent the knowledge of human like Plane Geometry, Physical, Calculus. However, the original model cannot easyly apply in inorganic chemistry field because of the knowledge specific problems. So, the aim of this article is to introduce how we extend the Computional Object (Com-Object) in KBCO model, kinds of fact, problems model, and inference algorithms to develop a program for solving problems in inorganic chemistry. Our purpose is to develop the application that can help students in their study inorganic chemistry at schools. This application was built successful by using Maple, C# and WPF technology. It can solve automatically problems and give human readable solution agree with those writting by students and teachers.

Keywords: artificial intelligence, automated problem solving, knowledge base system, knowledge representation, reasoning strategy, education software/educational applications.

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Authors: J. Dumrongsak, A. M. Savill

Abstract:

Non-premixed turbulent combustion Computational Fluid Dynamics (CFD) has been carried out in a simplified methanefuelled coaxial jet combustor employing Large Eddy Simulation (LES). The objective of this study is to evaluate the performance of LES in modelling non-premixed combustion using a commercial software, FLUENT, and investigate the effects of the grid density and chemistry models employed on the accuracy of the simulation results. A comparison has also been made between LES and Reynolds Averaged Navier-Stokes (RANS) predictions. For LES grid sensitivity test, 2.3 and 6.2 million cell grids are employed with the equilibrium model. The chemistry model sensitivity analysis is achieved by comparing the simulation results from the equilibrium chemistry and steady flamelet models. The predictions of the mixture fraction, axial velocity, species mass fraction and temperature by LES are in good agreement with the experimental data. The LES results are similar for the two chemistry models but influenced considerably by the grid resolution in the inner flame and near-wall regions.

Keywords: Coaxial jet, reacting LES, non-premixed combustion, turbulent flow.

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Authors: J. Georgiou, K. Dimitropoulos, A. Manitsaris

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Simulations play a major role in education not only because they provide realistic models with which students can interact to acquire real world experiences, but also because they constitute safe environments in which students can repeat processes without any risk in order to perceive easier concepts and theories. Virtual reality is widely recognized as a significant technological advance that can facilitate learning process through the development of highly realistic 3D simulations supporting immersive and interactive features. The objective of this paper is to analyze the influence of virtual reality-s use in chemistry instruction as well as to present an integrated web-based learning environment for the simulation of chemical experiments. The proposed application constitutes a cost-effective solution for both schools and universities without appropriate infrastructure and a valuable tool for distance learning and life-long education in chemistry. Its educational objectives are the familiarization of students with the equipment of a real chemical laboratory and the execution of virtual volumetric analysis experiments with the active participation of students.

Keywords: Chemistry, simulations, experiments, virtual reality.

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Authors: Ihuarulam Ambrose Ikenna

Abstract:

In the past few decades, the field of chemistry education has grown tremendously and researches indicated that after traditional chemistry instruction students often lacked deep conceptual understanding and failed to integrate their ideas into coherent conceptual framework. For several concepts in chemistry, students at all levels have demonstrated difficulty in changing their initial perceptions. Their perceptions are most often wrong and don't agree with correct scientific concepts. This study explored the effectiveness of intervention discussion sections for a college general chemistry course designed to apply research on students preconceptions, knowledge integration and student explanation. Three interventions discussions lasting three hours on bond energy and spontaneity were done tested and intervention (treatment) students’ performances were compared with that of control group which did not use the experimental pedagogy. Results indicated that this instruction which was capable of identifying students' misconceptions, initial conceptions and integrating those ideas into class discussion led to enhanced conceptual understanding and better achievement for the experimental group.

Keywords: Intervention Discussion Learning Model, Learning, Remedying, Students’ misconceptions.

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Authors: Mohamed E. Khalifa

Abstract:

The chemistry of sulphone hydrazide has gained increase interest in both synthetic organic chemistry and biological fields and has considerable value. The therapeutic importance of these compounds is the attractive force to continue research in such a point. The present review covers the literature up to date for the synthesis, reactions and applications of such compounds.

