Search results for: molecular modelling

Authors: E. O. Okan, A. Kepic, P. Williams

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Iron oxide copper gold (IOCG) deposits constitute important sources of copper and gold in Australia especially since the discovery of the supergiant Olympic Dam deposits in 1975. They are considered to be metasomatic expressions of large crustal-scale alteration events occasioned by intrusive actions and are associated with felsic igneous rocks in most cases, commonly potassic igneous magmatism, with the deposits ranging from ~2.2 –1.5 Ga in age. For the past two decades, geological, geochemical and potential methods have been used to identify the structures hosting these deposits follow up by drilling. Though these methods have largely been successful for shallow targets, at deeper depth due to low resolution they are limited to mapping only very large to gigantic deposits with sufficient contrast. As the search for ore-bodies under regolith cover continues due to depletion of the near surface deposits, there is a compelling need to develop new exploration technology to explore these deep seated ore-bodies within 1-4km which is the current mining depth range. Seismic reflection method represents this new technology as it offers a distinct advantage over all other geophysical techniques because of its great depth of penetration and superior spatial resolution maintained with depth. Further, in many different geological scenarios, it offers a greater ‘3D mapability’ of units within the stratigraphic boundary. Despite these superior attributes, no arguments for crustal scale seismic surveys have been proposed because there has not been a compelling argument of economic benefit to proceed with such work. For the seismic reflection method to be used at these scales (100’s to 1000’s of square km covered) the technical risks or the survey costs have to be reduced. In addition, as most IOCG deposits have large footprint due to its association with intrusions and large fault zones; we hypothesized that these deposits can be found by mainly looking for the seismic signatures of intrusions along prospective structures. In this study, we present two of such cases: - Olympic Dam and Vulcan iron-oxide copper-gold (IOCG) deposits all located in the Gawler craton, South Australia. Results from our 2D modelling experiments revealed that seismic reflection surveys using 20m geophones and 40m shot spacing as an exploration tool for locating IOCG deposit is possible even when hosted in very complex structures. The migrated sections were not only able to identify and trace various layers plus the complex structures but also show reflections around the edges of intrusive packages. The presences of such intrusions were clearly detected from 100m to 1000m depth range without losing its resolution. The modelled seismic images match the available real seismic data and have the hypothesized characteristics; thus, the seismic method seems to be a valid exploration tool to find IOCG deposits. We therefore propose that 2D seismic survey is viable for IOCG exploration as it can detect mineralised intrusive structures along known favourable corridors. This would help in reducing the exploration risk associated with locating undiscovered resources as well as conducting a life-of-mine study which will enable better development decisions at the very beginning.

Keywords: crustal scale, exploration, IOCG deposit, modelling, seismic surveys

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Authors: Ganiyu Samson Okunlola, Ladanu Abiodun Ajala, Olaide Oluwaseun Adegbayo

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Since the usefulness of articulated vehicles is becoming more apparent and the diesel consumption of these vehicles constitutes a major portion of operating costs, development of mathematical model for their diesel consumption is of a great importance. Therefore, the present work developed a quantitative relationship between diesel consumption and vehicle age, annual use and cost of maintenance of the different makes of articulated vehicles. The vehicles selected for the study were FIAT 682 T3, IVECO 19036 and M.A.N. Diesel 19.240. The operating parameters for 90 vehicles of different age groups were recorded. Multiple regression models for diesel consumption of articulated vehicles of different makes were developed. From the analysis of results, it can be concluded that as the age of the vehicles increases, the diesel consumption increases. Also, as the diesel consumption increases, the cost of maintenance increases and there is a subsequent decrease in annual use. Moreover, FIAT 682 T3 and IVECO 19036 should be replaced at 7 years of age while M.A.N diesel should be replaced at 8 years of age. These are the ages where the diesel consumption becomes abnormal and uneconomical and they are points of optimal overhaul.

Keywords: vehicle, overhaul, age, uneconomical, diesel, consumption

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Authors: G. R. Khaliullina, S. L. Blashkova, I. G. Mustafin

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The article presents the results of a study involving 97 patients with different types of orthodontic pathology. Immunological examination of patients included determination of the level of α-defensin and cytokine IL-1β in mixed saliva. The study showed that the level of α-defensin serves as a diagnostic marker for determining the therapeutic measures in the treatment of inflammatory processes in periodontal tissues. Α-defensins exhibit immunomodulating and antimicrobial activity during inflammatory processes and play an important role in the regulation of the pathology of periodontal disease. The obtained data allowed the development of an algorithm for diagnosis and the implementation of immunomodulating therapy in the treatment of periodontal diseases in orthodontic patients.

