Search results for: quantum chemical methods

Authors: Rose Vanessa Bandeira Reidel, Bernardo Melai, Pier Luigi Cioni, Luisa Pistelli

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Ziziphus jujuba Miller is a common species of the Ziziphus genus (Rhamnaceae family) native to the tropics and subtropics known for its edible fruits, fresh consumed or used in healthy food, as flavoring and sweetener. Many phytochemicals and biological activities are described for this species. In this work, the aroma profiles emitted in vivo by whole fresh organs (leaf, bud flower, flower, green and red fruits) were analyzed separately by mean of solid phase micro-extraction (SPME) coupled with gas chromatography mass spectrometry (GC-MS). The emitted volatiles from different plant parts were analysed using Supelco SPME device coated with polydimethylsiloxane (PDMS, 100µm). Fresh plant material was introduced separately into a glass conical flask and allowed to equilibrate for 20 min. After the equilibration time, the fibre was exposed to the headspace for 15 min at room temperature, the fibre was re-inserted into the needle and transferred to the injector of the CG and CG-MS system, where the fibre was desorbed. All the data were submitted to multivariate statistical analysis, evidencing many differences amongst the selected plant parts and their developmental stages. A total of 144 compounds were identified corresponding to 94.6-99.4% of the whole aroma profile of jujube samples. Sesquiterpene hydrocarbons were the main chemical class of compounds in leaves also present in similar percentage in flowers and bud flowers where (E, E)-α-farnesene was the main constituent in all cited plant parts. This behavior can be due to a protection mechanism against pathogens and herbivores as well as resistance to abiotic factors. The aroma of green fruits was characterized by high amount of perillene while the red fruits release a volatile blend mainly constituted by different monoterpenes. The terpenoid emission of flesh fruits has important function in the interaction with animals including attraction of seed dispersers and it is related to a good quality of fruits. This study provides for the first time the chemical composition of the volatile emission from different Ziziphus jujuba organs. The SPME analyses of the collected samples showed different patterns of emission and can contribute to understand their ecological interactions and fruit production management.

Keywords: Rhamnaceae, aroma profile, jujube organs, HS-SPME, GC-MS

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Authors: YU Kaijun, Liang Dong, Zhang Yarong, Jin Zhenzhou, Yang Zhaobao

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For the impact monitoring of distributed structures, the traditional positioning methods are based on the time difference, which includes the four-point arc positioning method and the triangulation positioning method. But in the actual operation, these two methods have errors. In this paper, the Multi-Agent Blackboard Coordination Principle is used to combine the two methods. Fusion steps: (1) The four-point arc locating agent calculates the initial point and records it to the Blackboard Module.(2) The triangulation agent gets its initial parameters by accessing the initial point.(3) The triangulation agent constantly accesses the blackboard module to update its initial parameters, and it also logs its calculated point into the blackboard.(4) When the subsequent calculation point and the initial calculation point are within the allowable error, the whole coordination fusion process is finished. This paper presents a Multi-Agent collaboration method whose agent framework is JADE. The JADE platform consists of several agent containers, with the agent running in each container. Because of the perfect management and debugging tools of the JADE, it is very convenient to deal with complex data in a large structure. Finally, based on the data in Jade, the results show that the impact location method based on Multi-Agent coordination fusion can reduce the error of the two methods.

Keywords: impact monitoring, structural health monitoring(SHM), multi-agent system(MAS), black-board coordination, JADE

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Authors: Awal Liman Sale

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The world is fast becoming a global village; and a necessary tool for this process is communication, of which telecommunication is a key player. The quantum development is very rapid as one innovation replaces another in a matter of weeks. Interconnected phone calls across the different Nigerian Telecom service providers are mostly difficult to connect and often diverted, incurring unnecessary charges on the customers. This compels the consumers to register and use multiple subscriber information modules (SIM) so that they can switch to another if one fails. This study aims to identify and prioritize the key factors in selecting telecom service providers by subscribers in Nigeria using the Analytical Hierarchy Process (AHP) in order to match the factors with the GSM network providers and create a hierarchical structure. Opinions of 400 random subscribers of different service providers will be sought using the questionnaire. In general, four components and ten sub-components will be examined in this study. After determining the weight of these components, the importance of each in choosing the service will be prioritized in Nigeria.

Keywords: analytical hierarchy process, global village, Nigerian telecommunication, subscriber information modules

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Authors: Vipresh Mehta , Aman Abhishek, Jatin Batra, Gautam Iyer

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Huge amount of solar radiation reaching the earth can be harnessed to provide electricity through Photo voltaic (PV) panels. The solar PV is an exciting technology but suffers from low efficiency. A study on low efficiency in multi MW solar power plants reveals that the electric yield of the PV modules is reduced due to reflection of the irradiation from the sun and when a module’s temperature is elevated, as there is decrease in the voltage and efficiency. We intend to alter the structure of the PV system, We also intend to improve the efficiency of the Solar Photo Voltaic Panels by active cooling to reduce the temperature losses considerably and decrease reflection losses to some extent. Reflectors/concentrators and anti-reflecting coatings are also used to intensify the amount of output produced from the system. Apart from this, transformer-less Grid-tied Inverter. And also, a T-LCL immitance circuit is used to reduce the harmonics and produce a constant output from the entire system.