Keywords: Sulphone hydrazide compounds, Reactions, Synthesis, Biological activities.

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Authors: Ahmed A. Hassan, Hassan I. Ali, Abdallah A. Salum, Asia M. Kassim, Yussuf N. Elmoge, Ali A. Amour

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The purpose of this study was to investigate the performance of chemistry in Zanzibar Secondary Schools. It was conducted in all regions of Zanzibar in public and private secondary schools and Ministry of Education officials. The objective of the study included finding out causes of poor performance in chemistry. Views, opinions, and suggestions of teachers and students to improve performance of chemistry and a descriptive survey was adopted for the study. 45 teachers and 200 students were randomly sampled from 15 secondary schools in Zanzibar and ten Ministry of Education officials were purposively sampled for the study. Questionnaires and open-ended interview schedules were the main instruments used in obtaining relevant data from respondents. Data collected from the field was analyzed both qualitatively and quantitatively. Qualitative analysis involved content analysis of the responses obtained through interviews and quantitative analysis involved generation of tables, frequencies and percentages. The results revealed that there were shortages of trained teachers, lack of proficiency in the language of instruction (English) and major facilities like laboratories and books. These led to poor delivery of subject matter and consequently resulting in poor performance. Based on the findings, this study recommends that provision of trained, competent, and effective teachers as vital aspects to be considered. Government through Ministry of Education should put effort to stalk libraries and equip laboratories with modern books and instruments. In addition, the ministry should strengthen teachers’ training and encourage use of instructional media in class and make conducive learning environment to both teachers and students.

Keywords: Zanzibar, secondary schools, chemistry, science, performance and factors.

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Authors: Zhao Jing, Bai Yongqing, Shi Qiaofang, Zang Yang, Zhang Huaihao

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Advances in software technology enable the computational chemistry to be commonly applied in various research fields, especially in pedagogy. Thus, in order to expand and improve experimental instructions of computational chemistry for undergraduates, we designed an introductory experiment—research on acrylamide molecular structure and physicochemical properties. Initially, students construct molecular models of acrylamide and polyacrylamide in Gaussian and Materials Studio software respectively. Then, the infrared spectral data, atomic charge and molecular orbitals of acrylamide as well as solvation effect of polyacrylamide are calculated to predict their physicochemical performance. At last, rheological experiments are used to validate these predictions. Through the combination of molecular simulation (performed on Gaussian, Materials Studio) with experimental verification (rheology experiment), learners have deeply comprehended the chemical nature of acrylamide and polyacrylamide, achieving good learning outcomes.

Keywords: Upper-division undergraduate, computer-based learning, laboratory instruction, amides, molecular modeling, spectroscopy.

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Authors: Kamaci O., Altunkaynak S.

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Kepsut-Dursunbey volcanic field (KDVF) is located in NW Turkey and contains various products of the post-collisional Neogene magmatic activity. Two distinct volcanic suites have been recognized; the Kepsut volcanic suite (KVS) and the Dursunbey volcanic suite (DVS). The KVS includes basaltic trachyandesitebasaltic andesite-andesite lavas and associated pyroclastic rocks. The DVS consists of dacite-rhyodacite lavas and extensive pumice-ash fall and flow deposits. Petrographical features (i.e. existence of xenocrysts, glomerocrysts, and mixing-compatible textures) and mineral chemistry of phenocryst assemblages of both suites provide evidence for magma mixing/AFC. Calculated crystallization pressures and temperatures give values of 5.7–7.0 kbar and 927–982 °C for the KVS and 3.7–5.3 kbar and 783-787°C for the DVS, indicating separate magma reservoirs and crystallization in magma chambers at deep and mid crustal levels, respectively. These observations support the establishment and evolution of KDVF magma system promoted by episodic basaltic inputs which may generate and mix with crustal melts.