Keywords: α-difensin, cytokine, orthodontic treatment, periodontal disease, periodontal pathogens

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Authors: Ebuwa Osagie, Vasilije Manovic

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Exergy analysis provides the identification of the location, sources of thermodynamic inefficiencies, and magnitude in a thermal system. Thus, both the qualitative and quantitative assessment can be evaluated with exergy, unlike energy which is based on quantitative assessment only. The main purpose of exergy analysis is to identify where exergy is destroyed. Thus, reduction of the exergy destruction and losses associated with the capture plant systems can improve work potential. Furthermore, thermodynamic analysis of different configurations of the process helps to identify opportunities for reducing the steam requirements for each of the configurations. This paper presents steady-state simulation and exergy analysis of the 2-amino-2-methyl-1-propanol (AMP)-based post-combustion capture (PCC) plant. Exergy analysis performed for the AMP-based plant and the different configurations revealed that the rich split with intercooling configuration gave the highest exergy efficiency of 73.6%, while that of the intercooling and the reference AMP-based plant were 57.3% and 55.8% respectively.

Keywords: 2-amino-2-methyl-1-propanol, modelling, and simulation, post-combustion capture plant, exergy analysis, flowsheeting configurations

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Authors: Salman Iqbal

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Knowledge management (KM) literature has mainly focused on the antecedents of KM. The purpose of this study is to investigate the effect of specific human resource management (HRM) practices on employee knowledge sharing and its outcome as individual knowledge capability. Based on previous literature, a model is proposed for the study and hypotheses are formulated. The cross-sectional dataset comes from a sample of 19 knowledge intensive firms (KIFs). This study has run an item parceling technique followed by Confirmatory Factor Analysis (CFA) on the latent constructs of the research model. Employees’ collaboration and their interpersonal trust can help to improve their knowledge sharing behaviour and knowledge capability within organisations. This study suggests that in future, by using a larger sample, better statistical insight is possible. The findings of this study are beneficial for scholars, policy makers and practitioners. The empirical results of this study are entirely based on employees’ perceptions and make a significant research contribution, given there is a dearth of empirical research focusing on the subcontinent.

Keywords: employees’ collaboration, individual knowledge capability, knowledge sharing, monetary rewards, structural equation modelling

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Authors: Jyoti Singh, Ranju Bansal

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Fighting pain and inflammation is a common problem faced by physicians while dealing with a wide variety of diseases. Since ancient time nonsteroidal anti-inflammatory agents (NSAIDs) and opioids have been the cornerstone of treatment therapy, however, the usefulness of both these classes is limited due to severe side effects. NSAIDs, which are mainly used to treat mild to moderate inflammatory pain, induce gastric irritation and nephrotoxicity whereas opioids show an array of adverse reactions such as respiratory depression, sedation, and constipation. Moreover, repeated administration of these drugs induces tolerance to the analgesic effects and physical dependence. Further discovery of selective COX-2 inhibitors (coxibs) suggested safety without any ulcerogenic side effects; however, long-term use of these drugs resulted in kidney and hepatic toxicity along with an increased risk of secondary cardiovascular effects. The basic approaches towards inflammation and pain treatment are constantly changing, and researchers are continuously trying to develop safer and effective anti-inflammatory drug candidates for the treatment of different inflammatory conditions such as osteoarthritis, rheumatoid arthritis, ankylosing spondylitis, psoriasis and multiple sclerosis. Synthetic 3(2H)-pyridazinones constitute an important scaffold for drug discovery. Structure-activity relationship studies on pyridazinones have shown that attachment of a lactam at N-2 of the pyridazinone ring through a methylene spacer results in significantly increased anti-inflammatory and analgesic properties of the derivatives. Further introduction of the heterocyclic ring at lactam nitrogen results in improvement of biological activities. Keeping in mind these SAR studies, a new series of compounds were synthesized as shown in scheme 1 and investigated for anti-inflammatory, analgesic, anti-platelet activities and docking studies. The structures of newly synthesized compounds have been established by various spectroscopic techniques. All the synthesized pyridazinone derivatives exhibited potent anti-inflammatory and analgesic activity. Homoveratryl substituted derivative was found to possess highest anti-inflammatory and analgesic activity displaying 73.60 % inhibition of edema at 40 mg/kg with no ulcerogenic activity when compared to standard drugs indomethacin. Moreover, 2-substituted-4-benzo[d][1,3]dioxole-6-phenylpyridazin-3(2H)-ones derivatives did not produce significant changes in bleeding time and emerged as safe agents. Molecular docking studies also illustrated good binding interactions at the active site of the cyclooxygenase-2 (hCox-2) enzyme.