Keywords: PV panels, efficiency improvement, active cooling, quantum dots, organic-inorganic hybrid 3D panel, ground water tunneling

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Authors: K. Premakumar, D. S. Rushani, H. N. Hettiarachchi

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The production and consumption of preserved foods have gained much importance due to globalization, and they provide a health benefit apart from the basic nutritional functions. Therefore, a study was conducted to develop a jam incorporating carrot, banana, and lime. Considering the findings of several preliminary studies, five formulations of the jam were prepared by blending different percentages of carrot and banana including control (where the only carrot was added). The freshly prepared formulations were subjected to physicochemical and sensory analysis.Physico-Chemical parameters such as pH, TSS, titrable acidity, ascorbic acid content, total sugar and non-reducing sugar and organoleptic qualities such as colour, aroma, taste, spread ability and overall acceptability and microbial analysis (total plate count) were analyzed after formulations. Physico-Chemical Analysis of the freshly prepared Carrot –Banana Blend jam showed increasing trend in titrable acidity (from 0.8 to 0.96, as % of citric acid), TSS (from 70.05 to 67.5 0Brix), ascorbic acid content (from 0.83 to 11.465 mg/100ml), reducing sugar (from 15.64 to 20.553%) with increase in carrot pulp from 50 to 100%. pH, total sugar, and non-reducing sugar were also reduced when carrot concentration is increased. Five points hedonic scale was used to evaluate the organoleptic characters. According to Duncan's Multiple Range Test, the mean scores for all the assessed sensory characters varied significantly (p<0.05) in the freshly made carrot-banana blend jam formulations. Based on the physicochemical and sensory analysis, the most preferred carrot: banana combinations of 50:50, 100:0 and 80:20 (T1, T2, and T5) were selected for storage studies.The formulations were stored at 300 °C room temperature and 70-75% of RH for 12 weeks. The physicochemical characteristics were measured at two weeks interval during storage. The decreasing trends in pH and ascorbic acid and an increasing trend in TSS, titrable acidity, total sugar, reducing sugar and non-reducing sugar were noted with advancement of storage periods of 12 weeks. The results of the chemical analysis showed that there were significance differences (p<0.05) between the tested formulations. Sensory evaluation was done for carrot –banana blends jam after a period of 12 weeks through a panel of 16 semi-trained panelists. The sensory analysis showed that there were significant differences (p<0.05) for organoleptic characters between carrot-banana blend jam formulations. The highest overall acceptability was observed in formulation with 80% carrot and 20% banana pulp. Microbiological Analysis was carried out on the day of preparation, 1 month, 2 months and 3 months after preparation. No bacterial growth was observed in the freshly made carrot -banana blend jam. There were no counts of yeast and moulds and coliforms in all treatments after the heat treatments and during the storage period. Only the bacterial counts (Total Plate Counts) were observed after three months of storage below the critical level, and all formulations were microbiologically safe for consumption. Based on the results of physio-chemical characteristics, sensory attributes, and microbial test, the carrot –banana blend jam with 80% carrot and 20% banana (T2) was selected as best formulation and could be stored up to 12 weeks without any significant changes in the quality characteristics.

Keywords: formulations, physicochemical parameters, microbiological analysis, sensory evaluation

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Authors: S. Mousavian, A. Abedianpour, A. Khanmohammadi, S. Hematian, Gh. Eidi Veisi

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Distillation is one of the most important and utilized separation methods in the industrial practice. There are different ways to design of distillation column. One of these ways is short cut method. In short cut method, material balance and equilibrium are employed to calculate number of tray in distillation column. There are different methods that are classified in short cut method. One of these methods is Fenske-Underwood-Gilliland method. In this method, minimum reflux ratio should be calculated by underwood equation. Underwood proposed an equation that is useful for simple distillation column with one feed and one top and bottom product. In this study, underwood method is developed to predict minimum reflux ratio for column with one side stream upper than feed. The result of this model compared with McCabe-Thiele method. The result shows that proposed method able to calculate minimum reflux ratio with very small error.