Keywords: mineral chemistry, mixing, basaltic inputs, NW Turkey

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Authors: Nikolina Ribarić

Abstract:

E-learning is most commonly defined as a set of applications and processes, such as Web-based learning, computer-based learning, virtual classrooms and digital collaboration, that enable access to instructional content through a variety of electronic media. The main goal of an e-learning system is learning, and the way to evaluate the impact of an e-learning system is by examining whether students learn effectively with the help of that system. Testmoz is a program for online preparation of knowledge evaluation assignments. The program provides teachers with computer support during the design of assignments and evaluating them. Students can review and solve assignments and also check the correctness of their solutions. Research into the increase of motivation by the practice of providing teaching content by applying online tests prepared in the Testmoz program, was carried out with students of the 8th grade of Ljubo Babić Primary School in Jastrebarsko. The students took the tests in their free time, from home, for an unlimited number of times. SPSS was used to process the data obtained by the research instruments. The results of the research showed that students preferred to practice teaching content, and achieved better educational results in chemistry, when they had access to online tests for repetition and practicing in relation to subject content which was checked after repetition and practicing in "the classical way" – i.e., solving assignments in a workbook or writing assignments in worksheets.

Keywords: Chemistry class, e-learning, online test, Testmoz.

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Authors: Modreck Gomo

Abstract:

The evolution of groundwater chemistry and its quality is largely controlled by hydrogeochemical processes and their understanding is therefore important for groundwater quality assessments and protection of the water resources. A study was conducted in Bloemfontein town of South Africa to assess and compare the groundwater chemistry and quality characteristics in an alluvial aquifer and single-plane fractured-rock aquifers. 9 groundwater samples were collected from monitoring boreholes drilled into the two aquifer systems during a once-off sampling exercise. Samples were collected through low-flow purging technique and analysed for major ions and trace elements. In order to describe the hydrochemical facies and identify dominant hydrogeochemical processes, the groundwater chemistry data are interpreted using stiff diagrams and principal component analysis (PCA), as complimentary tools. The fitness of the groundwater quality for domestic and irrigation uses is also assessed. Results show that the alluvial aquifer is characterised by a Na-HCO₃ hydrochemical facie while fractured-rock aquifer has a Ca-HCO₃ facie. The groundwater in both aquifers originally evolved from the dissolution of calcite rocks that are common on land surface environments. However the groundwater in the alluvial aquifer further goes through another evolution as driven by cation exchange process in which Na in the sediments exchanges with Ca²⁺ in the Ca-HCO₃ hydrochemical type to result in the Na-HCO₃ hydrochemical type. Despite the difference in the hydrogeochemical processes between the alluvial aquifer and single-plane fractured-rock aquifer, this did not influence the groundwater quality. The groundwater in the two aquifers is very hard as influenced by the elevated magnesium and calcium ions that evolve from dissolution of carbonate minerals which typically occurs in surface environments. Based on total dissolved levels (600-900 mg/L), groundwater quality of the two aquifer systems is classified to be of fair quality. The negative potential impacts of the groundwater quality for domestic uses are highlighted.

Keywords: Alluvial aquifer, fractured-rock aquifer, groundwater quality, hydrogeochemical processes.

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Authors: Parisa Tajer-Mohammad-Ghazvini, Rouha Kasra-Kermanshahi, Ahmad Nozad-Golikand, Majid Sadeghizadeh

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Bacterial magnetic nanoparticles have great useful potential in biotechnological and biomedical applications. In this study, a liquid growth medium was modified for cultivation a fastidious magnetotactic bacterium that has been isolated from Anzali lagoon, Iran in our previous research. These modifications include change in vitamin, mineral, carbon sources and etcetera. In our experience, the serum bottles and designed air-tight laboratory bottles were used to create microaerobic conditions in order to development of a method for scale-up experiment. This information may serve as a guide to green chemistry based biological protocols for the synthesis of magnetic nanoparticles with control over the chemical composition, morphology and size.

Keywords: Green chemistry, Magnetosome, Magnetotactic bacteria, Magnetic nanoparticles, Nano-Biotechnology.