Keywords: anti-inflammatory, analgesic, pyridazin-3(2H)-one, selective COX-2 inhibitors

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Authors: F. Varga, Z. Liber, J. Jakše, A. Turudić, Z. Šatović, I. Radosavljević, N. Jeran, M. Grdiša

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Dalmatian pyrethrum (Tanacetum cinerariifolium (Trevir.) Sch. Bip.; Asteraceae), a source of the commercially dominant plant insecticide pyrethrin, is a species endemic to the eastern Adriatic. Genetic diversity of T. cinerariifolium was previously studied using amplified fragment length polymorphism (AFLP) markers. However, microsatellite markers (single sequence repeats - SSRs) are more informative because they are codominant, highly polymorphic, locus-specific, and more reproducible, and thus are most often used to assess the genetic diversity of plant species. Dalmatian pyrethrum is an outcrossing diploid (2n = 18) whose large genome size and high repeatability have prevented the success of the traditional approach to SSR markers development. The advent of next-generation sequencing combined with the specifically developed method recently enabled the development of, to the author's best knowledge, the first set of SSRs for genomic characterization of Dalmatian pyrethrum, which is essential from the perspective of plant genetic resources conservation. To evaluate the effectiveness of the developed SSR markers in genetic differentiation of Dalmatian pyrethrum populations, a preliminary genetic diversity study was conducted on 30 individuals from three geographically distinct natural populations in Croatia (northern Adriatic island of Mali Lošinj, southern Adriatic island of Čiovo, and Mount Biokovo) based on 12 SSR loci. Analysis of molecular variance (AMOVA) by randomization test with 10,000 permutations was performed in Arlequin 3.5. The average number of alleles per locus, observed and expected heterozygosity, probability of deviations from Hardy-Weinberg equilibrium, and inbreeding coefficient was calculated using GENEPOP 4.4. Genetic distance based on the proportion of common alleles (DPSA) was calculated using MICROSAT. Cluster analysis using the neighbor-joining method with 1,000 bootstraps was performed with PHYLIP to generate a dendrogram. The results of the AMOVA analysis showed that the total SSR diversity was 23% within and 77% between the three populations. A slight deviation from Hardy-Weinberg equilibrium was observed in the Mali Lošinj population. Allele richness ranged from 2.92 to 3.92, with the highest number of private alleles observed in the Mali Lošinj population (17). The average observed DPSA between 30 individuals was 0.557. The highest DPSA (0.875) was observed between several pairs of Dalmatian pyrethrum individuals from the Mali Lošinj and Mt. Biokovo populations, and the lowest between two individuals from the Čiovo population. Neighbor-joining trees, based on DPSA, grouped individuals into clusters according to their population affiliation. The separation of Mt. Biokovo clade was supported (bootstrap value 58%), which is consistent with the previous study on AFLP markers, where isolated populations from Mt. Biokovo differed from the rest of the populations. The developed SSR markers are an effective tool for assessing the genetic diversity and structure of natural Dalmatian pyrethrum populations. These preliminary results are encouraging for a future comprehensive study with a larger sample size across the species' range. Combined with the biochemical data, these highly informative markers could help identify potential genotypes of interest for future development of breeding lines and cultivars that are both resistant to environmental stress and high in pyrethrins. Acknowledgment: This work has been supported by the Croatian Science Foundation under the project ‘Genetic background of Dalmatian pyrethrum (Tanacetum cinerariifolium /Trevir./ Sch. Bip.) insecticidal potential’- (PyrDiv) (IP-06-2016-9034) and by project KK.01.1.1.01.0005, Biodiversity and Molecular Plant Breeding, at the Centre of Excellence for Biodiversity and Molecular Plant Breeding (CoE CroP-BioDiv), Zagreb, Croatia.

Keywords: Asteraceae, genetic diversity, genomic SSRs, NGS, pyrethrum, Tanacetum cinerariifolium

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Authors: Agata Tomaszewska, Timothy Kamps, Stephan R. Turnock, Nicola Symonds

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Bob skeleton is a highly competitive sport in which an athlete reaches speeds up to 40 m/s sliding, head first, down an ice track. It is believed that the friction between the runners and ice significantly contributes to the amount of the total energy loss during a bob skeleton descent. There is only limited available experimental data regarding the friction of bob skeleton runners or indeed steel on the ice at high sliding speeds ( > 20 m/s). Testing methods used to investigate the friction of steel on ice in winter sports have been outlined, and their accuracy and repeatability discussed. A system thinking approach was used to investigate the runner-ice interaction during sliding and create concept designs of three ice tribometers. The operational envelope of the bob skeleton system has been defined through mathematical modelling. Designs of a drum, linear and inertia pin-on-disk tribometers were developed specifically for bob skeleton runner testing with the requirement of reaching up to 40 m/s speed and facilitate fresh ice sliding. The design constraints have been outline and the proposed solutions compared based on the ease of operation, accuracy and the development cost.