Keywords: minimum reflux ratio, side stream, distillation, Underwood’s method

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Authors: Ali Bolat, Ali Bayat, Mustafa Gullu

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Maize can be cultivated both under main and second crop conditions in Turkey. Main pests of maize under second crop conditions are Sesamia nonagrioides Lefebvre (Lepidoptera: Noctuidae) and Ostrinia nubilalis Hübner (Lepidoptera: Crambidae). Aerial spraying applications to control these two main maize pests can be carried out until 2006 in Turkey before it was banned due to environmental concerns like drifting of sprayed pestisides and low biological efficiency. In this context, pulverizers which can spray tall maize plants ( > 175 cm) from the ground have begun to be used. However, the biological efficiency of these sprayers is unknown. Some methods have been tested to increase the success of ground spraying in field experiments conducted in second crop maize in 2008 and 2009. For this aim, 6 spraying methods (air assisted spraying with TX cone jet, domestic cone nozzles, twinjet nozzles, air induction nozzles, standard domestic cone nozzles and tail booms) were used at two application rates (150 and 300 l.ha-1) by a sprayer. In the study, biological efficacy evaluations of each methods were measured in each parcel. Biological efficacy evaluations included counts of number of insect damaged plants, number of holes in stems and live larvae and pupa in stems of selected plants. As a result, the highest biological efficacy value (close to 70%) was obtained from Air Assisted Spraying method at 300 l / ha application volume.

Keywords: air assisted sprayer, drift nozzles, biological efficiency, maize plant

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Authors: Essam Al Daoud

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Gradient boosting methods have been proven to be a very important strategy. Many successful machine learning solutions were developed using the XGBoost and its derivatives. The aim of this study is to investigate and compare the efficiency of three gradient methods. Home credit dataset is used in this work which contains 219 features and 356251 records. However, new features are generated and several techniques are used to rank and select the best features. The implementation indicates that the LightGBM is faster and more accurate than CatBoost and XGBoost using variant number of features and records.

Keywords: gradient boosting, XGBoost, LightGBM, CatBoost, home credit

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Authors: Eugenija Strazdiene, Violeta Bytautaite, Daivute Krisciuniene

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The object of the investigation is the suit for chemical protection, which totally covers human body together with breathing apparatus, breathing mask and helmet (JSC Ansell Protective Solutions Lithuania). The end users of such clothing are the members of rescue team – firefighters. During the presentation, the results of 3D scanning with stationary Human Solutions scanner and portable Artec Eva scanner will be compared on the basis of the efficiency of scanning procedure and scanning accuracy. Also, the possibilities to exporting scanned bodies into specialized CAD systems for suit design development and material consumption calculation will be analyzed. The necessity to understand and to implement corresponding clothing material properties during 3D visualization of garment on CAD systems will be presented. During the presentation, the outcomes of the project ‘Smart and Safe Work Wear Clothing SWW’ will be discussed. The project is carried out under the Interreg Baltic Sea Region Program as 2014-2020 European territorial cooperation objective. Thematic priority is Capacity for Innovation. The main goal of the project is to improve competitiveness and to increase business possibilities for work wear enterprises in the Baltic Sea Region. The project focuses on mass customization of products for various end users. It engages textile and clothing manufacturing technology researchers, work wear producers, end users, as well as national textile and clothing branch organizations in Finland, Lithuania, Latvia, Estonia and Poland.

Keywords: CAD systems, mass customization, 3D scanning, safe work wear

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Authors: Sibusiso Trevor Tshabalala, Samuel Lubbe, Vince Vuledzani Ndou

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Dependency on chemicals has had many disadvantages in pest management control strategies. Such genetic rodenticide resistance and secondary exposure risk are what is currently being experienced. Emphasis on integrated pest management suggests that to control future pests, early intervention and economic threshold development are key starting points in crop production. The significance of this research project is to help establish a relationship between Giant African Land Snail (Achatina Fulica) solution extract, its shell chemical properties, and farmer’s perceptions of biological control in eThekwini Municipality Agri-hubs. A mixed design approach to collecting data will be explored using a trial layout in the field and through interviews. The experimental area will be explored using a split-plot design that will be replicated and arranged in a randomised complete block design. The split-plot will have 0, 10, 20 and 30 liters of water to one liter of snail solution extract. Plots were 50 m² each with a spacing of 12 m between each plot and a plant spacing of 0.5 m (inter-row) ‘and 0.5 m (intra-row). Trials will be irrigated using sprinkler irrigation, with objective two being added to the mix every 4-5 days. The expected outcome will be improved soil fertility and micro-organisms population proliferation.

Keywords: giant african land snail, integrated pest management, photosynthesis, genetic rodenticide resistance, control future pests, shell chemical properties

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Authors: H. El Shayab, G. M. Kamh, N. G. Abdel Ghafour, M. L. Abdel Latif

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Nowadays, marbleized limestone becomes one of the most important sources of the mineral wealth in Egypt as they have beautiful colors (white, grey, rose, yellow and creamy, etc.) make it very suitable for decoration purposes. Non-styolitic marbleized limestone which not contains styolitic surfaces. The current study aims to study different factors controlling durability of non-styolitic marbleized limestone against salt crystallization weathering. The achievement aim of the research was required nine representative samples were collected from the studied areas. Three samples from each of the studied areas. The studied samples was characterized by various instrumental methods before salt weathering, to determine its mineralogical composition, chemical composition and pore physical properties respectively. The obtained results revealed that both of Duwi and Delga studied samples nearly have the same average ∆M% 1.63 and 1.51 respectively and consequently A.I. stage of deformation. On the other hand, average ∆M% of Wata studied samples is 0.29 i.e. lower than two other studied areas. Wata studied samples are more durable against salt crystallization test than Duwi and Delga. The difference in salt crystallization durability may be resulted from one of the following factors: Microscopic textural effect as both of micrite and skeletal percent are in directly proportional to durability of stones to salt weathering. Dolomite mineral present as a secondary are in indirectly proportional to durability of stones to salt weathering. Increase in MgO% also associated with decrease the durability of studied samples against salt crystallization test. Finally, all factors affecting positively against salt crystallization test presents in Wadi Wata studied samples rather than others two areas.