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Authors: Alicia Y. C. Tang, Sharifuddin M. Zain, Noorsaadah A. Rahman, Rukaini Abdullah

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This paper discusses a qualitative simulator QRiOM that uses Qualitative Reasoning (QR) technique, and a process-based ontology to model, simulate and explain the behaviour of selected organic reactions. Learning organic reactions requires the application of domain knowledge at intuitive level, which is difficult to be programmed using traditional approach. The main objective of QRiOM is to help learners gain a better understanding of the fundamental organic reaction concepts, and to improve their conceptual comprehension on the subject by analyzing the multiple forms of explanation generated by the software. This paper focuses on the generation of explanation based on causal theories to explicate various phenomena in the chemistry subject. QRiOM has been tested with three classes problems related to organic chemistry, with encouraging results. This paper also presents the results of preliminary evaluation of QRiOM that reveal its explanation capability and usefulness.

Keywords: Artificial intelligence, explanation, ontology, organicreactions, qualitative reasoning, QPT.

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Authors: Alicia Y. C. Tang, Rukaini Abdullah, Sharifuddin M. Zain, Noorsaadah A. Rahman

Abstract:

This paper discusses the causal explanation capability of QRIOM, a tool aimed at supporting learning of organic chemistry reactions. The development of the tool is based on the hybrid use of Qualitative Reasoning (QR) technique and Qualitative Process Theory (QPT) ontology. Our simulation combines symbolic, qualitative description of relations with quantity analysis to generate causal graphs. The pedagogy embedded in the simulator is to both simulate and explain organic reactions. Qualitative reasoning through a causal chain will be presented to explain the overall changes made on the substrate; from initial substrate until the production of final outputs. Several uses of the QPT modeling constructs in supporting behavioral and causal explanation during run-time will also be demonstrated. Explaining organic reactions through causal graph trace can help improve the reasoning ability of learners in that their conceptual understanding of the subject is nurtured.

Keywords: Qualitative reasoning, causal graph, organicreactions, explanation, QPT, modeling constructs.

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Authors: E. Oke, A. O. Ladokun, J. O. Daramola, O. M. Onagbesan

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There has been a growing interest on the effects of access to pasture on poultry health status. However, there is a paucity of data on the relative benefits of grass and legume pastures. An experiment was conducted to determine the effects of rearing systems {deep litter system (DL), deep litter with access to legumes (LP) or grass (GP) pastures} haematology and serum chemistry of ISA Brown layers. The study involved the use of two hundred and forty 12 weeks old pullets. The birds were reared until 60 weeks of age. Eighty birds were assigned to each treatment; each treatment had four replicates of 20 birds each. Blood samples (2.5 ml) were collected from the wing vein of two birds per replicate and serum chemistry and haematological parameters were determined. The results showed that there were no significant differences between treatments in all the parameters considered at 18 weeks of age. At 24 weeks old, the percentage of heterophyl (HET) in DL and LP were similar but higher than that of GP. The ratio of H:L was higher (P<0.05) in DL than those of LP and GP while LP and GP were comparable. At week 38 of age, the percentage of PCV in the birds in LP and GP were similar but the birds in DL had significantly lower level than that of GP. In the early production phase, serum total protein of the birds in LP was similar to that of GP but higher (P<0.05) than that of DL. At the peak production phase (week 38), the total protein in GP and DL were similar but significantly lower than that of LP. The albumin level in LP was greater (P<0.05) than GP but similar to that of DL. In the late production phase, the total protein in LP was significantly higher than that of DL but similar to that of GP. It was concluded that rearing chickens in either grass or legume pasture did not have deleterious effects on the health of laying chickens but improved some parameters including blood protein and HET/lymphocyte.

Keywords: Rearing systems, Stylosanthes, Cynodon serum chemistry, haematology, hen.