Keywords: bob skeleton, ice friction, high-speed tribometers, sliding friction

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Authors: Rafael Oliveira Santos, Luciano Pessanha Moreira, Marcelo Costa Cardoso

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Spacer grid assembly supporting the nuclear fuel rods is an important concern in the design of structural components of a Pressurized Water Reactor (PWR). The spacer grid is composed by springs and dimples which are formed from a strip sheet by means of blanking and stamping processes. In this paper, the blanking process and tooling parameters are evaluated by means of a 2D plane-strain finite element model in order to evaluate the punch load and quality of the sheared edges of Inconel 718 strips used for nuclear spacer grids. A 3D finite element model is also proposed to predict the tooling loads resulting from the stamping process of a preformed Inconel 718 strip and to analyse the residual stress effects upon the spring and dimple design geometries of a nuclear spacer grid.

Keywords: blanking process, damage model, finite element modelling, inconel 718, spacer grids, stamping process

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Authors: A. Hossein Madadi-Najafabadi, Masoud Nasiri

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The discrete element method is a powerful technique for numerical modeling the flow of granular materials such as direct reduced iron. It would enable us to study processes and equipment related to the production and handling of the material. However, the characteristics and properties of the granules have to be adjusted precisely to achieve reliable results in a DEM simulation. The main properties for DEM simulation are size distribution, density, Young's modulus, Poisson's ratio and the contact coefficients of restitution, rolling friction and sliding friction. In the present paper, the mentioned properties are determined for DEM simulation of DRI pellets. A reliable DEM simulation would contribute to optimizing the handling system of DRIs in an iron-making plant. Among the mentioned properties, Young's modulus is the most important parameter, which is usually hard to get for particulate solids. Here, an especial method is utilized to precisely determine this parameter for DRI.

Keywords: discrete element method, direct reduced iron, simulation parameters, granular material

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Authors: Hayrettin Eroglu, Oguz Aksakal

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In this study, it is analysed that which decontamination products are more effective and how decontamination process should be performed in the case of contamination of radioactive 99mTc which is the most common radioactive element used in nuclear applications dealing with the human body or the environment. Based on the study, it is observed that existing radioactive washers are less effective than expected, alcohol has no effect on the decontamination of 99mTc, and temperature and pH are the most important factors. In the light of the analysis, it is concluded that the most effective decontamination product is DM-D (Decontamination Material-D). When the effect of DM-D on surfaces is analysed, it is observed that decontamination is very fast on scrubs and formica with both DM-D and water, and although DM-D is very effective on skin, it is not effective on f ceramic tiles and plastic floor covering material. Also in this study, the effectiveness of different molecular groups in the decontaminant was investigated. As a result, the acetate group has been observed as the most effective component of the decontaminant.

Keywords: contamination, radioactive, technetium, decontamination

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Authors: Harche Rima, Laoufi Nadia Aicha

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This work focuses on the study and modeling of the fouling phenomenon in a vertical pipe. In the first step, milk is one of the fluids obeying the phenomenon of fouling because of the denaturation of these proteins, especially lactoglobulin, which is the active element of milk, and to facilitate its use, we chose to study milk as a fouling fluid. In another step, we consider the test section of our installation as a tubular-type heat exchanger that works against the current and in a closed circuit. A simple mathematical model of Kern & Seaton, based on the kinetics of the fouling resistance, was used to evaluate the influence of the operating parameters (fluid flow velocity and exchange wall temperature) on the fouling resistance. The influence of the variation of the fouling resistance with the operating conditions on the efficiency of the heat exchanger and the importance of the dirty state exchange coefficient as an exchange quality control parameter were discussed and examined. On the other hand, an electronic scanning microscope analysis was performed on the milk deposit in order to obtain its actual image and composition, which allowed us to calculate the thickness of this deposit.

Keywords: fouling, milk, tubular heat exchanger, fouling resistance

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Authors: Amar Aliche, Hocine Hammoum, Karima Bouzelha, Arezki Ben Abderrahmane

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Traditionally, the dimensioning of storage tanks is conducted with a deterministic approach based on partial coefficients of safety. These coefficients are applied to take into account the uncertainties related to hazards on properties of materials used and applied loads. However, the use of these safety factors in the design process does not assure an optimal and reliable solution and can sometimes lead to a lack of robustness of the structure. The reliability theory based on a probabilistic formulation of constructions safety can respond in an adapted manner. It allows constructing a modelling in which uncertain data are represented by random variables, and therefore allows a better appreciation of safety margins with confidence indicators. The work presented in this paper consists of a mecano-reliability analysis of a concrete storage tank placed on ground. The classical method of Monte Carlo simulation is used to evaluate the failure probability of concrete tank by considering the seismic acceleration as random variable.