Keywords: marbleized limestone, salt weathering, Wata, salt weathering

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Authors: Amare Setegn Enyew, Bikila Teklu Wodajo

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The primary aim of flexible pavement design is to ensure the development of economical and safe road infrastructure. However, failures can still occur due to improper or erroneous structural design. In Ethiopia, the design of flexible pavements relies on doing calculations manually and selecting pavement structure from catalogue. The catalogue offers, in eight different charts, alternative structures for combinations of traffic and subgrade classes, as outlined in the Ethiopian Roads Authority (ERA) Pavement Design Manual 2001. Furthermore, design modification is allowed in accordance with the structural number principles outlined in the AASHTO 1993 Guide for Design of Pavement Structures. Nevertheless, the manual calculation and design process involves the use of nomographs, charts, tables, and formulas, which increases the likelihood of human errors and inaccuracies, and this may lead to unsafe or uneconomical road construction. To address the challenge, a software called AASHERA has been developed for AASHTO 1993 and ERA design methods, using MATLAB language. The software accurately determines the required thicknesses of flexible pavement surface, base, and subbase layers for the two methods. It also digitizes design inputs and references like nomographs, charts, default values, and tables. Moreover, the software allows easier comparison of the two design methods in terms of results and cost of construction. AASHERA's accuracy has been confirmed through comparisons with designs from handbooks and manuals. The software can aid in reducing human errors, inaccuracies, and time consumption as compared to the conventional manual design methods employed in Ethiopia. AASHERA, with its validated accuracy, proves to be an indispensable tool for flexible pavement structure designers.

Keywords: flexible pavement design, AASHTO 1993, ERA, MATLAB, AASHERA

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Authors: Chau Nguyen Pham Minh

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The aim of this study is to answer the following research question: What do we know about virtual customer integration in innovation development based on existing empirical research? The paper is based on a systematic review of 136 articles which were published in the past 16 years. The analysis focuses on three areas: what forms of virtual customer integration (e.g. netnography, online co-creation, virtual experience) have been applied in innovation development; how have virtual customer integration methods effectively been utilized by firms; and what are the influences of virtual customer integration on innovation development activities? Through the detailed analysis, the study provides researchers with broad understanding about virtual customer integration in innovation development. The study shows that practitioners and researchers increasingly pay attention on using virtual customer integration methods in developing innovation since those methods have dominant advantages in interact with customers in order to generate the best ideas for innovation development. Additionally, the findings indicate that netnography has been the most common method in integrating with customers for idea generation; while virtual product experience has been mainly used in product testing. Moreover, the analysis also reveals the positive and negative influences of virtual customer integration in innovation development from both process and strategic perspectives. Most of the review studies examined the phenomenon from company’s perspectives to understand the process of applying virtual customer integration methods and their impacts; however, the customers’ perspective on participating in the virtual interaction has been inadequately studied; therefore, it creates many potential interesting research paths for future studies.

Keywords: innovation, virtual customer integration, co-creation, netnography, new product development

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Authors: Pradeepa Teegala, Ramreddy Chetteti

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This work emphasizes the effects of heat generation/absorption and Joule heating on chemically reacting micropolar fluid flow over a truncated cone with convective boundary condition. For this complex fluid flow problem, the similarity solution does not exist and hence using non-similarity transformations, the governing fluid flow equations along with related boundary conditions are transformed into a set of non-dimensional partial differential equations. Several authors have applied the spectral quasi-linearization method to solve the ordinary differential equations, but here the resulting nonlinear partial differential equations are solved for non-similarity solution by using a recently developed method called the spectral quasi-linearization method (SQLM). Comparison with previously published work on special cases of the problem is performed and found to be in excellent agreement. The influence of pertinent parameters namely Biot number, Joule heating, heat generation/absorption, chemical reaction, micropolar and magnetic field on physical quantities of the flow are displayed through graphs and the salient features are explored in detail. Further, the results are analyzed by comparing with two special cases, namely, vertical plate and full cone wherever possible.