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Authors: I. M. Yusuff, A. M. Arogunjo, S. B. Ibikunle, O. M. Oni, P. O. Osho

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Generally, water contamination is a serious health concern, affecting millions of people worldwide every year. Among the water contaminants, radon is a radioactive contaminant understudied and under-regulated. It produces many adverse health effects, including cancer. It is a natural gas that cannot be seen, tasted, or smelled. It develops from the radioactive decay of radium found in the rock of soil and has been considered a health hazard due to its radioactivity in nature. To examine its effects and physicochemical characteristics on the blood biomarkers due to its ingestion in drinking water, its concentrations were monitored and measured in treated and untreated water using Electronic Radon Active Detector (RAD7), while human blood samples were collected using the required laboratory tools. The blood samples were collected and examined physicochemically using semi-automated chemistry analyzer to evaluate the chemistry parameters of the blood. Statistically, results obtained were analyzed using T-test of variables at 95% confidence interval. The outcome of results revealed 112.03 Bq/m3, 561.67 Bq/m3 and 2,753.00 Bq/m3 of radon-222 concentrations in the three water samples used respectively. Demographically, chemistry parameters biomarkers of the blood determined displayed some levels of variations due to radon-222 contaminants ingested from untreated water. Also, analyzed results of blood revealed the associations between the physicochemical parameters of the blood biomarkers and volunteers’ health consequences. The consequences observed were more severed with group B volunteers than group A, due to high level of radon contaminants in borehole water consumed by group B than in well water consumed by group A. The percentages of elevated and depressed biomarkers observed differ from initial reference values and, were the dysfunction indicators. They are directly or indirectly associated to human’s state of health. Most significant biomarkers affected were; HCO3, Cl, K, Cr and Na, they are relevant biomarkers in medicine to determine human’s state of health at any point in time.

Keywords: Radioactive, radon, biomarker, ingestion, dysfunction.

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Authors: Valdênia Carvalho e Almeida

Abstract:

The goal of the present study is to investigate the semantic preference of the most frequent adjectives in research articles through a corpus-based analysis of texts published in journals in Applied Linguistics (AL). The corpus used in this study contains texts published in the period from 2014 to 2018 in the three journals: Language Learning and Technology; English for Academic Purposes, and TESOL Quaterly, totaling more than one million words. A corpus-based analysis was carried out on the corpus to identify the most frequent adjectives that co-occurred in the three journals. By observing the concordance lines of the adjectives and analyzing the words they associated with, the semantic preferences of each adjective were determined. Later, the AL corpus analysis was compared to the investigation of the same adjectives in a corpus of Chemistry. This second part of the study aimed to identify possible differences and similarities between the two corpora in relation to the use of the adjectives in research articles from both areas. The results show that there are some preferences which seem to be closely related not only to the academic genre of the texts but also to the specific domain of the discipline and, to a lesser extent, to the context of research in each journal. This research illustrates a possible contribution of Corpus Linguistics to explore the concept of semantic preference in more detail, considering the complex nature of the phenomenon.

Keywords: Applied linguistics, corpus linguistics, chemistry, research article, semantic preference.

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Authors: Zharama M. Llarena

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Green chemistry for plant extraction of active principles is the main interest of many researchers concerned with climate change. While classical organic solvents are detrimental to our environment, greener alternatives to ionic liquids are very promising for sustainable organic chemistry. This study focused on the determination of functional groups observed in the main constituents from the ionic liquid extracts of Coleus aromaticus Benth leaves using FT-IR Spectroscopy. Moreover, this research aimed to determine the best ionic liquid that can separate functionalized plant constituents from the leaves Coleus aromaticus Benth using Fourier Transform Infrared Spectroscopy. Coleus aromaticus Benth leaf extract in different ionic liquids, elucidated pharmacologically important functional groups present in major constituents of the plant, namely, rosmarinic acid, caffeic acid and chlorogenic acid. In connection to distinctive appearance of functional groups in the spectrum and highest % transmittance, potassium chloride-glycerol is the best ionic liquid for green extraction.

Keywords: Coleus aromaticus, ionic liquid, rosmarinic acid, caffeic acid, chlorogenic acid.