Keywords: reliability approach, storage tanks, monte carlo simulation, seismic acceleration

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Authors: Mohamed El Hattab

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The Supercritical carbon dioxide (SFE) and the focused microwave-assisted hydrodistillation (FMAHD) were employed to isolate the volatile fraction of the brown alga Dictyopteris membranacea from the crude extract. The volatiles fractions obtained were analyzed by GC/MS. The major compounds in this case: dictyopterene A, 6-butylcyclohepta-1,4-diene, Undec-1-en-3-one, Undeca-1,4-dien-3-one, (3-oxoundec-4-enyl) sulphur, tetradecanoic acid, hexadecanoic acid, 3-hexyl-4,5-dithia-cycloheptanone and albicanol (this later is present only in the FMAHD oil) are identified by comparing their mass spectra with those reported on the commercial MS data base and also on our previously work. A kinetic study realized on both extraction processes and followed by an external standard quantification has allowed the study of the mass percent evolution of the major compounds in the two oils, an empirical mathematical modelling was used to describe their kinetic extraction.

Keywords: dictyopteris membranacea, extraction techniques, mathematical modeling, volatile oils

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Authors: Asim Cengiz, Dede Basturk, Hakan Ozalp

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Practicing recurring resistance workout such as may cause changes in human muscle. These changes may be because combination if several factors determining physical fitness. Thus, it is important to identify these changes. Several studies were reviewed to investigate these changes. As a result, the changes included positive modifications in amplified citrate synthase (CS) maximal activity, increased capacity for pyruvate oxidation, improvement on molecular signaling on human performance, amplified resting muscle glycogen and whole GLUT4 protein content, better health outcomes such as enhancement in cardiorespiratory fitness. Sprint training also have numerous long long-term changes inhuman body such as better enzyme action, changes in muscle fiber and oxidative ability. This is important because SV is the critical factor influencing maximal cardiac output and therefore oxygen delivery and maximal aerobic power.

Keywords: sprint, training, performance, exercise

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Authors: Pasquale Porcu, Mireille Vonlanthen, Gerardo Zaragoza-Galán, Ernesto Rivera

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In this work, we report the synthesis of a novel series of dendritic molecules bearing donor-acceptor groups (pyrene-bodipy) with potential applications in energy transfer. Initially, first and second generation Fréchet type dendrons (Py2-G1OH and Py4-G2OH) were prepared from 1-pyrenylbutanol and 3,5-dihydroxybenzylic alcohol. These compounds were further linked to a bodipy unit via an esterification reaction in order to obtain the desired products (Bodipy-G1Py2) and Bodipy-G2Py4). These compounds were fully characterized by FTIR and 1H and 13C NMR spectroscopy and their molecular weights were determined by MALDITOF. The optical and photophysical properties of these molecules were evaluated by absorbance and fluorescence spectroscopy, in order to compare their behaviour with other analogue molecules.

Keywords: bodipy, dendritic molecules, optical properties, pyrene

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Authors: Hamidreza Babaali, Alireza Mojtahedi, Nasim Soori, Saba Soori

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Hydraulic jump is one of the effective ways of energy dissipation in stilling basins that the ‎energy is highly dissipated by jumping. Adverse slope surface at the end stilling basin is ‎caused to increase energy dissipation and stability of the hydraulic jump. In this study, the adverse slope ‎has been added to end of United States Bureau of Reclamation (USBR) II stilling basin in hydraulic model of Nazloochay dam with scale 1:40, and flow simulated into stilling basin using Flow-3D ‎software. The numerical model is verified by experimental data of water depth in ‎stilling basin. Then, the parameters of water level profile, Froude Number, pressure, air ‎entrainment and turbulent dissipation investigated for discharging 300 m³/s using K-Ɛ and Re-Normalization Group (RNG) turbulence ‎models. The results showed a good agreement between numerical and experimental model‎ as ‎numerical model can be used to optimize of stilling basins.‎

Keywords: experimental and numerical modelling, end adverse slope, flow ‎parameters, USBR II stilling basin

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Authors: Zita Šereš, Dragana Šoronja Simović, Ljubica Dokić, Lidietta Giorno, Biljana Pajin, Cecilia Hodur, Nikola Maravić

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Membrane technology is convenient for separation of suspended solids, colloids and high molecular weight materials that are present. The idea is that the waste stream from edible oil industry, after the separation of oil by using skimmers is subjected to microfiltration and the obtained permeate can be used again in the production process. The wastewater from edible oil industry was used for the microfiltration. For the microfiltration of this effluent a tubular membrane was used with a pore size of 200 nm at transmembrane pressure in range up to 3 bar and in range of flow rate up to 300 L/h. Box–Behnken design was selected for the experimental work and the responses considered were permeate flux and chemical oxygen demand (COD) reduction. The reduction of the permeate COD was in the range 40-60% according to the feed. The highest permeate flux achieved during the process of microfiltration was 160 L/m²h.