Keywords: chemical reaction, convective boundary condition, joule heating, micropolar fluid, spectral quasilinearization method

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Authors: Kika Ioannou Kazamia

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This paper examines the action research cycle of the second phase of longitudinal research on sustainable interior design practices, between two groups of stakeholders, designers and clients. During this phase of the action research, the second step - the change stage - of Lewin’s change management model has been utilized to change values, approaches, and attitudes toward sustainable design practices among the participants. Affective domain learning theory is utilized to attach new values. Learning with the use of information technology, collaborative learning, and problem-based learning are the learning methods implemented toward the acquisition of the objectives. Learning methods, and aims, require the design of interventions with participants' involvement in activities that would lead to the acknowledgment of the benefits of sustainable practices. Interventions are steered to measure participants’ decisions for the worth and relevance of ideas, and experiences; accept or commit to a particular stance or action. The data collection methods used in this action research are observers’ reports, participants' questionnaires, and interviews. The data analyses use both quantitative and qualitative methods. The main beneficial aspect of the quantitative method was to provide the means to separate many factors that obscured the main qualitative findings. The qualitative method allowed data to be categorized, to adapt the deductive approach, and then examine for commonalities that could reflect relevant categories or themes. The results from the data indicate that during the second phase, designers and clients' participants altered their behaviours.

Keywords: design, change, sustainability, learning, practices

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Authors: Akiyoshi Wakatani

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This paper describes the Message Passing Interface (MPI) implementation of ADETRAN language, and its evaluation on SX-ACE supercomputers. ADETRAN language includes pdo statement that specifies the data distribution and parallel computations and pass statement that specifies the redistribution of arrays. Two methods for implementation of pass statement are discussed and the performance evaluation using Splitting-Up CG method is presented. The effectiveness of the parallelization is evaluated and the advantage of one dimensional distribution is empirically confirmed by using the results of experiments.

Keywords: iterative methods, array redistribution, translator, distributed memory

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Authors: Nesrine Lenchi, Salima Kebbouche-Gana, Laddada Belaid, Mohamed Lamine Khelfaoui, Mohamed Lamine Gana

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Saline lakes are extreme hypersaline environments that are considered five to ten times saltier than seawater (150 – 300 g L-1 salt concentration). Hypersaline regions differ from each other in terms of salt concentration, chemical composition and geographical location, which determine the nature of inhabitant microorganisms. In order to explore the diversity of moderate and extreme halophiles Bacteria in Chott Tinsilt (East of Algeria), an isolation program was performed. In the first time, water samples were collected from the saltern during pre-salt harvesting phase. Salinity, pH and temperature of the sampling site were determined in situ. Chemical analysis of water sample indicated that Na +and Cl- were the most abundant ions. Isolates were obtained by plating out the samples in complex and synthetic media. In this study, seven halophiles cultures of Bacteria were isolated. Isolates were studied for Gram’s reaction, cell morphology and pigmentation. Enzymatic assays (oxidase, catalase, nitrate reductase and urease), and optimization of growth conditions were done. The results indicated that the salinity optima varied from 50 to 250 g L-1, whereas the optimum of temperature range from 25°C to 35°C. Molecular identification of the isolates was performed by sequencing the 16S rRNA gene. The results showed that these cultured isolates included members belonging to the Halomonas, Staphylococcus, Salinivibrio, Idiomarina, Halobacillus Thalassobacillus and Planococcus genera and what may represent a new bacterial genus.

Keywords: bacteria, Chott, halophilic, 16S rRNA

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Authors: Angelica Salmeron Alcocer, Deifilia Ahuatzi Chacon, Felipe Rodriguez Casasola

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Polycyclic aromatic hydrocarbons (PAHs) are produced naturally (forest fires, volcanic eruptions) and human activity (burning fossil fuels). Concern for PAHs is due to their toxic, mutagenic and carcinogenic effects and so pose a potential risk to human health and ecology. Therefore these are considered the most toxic components of oil, they are highly hydrophobic, making them easily depositable on the floor, air and water. One method of removing PAHs of contaminated soil used surfactants such as Tween 80, which it has been reported as less toxic and also increases the solubility of the PAH compared to other surfactants, fluoranthene is a PAH with molecular formula C16H10, its name derives from the fluorescence which presents to UV light. In this paper, a study of the fluoranthene removal solubilized with Tween 80 in synthetic wastewater using a microbial community (isolated from soil of coffee plantations in the state of Veracruz, Mexico) and Fenton oxidation method was performed. The microbial community was able to use both tween 80 and fluoranthene as carbon sources for growth, when the biological treatment in batch culture was applied, 100% of fluoranthene was mineralized, this only occurred at an initial concentration of 100 ppm, but by increasing the initial concentration of fluoranthene the removal efficiencies decay and degradation time increases due to the accumulation of byproducts more toxic or less biodegradable, however when the Fenton oxidation was previously applied to the biological treatment, it was observed that removal of fluoranthene improved because it is consumed approximately 2.4 times faster.