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Authors: Daniel Beysens, Imad Lekouch, Marina Mileta, Iryna Milimouk, Marc Muselli

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Dew harvesting needs only weak investment and exploits a free, clean and inexhaustible energy. This study aims to measure the relative contributions of dew and rain water in the Mediterranean Dalmatian coast and islands of Croatia and determine whether dew water is potable. Two sites were chosen, an open site on the coast favourable to dew formation (Zadar) and a less favourable site in a circus of mountains in Komiža (Vis Island). Between July 1st, 2003 and October 31st, 2006, dew hasbeen daily collected on a 1 m2 tilted (30°) test dew condenser together with ordinary meteorological data (air temperature and relative humidity, cloud coverage, windspeed and direction). The mean yearly cumulative dew yields were found to be 20 mm (Zadar) and 9.3 mm (Komiža ). During the dry season (May to October), monthly cumulative dew water yield can represent up to 38% of water collected by rain fall. In July 2003 and 2006, dew water represented about 120% of the monthly cumulative rain water. Dew and rain water were analyzed in Zadar. The corresponding parameters were measured: pH, electrical conductivity, major anions (HCO3 -, Cl-, SO4 2- , NO3 - , ,) and major cations (NH4 +, Na+, K+, Ca2+, Mg2+. Both dew and rain water are in conformity with the WHO directives for potability except Mg2+. Using existing roofs and refurbishing the abandoned impluviums to permit dew collection could then provide a useful supplementary amount of water, especially during the dry season.

Keywords: atmospheric water, dew chemistry, dew collection, radiative cooling, rain chemistry.

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Authors: Marthese Azzopardi, Liberato Camilleri

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This research was performed to investigate the study habits and level of difficulty perceived by post-secondary students in Biology at Advanced-level topics after completing their first year of study. At the end of a two-year ‘sixth form’ course, Maltese students sit for the Matriculation and Secondary Education Certificate (MATSEC) Advanced-level biology exam as a requirement to pursue science-related studies at the University of Malta. The sample was composed of 23 students (16 taking Chemistry and seven taking some ‘Other’ subject at the Advanced Level). The cohort comprised seven males and 16 females. A questionnaire constructed by the authors, was answered anonymously during the last lecture at the end of the first year of study, in May 2016. The Chi square test revealed that gender plays no effect on the various study habits (c² (6) = 5.873, p = 0.438). ‘Reading both notes and textbooks’ was the most common method adopted by males (71.4%), whereas ‘Writing notes on each topic’ was that mostly used by females (81.3%). The Mann-Whitney U test showed no significant difference in the study habits of students and the mean assessment mark obtained at the end of the first year course (p = 0.231). Statistical difference was found with the One-ANOVA test when comparing the mean assessment mark obtained at the end of the first year course when students are clustered by their Secondary Education Certificate (SEC) grade (p < 0.001). Those obtaining a SEC grade of 2 and 3 got the highest mean assessment of 68.33% and 66.9%, respectively [SEC grading is 1-7, where 1 is the highest]. The Friedman test was used to compare the mean difficulty rating scores provided for the difficulty of each topic. The mean difficulty rating score ranges from 1 to 4, where the larger the mean rating score, the higher the difficulty. When considering the whole group of students, nine topics out of 21 were perceived as significantly more difficult than the other topics. Protein synthesis, DNA Replication and Biomolecules were the most difficult, in that order. The Mann-Whitney U test revealed that the perceived level of difficulty in comprehending Biomolecules is significantly lower for students taking Chemistry compared to those not choosing the subject (p = 0.018). Protein Synthesis was claimed as the most difficult by Chemistry students and Biomolecules by those not studying Chemistry. DNA Replication was the second most difficult topic perceived by both groups. The Mann-Whitney U test was used to examine the effect of gender on the perceived level of difficulty in comprehending various topics. It was found that females have significantly more difficulty in comprehending Biomolecules than males (p=0.039). Protein synthesis was perceived as the most difficult topic by males (mean difficulty rating score = 3.14), while Biomolecules, DNA Replication and Protein synthesis were of equal difficulty for females (mean difficulty rating score = 3.00). Males and females perceived DNA Replication as equally difficult (mean difficulty rating score = 3.00). Discovering the students’ study habits and perceived level of difficulty of specific topics is vital for the lecturer to offer guidance that leads to higher academic achievement.

