Search results for: DFT and QTAIM analyses

Authors: Nadia Ezzat Al-Kirbasee, Ahlam Hussein Hassan, Shatha Raheem Helal Alhimidi, Doaa Ezzat Al-Kirbasee, Muhsen Abood Muhsen Al-Ibadi

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Through DFT/QTAIM calculations, we have provided new insights into the nature of the M-M, M-H, M-O, and M-C bonds of the (Cp*Ru)n(Cp*Os)3−n(μ3-O)2(μ-H)(Cp* = η5-C5Me5, n= 3,2,1,0). The topological analysis of the electron density reveals important details of the chemical bonding interactions in the clusters. Calculations confirm the absence of bond critical points (BCP) and the corresponding bond paths (BP) between Ru-Ru, Ru-Os, and Os-Os. The position of bridging hydrides and Oxo atoms coordinated to Ru-Ru, Ru-Os, and Os-Os determines the distribution of the electron densities and which strongly affects the formation of the bonds between these transition metal atoms. On the other hand, the results confirm that the four clusters contain a 6c–12e and 4c–2e bonding interaction delocalized over M3(μ-H)(μ-O)2 and M3(μ-H), respectively, as revealed by the non-negligible delocalization indexes calculations. The small values for electron density ρ(b) above zero, together with the small values, again above zero, for laplacian ∇2ρ(b) and the small negative values for total energy density H(b) are shown by the Ru-H, Os-H, Ru-O, and Os-O bonds in the four clusters are typical of open shell interactions. Also, the topological data for the bonds between Ru and Os atoms with the C atoms of the pentamethylcyclopentadienyl (Cp*) ring ligands are basically similar and show properties very consistent with open shell interactions in the QTAIM classification.

Keywords: metal-metal and metal-ligand interactions, organometallic complexes, topological analysis, DFT and QTAIM analyses

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Authors: Dairo Jose Hernandez Paez

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The quantum theory of atoms in molecules (QTAIM) allows us to obtain topological information on electronic density in quantum mechanical systems. The QTAIM starts by considering the electron density as a continuous mathematical object. On the other hand, the discretization of electron density is also a mathematical object, which, from discrete mathematics, would allow a new approach to its topological study. From this point of view, it is necessary to develop a series of steps that provide the theoretical support that guarantees its application. Some of the steps that we consider most important are mentioned below: (1) obtain good representations of the electron density through computational calculations, (2) design a methodology for the discretization of electron density, and construct the simplicial complex. (3) Make an analysis of the discrete vector field associating the simplicial complex. (4) Finally, in this research, we propose to use the discrete Morse theory as a mathematical tool to carry out studies of electron density topology.

Keywords: discrete mathematics, Discrete Morse theory, electronic density, computational calculations

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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: Abdul Majid, Alia Jabeen, Nimra Zulifqar

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

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

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Authors: Seyed Sadegh Naseralavi, Mohsen Khatibinia

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In structural optimizations through meta-heuristic algorithms, analyses of structures are performed for many times. For this reason, performing the analyses in a time saving way is precious. The importance of the point is more accentuated in time-history analyses which take much time. To this aim, peak picking methods also known as spectrum analyses are generally utilized. However, such methods do not have the required accuracy either done by square root of sum of squares (SRSS) or complete quadratic combination (CQC) rules. The paper presents an efficient technique for evaluating the dynamic responses during the optimization process with high speed and accuracy. In the method, first by using a static equivalent of the earthquake, an initial design is obtained. Then, the displacements in the modal coordinates are achieved. The displacements are herein called basic modal displacements (MBD). For each new design of the structure, the responses can be derived by well scaling each of the MBD along the time and amplitude and superposing them together using the corresponding modal matrices. To illustrate the efficiency of the method, an optimization problems is studied. The results show that the proposed approach is a suitable replacement for the conventional time history and spectrum analyses in such problems.

Keywords: basic modal displacements, earthquake, optimization, spectrum

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Authors: S. Homrossukon, S. Sansureerungsigun

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This work aims to introduce an efficient and to standardize the measuring system analyses for automotive industrial. The study started by literature reviewing about the management and analyses measurement system. The approach of measuring system management, then, was constructed. Such approach was validated by collecting the current measuring system data using the equipments of interest including vernier caliper and micrometer. Their accuracy and precision of measurements were analyzed. Finally, the measuring system was improved and evaluated. The study showed that vernier did not meet its measuring characteristics based on the linearity whereas all equipment were lacking of the measuring precision characteristics. Consequently, the causes of measuring variation via the equipment of interest were declared. After the improvement, it was found that their measuring performance could be accepted as the standard required. Finally, the standardized approach for analyzing the measuring system of automotive was concluded.