Keywords: fluoranthene, polycyclic aromatic hydrocarbons, biological treatment, fenton oxidation

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Authors: Priya Tomar, Pallavi Mittal

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Bioremediation has been recognized as an environment friendly and less expensive method which involves the natural processes resulting in the efficient conversion of hazardous compounds into innocuous products. The pulp and paper mill effluent is one of the high polluting effluents amongst the effluents obtained from polluting industries. The colouring body present in the wastewater from pulp and paper mill is organic in nature and is comprised of wood extractives, tannin, resins, synthetic dyes, lignin, and its degradation products formed by the action of chlorine on lignin which imparts an offensive colour to the water. These mills use different chemical process for paper manufacturing due to which lignified chemicals are released into the environment. Therefore, the chemical oxygen demand (COD) of the emanating stream is quite high. For solving the above problem we present this paper with some new techniques that were developed for the efficiency of paper mill effluents. In the present study we utilized the consortia of fungal and bacterial strain and the treatment named as C1, C2, and C3 for the decolourization of paper mill effluent. During the study, role of carbon source i.e. glucose was studied for decolourization. From the results it was observed that a maximum colour reduction of 66.9%, COD reduction of 51.8%, TSS reduction of 0.34%, TDS reduction of 0.29% and pH changes of 4.2 is achieved by consortia of Aspergillus niger with Pseudomonas aeruginosa. Data indicated that consortia of Aspergillus niger with Pseudomonas aeruginosa is giving better result with glucose.

Keywords: bioremediation, decolourization, black liquor, mycoremediation

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Authors: Iklass Hamaili, Fehdi Chemseddine

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Morphostructural, hydrogeological and hydrochemical approaches were applied in this study to characterize the groundwater system of Hammamet Plain, Eastern part of Algeria and its potential for exploitation. The analysis of the fractures in several Mountains forming the natural boundaries of Hammamet plain, with faults of markedly different sizes and joints measured at 21 stations, demonstrate the presence of two principal directions of fractures (NNW-SSE and NNE-SSW). From a hydrogeological standpoint, these two mountains constitute a unit limited by faults-oriented ENE-WSW, NNW-SSE and NNE-SSW. Specifically, fractures of the latter two directions influence the compartmentalization and the hydrogeological functioning of this unit. According to the degree of fracturing and/or karstification, two basic types of aquiferous behavior have been distinguished: fissured aquifer (Essen Mountain and Troubia Mountain), and porous aquifer (Hammamet basin). After sampling and measurement operations, the quantity of chemical components was determined. Thus, the study of the hydrochemical characteristics of this groundwater shows on Piper’s diagram that the majority of them are mainly HCO₃- and Ca₂+ water types. The ionic speciation and mineral dissolution/precipitation were calculated by PHREEQC package software. The chemical composition of the water is influenced by the dissolution and/or precipitation processes during the water-rock interaction and by the cationic exchange reactions between groundwater and alluvial sediments. The high content of CO₂ in the water samples suggests that they circulate in a geochemical opened system.

Keywords: aquifer, hydrogeology, hydrochemistry, Hammamet, Tebessa, Algeria

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Authors: Hajnalka Szarvas

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The research examines the effectiveness of e-participation tools and methods from a point of view of cultural fitting to the Hungarian community traditions. Participation can have very different meanings depending on the local cultural and historical traditions, experiences of the certain societies. Generally when it is about e-democracy or e-participation tools most of the researches are dealing with its technological sides and novelties, but there is not much said about the cultural and social context of the different platforms. However from the perspective of their success it would be essential to look at the human factor too, the actual users, how the certain DMS or any online platform is fitting to the way of thought, the way of functioning of the certain society. Therefore the paper will explore that to what extent the different online platforms like Loomio, Democracy OS, Your Priorities EVoks, Populus, miutcank.hu, Liquid Democracy, Brain Bar Budapest Lab are compatible with the Hungarian mental structures and community traditions, the contents of collective mind about community functioning. As a result the influence of cultural embeddedness of the logic of e-participation development tools on success of these methods will be clearly seen. Furthermore the most crucial factors in general which determine the efficiency of e-participation development tools in Hungary will be demonstrated.

Keywords: cultural embeddedness, e-participation, local community traditions, mental structures

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Authors: C. S. Wong, K. H. Badri, N. Ataollahi, K. P. Law, M. S. Su’ait, N. I. Hassan

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Novel bio-based polymer electrolyte was synthesized with LiClO4 as the main source of charge carrier. Initially, polyurethane-LiClO4 polymer electrolytes were synthesized via polymerization method with different NCO/OH ratios and labelled as PU1, PU2, PU3, and PU4. Subsequently, the chemical, thermal properties and ionic conductivity of the films produced were determined. Fourier transform infrared (FTIR) analysis indicates the co-ordination between Li+ ion and polyurethane in PU1 due to the greatest amount of hard segment of polyurethane in PU1 as proven by soxhlet analysis. The structures of polyurethanes were confirmed by 13 nuclear magnetic resonance spectroscopy (13C NMR) and FTIR spectroscopy. Differential scanning calorimetry (DSC) analysis indicates PU 1 has the highest glass transition temperature (Tg) corresponds to the most abundant urethane group which is the hard segment in PU1. Scanning electron microscopy (SEM) of the PU-LiClO4 shows the good miscibility between lithium salt and the polymer. The study found that PU1 possessed the greatest ionic conductivity (1.19 × 10-7 S.cm-1 at 298 K and 5.01 × 10-5 S.cm-1 at 373 K) and the lowest activation energy, Ea (0.32 eV) due to the greatest amount of hard segment formed in PU 1 induces the coordination between lithium ion and oxygen atom of carbonyl group in polyurethane. All the polyurethanes exhibited linear Arrhenius variations indicating ion transport via simple lithium ion hopping in polyurethane. This research proves the NCO content in polyurethane plays an important role in affecting the ionic conductivity of this polymer electrolyte.