Keywords: Biology, Perceived difficulty, Post-secondary, Study habits.

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Authors: Ntokozo C. Mthembu

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The notion of sustainable chemistry has become significant in the discourse for a global post-colonial era, including South Africa, especially when it comes to access to the general health system and related policies in relation to disease or ease of human life. In view of the stubborn vestiges of coloniality in the daily lives of indigenous African people in general, the fundamentals of present Western medical and traditional medicine systems and related policies in the democratic era were examined in this study. The situation of traditional healers in relation to current policy was also reviewed. The advent of democracy in South Africa brought about a variety of development opportunities and limitations, particularly with respect to indigenous African knowledge systems such as traditional medicine. There were high hopes that the limitations of previous narrow cultural perspectives would be rectified in the democratic era through development interventions, but some sections of society, such as traditional healers, remain marginalised. The Afrocentric perspective was explored in dissecting government interventions related to traditional medicine. This article highlights that multiple medical systems should be adopted and that health policies should be aligned in order to guarantee mutual respect and to address the remnants of colonialism in South Africa, Africa and the broader global community.

Keywords: Traditional healing system, healers, pluralist healthcare system, post-colonial era.

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Authors: Nishant Rodrigues, Nicole Spanedda, Chilukuri K. Mohan, Arindam Chakraborty

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A crucial objective in quantum chemistry is the computation of the energy levels of chemical systems. This task requires electron-repulsion integrals as inputs and the steep computational cost of evaluating these integrals poses a major numerical challenge in efficient implementation of quantum chemical software. This work presents a moment-based machine learning approach for the efficient evaluation of electron-repulsion integrals. These integrals were approximated using linear combinations of a small number of moments. Machine learning algorithms were applied to estimate the coefficients in the linear combination. A random forest approach was used to identify promising features using a recursive feature elimination approach, which performed best for learning the sign of each coefficient, but not the magnitude. A neural network with two hidden layers was then used to learn the coefficient magnitudes, along with an iterative feature masking approach to perform input vector compression, identifying a small subset of orbitals whose coefficients are sufficient for the quantum state energy computation. Finally, a small ensemble of neural networks (with a median rule for decision fusion) was shown to improve results when compared to a single network.

Keywords: Quantum energy calculations, atomic orbitals, electron-repulsion integrals, ensemble machine learning, random forests, neural networks, feature extraction.

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Authors: Olga Gimeno, Javier Rivas, Maria Carbajo, Teresa Borralho

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Potassium monopersulfate has been decomposed in aqueous solution in the presence of Co(II). The process has been simulated by means of a mechanism based on elementary reactions. Rate constants have been taken from literature reports or, alternatively, assimilated to analogous reactions occurring in Fenton's chemistry. Several operating conditions have been successfully applied.

Keywords: Monopersulfate, Oxone®, Sulfate radicals, Water treatment

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Authors: Zhaksyntay K. Kairbekov, Zhannur K. Myltykbaeva, Nazym T. Smagulova, Dariya K. Kanseitova

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In this paper we studied sono catalytic oxidative desulfurization of oil and diesel fraction from “Zhanazhol” oil deposits. We have established that the combined effect of the ultrasonic field and oxidant (ozone-air mixture) in the presence of the catalyst on the oil is potentially very effective method of desulfurization of oil and oil products. This method allows increasing the degree of desulfurization of oil by 62%.

Keywords: Desulfurization, diesel, oil, oil products, sonication.

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Authors: Houssam Hijazi, Laurent Cantrel, Jean-François Paul

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Periodic DFT calculations were performed to study the chemistry of CsI particles and the possible release of volatile iodine from CsI surfaces for nuclear safety interest. The results show that water adsorbs at low temperature associatively on the (011) surface of CsI, while water desorbs at higher temperatures. On the other hand, removing iodine species from the surface requires oxidizing the surface one time for each removed iodide atom. The activation energy of removing I₂ from the surface in the presence of two OH is 1,2 eV.