Keywords: ceramic membrane, edible oil, microfiltration, wastewater

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Authors: A. Djahbar, M. Aillerie, E. Bounadja

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In this paper we treat a new structure of a high-power actuator which is used to either industry or electric traction. Indeed, the actuator is constituted by two induction motors, the first is a six-phase motor connected in series with another three-phase motor via the stators. The whole is supplied by a single static converter. Our contribution in this paper is the optimization of the system supply source. This is feeding the multimotor group by a direct converter frequency without using the DC-link capacitor. The modelling of the components of multimotor system is presented first. Only the first component of stator currents is used to produce the torque/flux of the first machine in the group. The second component of stator currents is considered as additional degrees of freedom and which can be used for power conversion for the other connected motors. The decoupling of each motor from the group is obtained using the direct vector control scheme. Simulation results demonstrate the effectiveness of the proposed structure.

Keywords: induction machine, motor drives, scalar modulation technique, three-to-six phase matrix converter

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Authors: Sadeem Aljamaan, Reem Hariri, Rahaf Alghamdi, Batool Alotaibi, Batool Alsenan, Lama Althunayyan, Areej Alnemer

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The aim of this study is to correlate between radiological findings and histopathological results in regard to the breast imaging-reporting and data system scores, size of breast masses, molecular subtypes and suspicious radiological features, as well as to assess the concordance rate in histological grade between core biopsy and surgical excision among breast cancer patients, followed by analyzing the change of concordance rate in relation to neoadjuvant chemotherapy in a Saudi population. A retrospective review was conducted over 6-year period (2017-2022) on all breast core biopsies of women preceded by radiological investigation. Chi-squared test (χ2) was performed on qualitative data, the Mann-Whitney test for quantitative non-parametric variables, and the Kappa test for grade agreement. A total of 641 cases were included. Ultrasound, mammography, and magnetic resonance imaging demonstrated diagnostic accuracies of 85%, 77.9% and 86.9%; respectively. magnetic resonance imaging manifested the highest sensitivity (72.2%), and the lowest was for ultrasound (61%). Concordance in tumor size with final excisions was best in magnetic resonance imaging, while mammography demonstrated a higher tendency of overestimation (41.9%), and ultrasound showed the highest underestimation (67.7%). The association between basal-like molecular subtypes and the breast imaging-reporting and data system score 5 classifications was statistically significant only for magnetic resonance imaging (p=0.04). Luminal subtypes demonstrated a significantly higher percentage of speculation in mammography. Breast imaging-reporting and data system score 4 manifested a substantial number of benign pathologies in all the 3 modalities. A fair concordance rate (k= 0.212 & 0.379) was demonstrated between excision and the preceding core biopsy grading with and without neoadjuvant therapy, respectively. The results demonstrated a down-grading in cases post-neoadjuvant therapy. In cases who did not receive neoadjuvant therapy, underestimation of tumor grade in biopsy was evident. In summary, magnetic resonance imaging had the highest sensitivity, specificity, positive predictive value and accuracy of both diagnosis and estimation of tumor size. Mammography demonstrated better sensitivity than ultrasound and had the highest negative predictive value, but ultrasound had better specificity, positive predictive value and accuracy. Therefore, the combination of different modalities is advantageous. The concordance rate of core biopsy grading with excision was not impacted by neoadjuvant therapy.

Keywords: breast cancer, mammography, MRI, neoadjuvant, pathology, US

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Authors: Emily J. Morey, Kevin Galvin, Thomas Riley, R. Eddie Wilson

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The key challenges faced by integrating autonomous rail operations into the existing mainline railway environment have been identified through the understanding and framing of the problem space and stakeholder analysis. This was achieved through the completion of the first four steps of Soft Systems Methodology, where the problem space has been expressed via conceptual models. Having identified these challenges, we investigated one of them, namely capacity, via the use of models and simulation. This paper examines the approach used to move from the conceptual models to a simulation which can determine whether the integration of autonomous trains can plausibly increase capacity. Within this approach, we developed an architecture and converted logical models into physical resource models and associated design features which were used to build a simulator. From this simulator, we are able to analyse mixtures of legacy-autonomous operations and produce fundamental diagrams and trajectory plots to describe the dynamic behaviour of mixed mainline railway operations.

Keywords: autonomy, executable architecture, modelling and simulation, railway capacity

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Authors: Gilbert O. Osayemwenre, Meyer L. Edson

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Ethylene vinyl acetate (EVA) encapsulation degradation affects the performance of photovoltaic (PV) module. Hotspot formation causes the EVA encapsulation to undergo photothermal deterioration and molecular breakdown by UV radiation. This leads to diffusion of chemical particles into other layers. During outdoor deployment, the EVA encapsulation in the affect region loses its adhesive strength, when this happen the affected region layer undergoes rapid delamination. The presence of photo-thermal degradation is detrimental to PV modules as it causes both optical and thermal degradation. Also, it enables the encapsulant to be more susceptible to chemicals substance and moisture. Our findings show a high concentration of Sodium, Phosphorus and Aluminium which originate from the glass substrate, cell emitter and back contact respectively.