Keywords: ionic conductivity, palm kernel oil-based monoester-OH, polyurethane, solid polymer electrolyte

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Authors: Alya A. Arabi

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Bioisosteres are functional groups that can be interchangeably used without affecting the potency of the drug. Bioisosteres have similar pharmacological properties. Bioisosterism is useful for modifying the physicochemical properties of a drug while obeying the Lipinski’s rules. Bioisosteres are key in optimizing the pharmacokinetic and pharmacodynamics properties of a drug. Tetrazole and carboxylate anions are non-classic bioisosteres. Density functional theory was used to obtain the wavefunction of the molecules and the optimized geometries. The quantum theory of atoms in molecules (QTAIM) was used to uncover the similarity of the average electron density in tetrazole and carboxylate anions. This similarity between the bioisosteres capped by a methyl group was valid despite the fact that the groups have different volumes, charges, energies, or electron populations. The biochemical correspondence of tetrazole and carboxylic acid was also determined to be a result of the similarity of the topography of the electrostatic potential (ESP). The ESP demonstrates the pharmacological and biochemical resemblance for a matching “key-and-lock” interaction.

Keywords: bioisosteres, carboxylic acid, density functional theory, electrostatic potential, tetrazole

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Authors: Rahul Madathiparambil Visalakshan, Alex Cavallaro, John Hayball, Krasimir Vasilev

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The role of biomaterial surface nanotopograhy on fibrinogen adsorption and unfolding, and the subsequent immune response were studied. Inconsistent topography and varying chemical functionalities along with a lack of reproducibility pose a challenge in determining the specific effects of nanotopography or chemistry on proteins and cells. It is important to have a well-defined nanotopography with a homogeneous chemistry to study the real effect of nanotopography on biological systems. Therefore, we developed a technique that can produce well-defined and highly reproducible topography to identify the role of specific roughness, size, height and density with the presence of homogeneous chemical functionality. Using plasma polymerisation of oxazoline monomers and immobilized gold nanoparticles we created surfaces with an equal number density of nanoparticles of different sizes. This surface was used to study the role of surface nanotopography and the interplay of surface chemistry on proteins and immune cells. The effect of nanotopography on fibrinogen adsorption was investigated using Quartz Cristal Microbalance with Dissipation and micro BCA. The mass of fibrinogen adsorbed on the surface increased with increasing size of nano-topography. Protein structural changes up on adsorption to the nano rough surface was studied using circular dichroism spectroscopy. Fibrinogen unfolding varied depending on the specific nanotopography of the surfaces. It was revealed that the in vitro immune response to the nanotopography surfaces changed due to this protein unfolding.

Keywords: biomaterial inflammation, protein and cell responses, protein unfolding, surface nanotopography

Procedia PDF Downloads 176

Authors: Bin Liu

Abstract:

As one of the most important tasks in protein sequence analysis, protein remote homology detection has been studied for decades. Currently, the profile-based methods show state-of-the-art performance. Position-Specific Frequency Matrix (PSFM) is widely used profile. However, there exists noise information in the profiles introduced by the amino acids with low frequencies. In this study, we propose a method to remove the noise information in the PSFM by removing the amino acids with low frequencies called Top frequency profile (TFP). Three new matrix transformation methods, including Autocross covariance (ACC) transformation, Tri-gram, and K-separated bigram (KSB), are performed on these profiles to convert them into fixed length feature vectors. Combined with Support Vector Machines (SVMs), the predictors are constructed. Evaluated on two benchmark datasets, and experimental results show that these proposed methods outperform other state-of-the-art predictors.

Keywords: protein remote homology detection, protein fold recognition, top frequency profile, support vector machines

Procedia PDF Downloads 125

Authors: Abinaya Balasubramanian, Satyabrata Ghosh, Satyahari Dey

Abstract:

Non-Digestible Oligosaccharides(NDOs) are low molecular weight carbohydrates with degree of polymerization (DP) 3-20, that are delivered intact to the large intestine. NDOs are gaining attention as effective prebiotic molecules that facilitate prevention and treatment of several chronic diseases. Recently, NDOs are being obtained by cleaving complex polysaccharides as it results in high yield and also as the former tend to display greater bioactivity. Thelebolus sp. IITKGP BT-12, a recently identified psychrophilic, Ascomycetes fungus has been reported to produce a bioactive extracellular polysaccharide(EPS). The EPS has been proved to possess strong prebiotic activity and anti- proliferative effects. The current study is an attempt to identify and optimise the most suitable method for hydrolysis of the above mentioned novel EPS into NDOs, and further purify and characterise the same. Among physical, chemical and enzymatic methods, enzymatic hydrolysis was identified as the best method and the optimum hydrolysis conditions obtained using response surface methodology were: reaction time of 24h, β-(1,3) endo-glucanase concentration of 0.53U and substrate concentration of 10 mg/ml. The NDOs were purified using gel filtration chromatography and their molecular weights were determined using MALDI-TOF. The major fraction was found to have a DP of 7,8. The monomeric units of the NDOs were confirmed to be glucose using TLC and GCMS-MS analysis. The obtained oligosaccharides proved to be non-digestible when subjected to gastric acidity, salivary and pancreatic amylases and hence could serve as efficient prebiotics.

Keywords: characterisation, enzymatic hydrolysis, non-digestible oligosaccharides, response surface methodology

Procedia PDF Downloads 129

Authors: A. Didaoui, N. Benhalima, M. Elkeurti, A. Chouaih, F. Hamzaoui

Abstract:

The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G (d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G (d,p) method show good agreement with xperimental X-ray data. The polarizability and first order hyperpolarizabilty of the title molecule were calculated and interpreted. the intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 03 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that N-(2-Methylphenyl)-2-nitrobenzenesulfonamide molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, Gaussian 03, NLO, N-(2-Methylphenyl)-2-nitrobenzenesulfonamide

Procedia PDF Downloads 549

Authors: Teresa B. King

Abstract:

In the millennial age, with more students desiring a fashion major yet fewer having sewing and manufacturing knowledge, this increases demand on academicians to adequately educate. While fashion museums have a prominent place for historical preservation, the need for apparel education via working collections of handmade or mass manufactured apparel is lacking in most universities in the United States, especially in the Southern region. Created in 1988, Middle Tennessee State University’s historic clothing collection provides opportunities to study apparel construction methods throughout history, to compare and apply to today’s construction and manufacturing methods, as well as to learn the cyclical nature/importance of historic styles on current and upcoming fashion. In 2019, a class exercise experiment was implemented for which students researched their family genealogy using Ancestry.com, identified the oldest visual media (photographs, etc.) available, and analyzed the garment represented in said media. The student then located a comparable garment in the historic collection and evaluated the construction methods of the ancestor’s time period. A class 'fashion' genealogy tree was created and mounted for public viewing/education. Results of this exercise indicated that student learning increased due to the 'personal/familial connection' as it triggered more interest in historical garments as related to the student’s own personal culture. Students better identified garments regarding the historical time period, fiber content, fabric, and construction methods utilized, thus increasing learning and retention. Students also developed increased learning and recognition of custom construction methods versus current mass manufacturing techniques, which impact today’s fashion industry. A longitudinal effort will continue with the growth of the historic collection and as students continue to utilize the historic clothing collection.

Keywords: ancestry, clothing history, fashion history, genealogy, historic fashion museum collection

Procedia PDF Downloads 136

Authors: Amani Aljahani

Abstract:

The purpose of the study was to identify the physical and chemical properties of pomegranate juices and to evaluate their sensory quality. The samples were collected from the local markets and included four types of pomegranate produced in the western and southern region of the kingdom. The juices were extracted by manual squeezing and by centrifugal force. The juices were analyzed periodically for their content of organic acids, total acidity, glucose and fructose, total sugars, and the anthosianine. A panel of 30 judges evaluated the juices for their color, smell, taste, consistency and general acceptance using a prepared scale for that purpose. Result showed that pomegranate juices were acidic in nature (PH between 3.56–4.27). The major organic acids were citric, tartaric, malic, and oxalic aids total organic acidity was between 596.32–763.49 ng/100 ml and increased over storage time, however; total acidity almost stable over time except for the southern produced. The major monosaccharide's in pomegranate juices were glucose and fructose. Their concentration in the juice varied by storage. On the average glucose concentration was between 6.68–7.71 g/100 ml while fructose concentration was between 6.72–7.98 g/100 ml. total sugars content was 16% on the average and dropped by storage. Anthosianine concertration increased after five hours of storage then dropped and stabilized over time regardless of method of treatment. In addition, sensory evaluation of the juices showed general acceptance of them as of color, flavor, and constercy but the preferred one was with that of the western kind extracted by squeezing.

Keywords: extracting, pomegranate, juice, quality

Procedia PDF Downloads 350

Authors: N. Khelloul, N. Benhalima, A. Chouaih, F. Hamzaoui

Abstract:

The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G (d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G (d,p) method shows good agreement with experimental X-ray data. The polarizability and first order hyperpolarizabilty of the title molecule were calculated and interpreted. The intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 09 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that 2-Chloro-N-(2-methylphenyl) benzamide 2 molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, HOMO, LUMO, NLO

Procedia PDF Downloads 339