Keywords: Aerosols, CsI, reactivity, DFT, water adsorption.

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Authors: Areej Babiker Idris Babiker, Rosdiazli Ibrahim

Abstract:

Gas chromatography (GC) is the most widely used technique in analytical chemistry. However, GC has high initial cost and requires frequent maintenance. This paper examines the feasibility and potential of using a neural network model as an alternative whenever GC is unvailable. It can also be part of system verification on the performance of GC for preventive maintenance activities. It shows the performance of MultiLayer Perceptron (MLP) with Backpropagation structure. Results demonstrate that neural network model when trained using this structure provides an adequate result and is suitable for this purpose. cm.

Keywords: Analyzer, Levenberg-Marquardt, Gas chromatography, Neural network

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Authors: Keith D. Nare, Mohau J. Phiri, James Carson, Chris D. Woolard, Shanganyane P. Hlangothi

Abstract:

In an energy-intensive world, minimizing energy consumption is paramount to cost saving and reducing the carbon footprint. Improving mixture procedures utilizing warm mix additive Fischer-Tropsch (FT) wax in ethylene vinyl acetate (EVA) and modified bitumen highlights a greener and sustainable approach to modified bitumen. In this study, the impact of FT wax on optimized EVA/waste crumb rubber modified bitumen is assayed with a maximum loading of 2.5%. The rationale of the FT wax loading is to maintain the original maximum loading of EVA in the optimized mixture. The phase change abilities of FT wax enable EVA co-crystallization with the support of the elastomeric backbone of crumb rubber. Less than 1% loading of FT wax worked in the EVA/crumb rubber modified bitumen energy-sustainability nexus. Response surface methodology approach to the mixture design is implemented amongst the different loadings of FT wax, EVA for a consistent amount of crumb rubber and bitumen. Rheological parameters (complex shear modulus, phase angle and rutting parameter) were the factors used as performance indicators of the different optimized mixtures. The low temperature chemistry of the optimized mixtures is analyzed using elementary beam theory and the elastic-viscoelastic correspondence principle. Master curves and black space diagrams are developed and used to predict age-induced cracking of the different long term aged mixtures. Modified binder rheology reveals that the strain response is not linear and that there is substantial re-arrangement of polymer chains as stress is increased, this is based on the age state of the mixture and the FT wax and EVA loadings. Dominance of individual effects is evident over effects of synergy in co-interaction of EVA and FT wax. All-inclusive FT wax and EVA formulations were best optimized in mixture 4 with mixture 7 reflecting increase in ease of workability. Findings show that interaction chemistry of bitumen, crumb rubber EVA, and FT wax is first and second order in all cases involving individual contributions and co-interaction amongst the components of the mixture.

Keywords: Bitumen, crumb rubber, ethylene vinyl acetate, FT wax.

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Authors: Heinz Stockinger

Abstract:

Certain sciences such as physics, chemistry or biology, have a strong computational aspect and use computing infrastructures to advance their scientific goals. Often, high performance and/or high throughput computing infrastructures such as clusters and computational Grids are applied to satisfy computational needs. In addition, these sciences are sometimes characterised by scientific collaborations requiring resource sharing which is typically provided by Grid approaches. In this article, I discuss Grid computing approaches in High Energy Physics as well as in bioinformatics and highlight some of my experience in both scientific domains.

Keywords: Grid computing, Web services, physics, bioinformatics

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Authors: Ali Shoeb Moon, Moonyong Lee

Abstract:

The draw solute separation process in Forward Osmosis desalination was simulated in Aspen Plus chemical process modeling software, to estimate the energy consumption and compare it with other desalination processes, mainly the Reverse Osmosis process which is currently most prevalent. The electrolytic chemistry for the system was retrieved using the Elec – NRTL property method in the Aspen Plus database. Electrical equivalent of energy required in the Forward Osmosis desalination technique was estimated and compared with the prevalent desalination techniques.

Keywords: Desalination, Energy, Forward Osmosis, Separation

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