Keywords: ethylene vinyl acetate (EVA), encapsulation, photo-thermal degradation, thermogravimetric analysis (TGA), scanning probe microscope (SPM)

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Authors: Sultan Daud, John P. Forth, Nikolaos Nikitas

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The current study aims to highlight the loading characteristics impact on the time evolution (focusing particularly on long term effects) of the deformation of realized reinforced concrete beams. Namely the tension stiffening code provisions (i.e. within Eurocode 2) are reviewed with a clear intention to reassess their operational value and predicting capacity. In what follows the experimental programme adopted along with some preliminary findings and numerical modelling attempts are presented. For a range of long slender reinforced concrete simply supported beams (4200 mm) constant static sustained and repeated cyclic loadings were applied mapping the time evolution of deformation. All experiments were carried out at the Heavy Structures Lab of the University of Leeds. During tests the mid-span deflection, creep coefficient and shrinkage strains were monitored for duration of 90 days. The obtained results are set against the values predicted by Eurocode 2 and the tools within an FE commercial package (i.e. Midas FEA) to yield that existing knowledge and practise is at times over-conservative.

Keywords: Eurocode2, midas fea, repeated, sustained loading.

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Authors: S. Dey, T. Mukhopadhyay, S. Adhikari

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This paper presents an exhaustive comparative investigation on sampling techniques of polynomial regression model based stochastic natural frequency of composite plates. Both individual and combined variations of input parameters are considered to map the computational time and accuracy of each modelling techniques. The finite element formulation of composites is capable to deal with both correlated and uncorrelated random input variables such as fibre parameters and material properties. The results obtained by Polynomial regression (PR) using different sampling techniques are compared. Depending on the suitability of sampling techniques such as 2k Factorial designs, Central composite design, A-Optimal design, I-Optimal, D-Optimal, Taguchi’s orthogonal array design, Box-Behnken design, Latin hypercube sampling, sobol sequence are illustrated. Statistical analysis of the first three natural frequencies is presented to compare the results and its performance.

Keywords: composite plate, natural frequency, polynomial regression model, sampling technique, uncertainty quantification

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Authors: Sonali Mohite

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Severe changes to Organizational Sustainability (OS) have been brought about by the COVID-19 pandemic. This situation forces organizations to tackle the competencies required to augment Employee Resilience (ER) and make profitable growth. This study explores how employee resilience contributes to both individual and organizational success in the wake of the COVID-19 pandemic. We suggest that employees who possess strong coping mechanisms and adaptability are better equipped to handle ongoing disruptions, resulting in improved individual performance metrics like productivity, engagement, and innovative thinking. Hence, exploring the efficiency of ER in improving EP and OS in post-pandemic (PP) is the aim of this research. By utilizing convenience sampling techniques, a total of 422 employees have been collected from numerous organizations. After that, the study’s hypothesis is analysed by using Structural Equation Modelling (SEM). As per the study’s findings, the ER factors of “Job Satisfaction (JS)”, “Self-Efficacy (SE)”, “Supervisors’ Support (SS)”, and “Facilitating Conditions (FC)” have positive and significant associations with organizational efficiency. Furthermore, the study’s findings also exhibited that there is the most important relation between SE and EOP.

Keywords: employee resilience, employee performance, organizational performance, sustainability, post-pandemic

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Authors: Angana Bhattacharya, Rakesh Sarkar, Gagan Kumar

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Toroidal resonances, a new class of electromagnetic excitations, demonstrate exceptional properties as compared to electric and magnetic dipolar resonances. The advantage of narrow linewidth in toroidal resonance is utilized in this proposed work, where a bilayer metamaterial (MM) sensor has been designed in the terahertz frequency regime (THz). A toroidal MM geometry in a single layer is first studied. A second identical MM geometry placed on top of the first layer results in the coupling of toroidal excitations, leading to an increase in the quality factor (Q) of the resonance. The sensing capability of the resonance is studied. Further, the dynamic switching from an 'off' stage to an 'on' stage in the bilayer configuration is explored. The ardent study of such toroidal bilayer MMs could provide significant potential in the development of bio-molecular and chemical sensors, switches, and modulators.

Keywords: toroidal resonance, bilayer, metamaterial, terahertz, sensing, switching

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Authors: Alessandra Pardu, Elena Curti, Marco Caredda, Alessio Dedola, Margherita Addis, Massimo Pes, Antonio Pirisi, Tonina Roggio, Sergio Uzzau, Roberto Anedda

Abstract:

Some of the artisanal cheeses products of European Countries certificated as PDO (Protected Designation of Origin) are made from raw milk. To recognise potential frauds (e.g. pasteurisation or thermisation of milk aimed at raw milk cheese production), the alkaline phosphatase (ALP) assay is currently applied only for pasteurisation, although it is known to have notable limitations for the validation of ALP enzymatic state in nonbovine milk. It is known that frauds considerably impact on customers and certificating institutions, sometimes resulting in a damage of the product image and potential economic losses for cheesemaking producers. Robust, validated, and univocal analytical methods are therefore needed to allow Food Control and Security Organisms, to recognise a potential fraud. In an attempt to develop a new reliable method to overcome this issue, Time-Domain Nuclear Magnetic Resonance (TD-NMR) spectroscopy has been applied in the described work. Daily fresh milk was analysed raw (680.00 µL in each 10-mm NMR glass tube) at least in triplicate. Thermally treated samples were also produced, by putting each NMR tube of fresh raw milk in water pre-heated at temperatures from 68°C up to 72°C and for up to 3 min, with continuous agitation, and quench-cooled to 25°C in a water and ice solution. Raw and thermally treated samples were analysed in terms of 1H T2 transverse relaxation times with a CPMG sequence (Recycle Delay: 6 s, interpulse spacing: 0.05 ms, 8000 data points) and quasi-continuous distributions of T2 relaxation times were obtained by CONTIN analysis. In line with previous data collected by high field NMR techniques, a decrease in the spin-spin relaxation constant T2 of the predominant 1H population was detected in heat-treated milk as compared to raw milk. The decrease of T2 parameter is consistent with changes in chemical exchange and diffusive phenomena, likely associated to changes in milk protein (i.e. whey proteins and casein) arrangement promoted by heat treatment. Furthermore, experimental data suggest that molecular alterations are strictly dependent on the specific heat treatment conditions (temperature/time). Such molecular variations in milk, which are likely transferred to cheese during cheesemaking, highlight the possibility to extend the TD-NMR technique directly on cheese to develop a method for assessing a fraud related to the use of a milk thermal treatment in PDO raw milk cheese. Results suggest that TDNMR assays might pave a new way to the detailed characterisation of heat treatments of milk.

Keywords: cheese fraud, milk, pasteurisation, TD-NMR

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Authors: Kun Zhou

Abstract:

Additive manufacturing has emerged as a disruptive technology that is capable of manufacturing products with complex geometries through an accumulation of material feedstock in a layer-by-layer fashion. Laser additive manufacturing such as selective laser sintering has excellent printing resolution, high printing speed and robust part strength, and has led to a widespread adoption in the aerospace, automotive and biomedical industries. This talk highlights and discusses the recent work we have undertaken in the development of carbon nanotube-reinforced polyamide 12 (CNT/PA12) composites printed using laser additive manufacturing. Numerical modelling studies have been conducted to simulate various processes within laser additive manufacturing of CNT/PA12 composites, and extensive experimental work has been carried out to investigate the mechanical and functional properties of the printed parts. The results from these studies grant a deeper understanding of the intricate mechanisms occurring within each process and enables an accurate optimization of process parameters for the CNT/PA12 and other polymer composites.

Keywords: CNT/PA12 composites, laser additive manufacturing, process parameter optimization, numerical modeling

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Authors: Ka C. Lam, Oluwafunmibi S. Idowu

Abstract:

Building girth is important in building economics and mostly used in quantities take-off of various cost items. Literature suggests that the use of conceptual quantities can improve the accuracy of cost models. Girth or perimeter of a building can be used to estimate conceptual quantities. Hence, the current paper aims to model the perimeter-area function of buildings shapes for use at the conceptual design stage. A detailed literature review on existing building shape indexes was carried out. An empirical approach was used to study the relationship between area and the shortest length of a four-sided orthogonal polygon. Finally, a mathematical approach was used to establish the observed relationships. The empirical results obtained were in agreement with the mathematical model developed. A new equation termed “conceptual perimeter equation” is proposed. The equation can be used to estimate building envelope quantities such as external wall area, external finishing area and scaffolding area before sketch or detailed drawings are prepared.

Keywords: building envelope, building shape index, conceptual quantities, cost modelling, girth

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Authors: Phumelele Kubheka, Pius Owolawi, Gbolahan Aiyetoro

Abstract:

Twitter is one of the most popular social media platforms where users can share their opinions on different subjects. As of 2010, The Twitter platform generates more than 12 Terabytes of data daily, ~ 4.3 petabytes in a single year. For this reason, Twitter is a great source for big mining data. Many industries such as Telecommunication companies can leverage the availability of Twitter data to better understand their markets and make an appropriate business decision. This study performs topic modeling on Twitter data using Latent Dirichlet Allocation (LDA). The obtained results are benchmarked with another topic modeling technique, Latent Semantic Indexing (LSI). The study aims to retrieve topics on a Twitter dataset containing user tweets on South African Telcos. Results from this study show that LSI is much faster than LDA. However, LDA yields better results with higher topic coherence by 8% for the best-performing model represented in Table 1. A higher topic coherence score indicates better performance of the model.

Keywords: big data, latent Dirichlet allocation, latent semantic indexing, telco, topic modeling, twitter

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