Keywords: automotive part manufacturing measurement, measuring accuracy, measuring precision, measurement system analyses

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Authors: Mohamed M. El-Awad

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This paper describes an educational platform for design analyses of pump-pipe systems by using Microsoft Excel, its Solver add-in, and the associated VBA programming language. The paper demonstrates the capabilities of the Excel-based platform that suits the iterative nature of the design process better than the use of design charts and data tables. While VBA is used for the development of a user-defined function for determining the standard pipe diameter, Solver is used for optimising the pipe diameter of the pipeline and for determining the operating point of the selected pump.

Keywords: design analyses, pump-pipe systems, Excel, solver, VBA

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Authors: Radovan Čobanović, Milica Rankov Šicar

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New attitudes about nutrition impose new styles, and therefore a neNew attitudes about nutrition impose new styles, and therefore a new kind of food. The goal of our work was to define the shelf life of new extruded soya product with minimum 65% of protein based on the analyses. According to the plan it was defined that a certain quantity of the same batch of new product (soybean flakes) which had predicted shelf life of 2 years had to be stored for 24 months in storage and analyzed at the beginning and end of sustainability plan on instrumental analyses (heavy metals, pesticides and mycotoxins) and every month on sensory analyses (odor, taste, color, consistency), microbiological analyses (Salmonella spp., Escherichia coli, Enterobacteriaceae, sulfite-reducing clostridia, Listeria monocytogenes), chemical analyses (protein, ash, fat, crude cellulose, granulation) and at the beginning on GMO analyses. All analyses were tested according to: sensory analyses ISO 6658, Salmonella spp ISO 6579, Escherichia coli ISO 16649-2, Enterobacteriaceae ISO 21528-2, sulfite-reducing clostridia ISO 15213 and Listeria monocytogenes ISO 11290-2, chemical and instrumental analyses Serbian ordinance on the methods of physico-chemical analyses and GMO analyses JRC Compendium. The results obtained after the analyses which were done according to the plan during the 24 months indicate that are no changes of products concerning both sensory and chemical analyses. As far as microbiological results are concerned Salmonella spp was not detected and all other quantitative analyses showed values <10 cfu/g. The other parameters for food safety (heavy metals, pesticides and mycotoxins) were not present in analyzed samples and also all analyzed samples were negative concerning genetic testing. On the basis of monitoring the sample under defined storage conditions and analyses of quality control, GMO analyses and food safety of the sample during the shelf within two years, the results showed that all the parameters of the sample during defined period is in accordance with Serbian regulative so that indicate that predicted shelf life can be adopted.w kind of food. The goal of our work was to define the shelf life of new extruded soya product with minimum 65% of protein based on the analyses. According to the plan it was defined that a certain quantity of the same batch of new product (soybean flakes) which had predicted shelf life of 2 years had to be stored for 24 months in storage and analyzed at the beginning and end of sustainability plan on instrumental analyses (heavy metals, pesticides and mycotoxins) and every month on sensory analyses (odor, taste, color, consistency), microbiological analyses (Salmonella spp., Escherichia coli, Enterobacteriaceae, sulfite-reducin clostridia, Listeria monocytogenes), chemical analyses (protein, ash, fat, crude cellulose, granulation) and at the beginning on GMO analyses. All analyses were tested according: sensory analyses ISO 6658, Salmonella spp ISO 6579, Escherichia coli ISO 16649-2, Enterobacteriaceae ISO 21528-2, sulfite-reducing clostridia ISO 15213 and Listeria monocytogenes ISO 11290-2, chemical and instrumental analyses Serbian ordinance on the methods of physico-chemical analyses and GMO analyses JRC Compendium. The results obtained after the analyses which were done according to the plan during the 24 months indicate that are no changes of products concerning both sensory and chemical analyses. As far as microbiological results are concerned Salmonella spp was not detected and all other quantitative analyses showed values <10 cfu/g. The other parameters for food safety (heavy metals, pesticides and mycotoxins) were not present in analyzed samples and also all analyzed samples were negative concerning genetic testing. On the basis of monitoring the sample under defined storage conditions and analyses of quality control, GMO analyses and food safety of the sample during the shelf within two years, the results showed that all the parameters of the sample during defined period is in accordance with Serbian regulative so that indicate that predicted shelf life can be adopted.

Keywords: extruded soya product, food safety analyses, GMO analyses, shelf life

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Authors: Gökhan Yüksel, Serdar Akça, İlker Kalkan

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The present study is an attempt to demonstrate the significant levels of contribution of the moment-resisting beam-column connections with side plates to the earthquake behavior of special steel moment frames. To this end, the moment-curvature relationships of a regular beam-column connection and its SidePlate counterpart were determined with the help of finite element analyses. The connection stiffness and deformability values from these finite element analyses were used in the linear time-history analyses of an example structural steel frame under three different seismic excitations. The top-story lateral drift, base shear, and overturning moment values in two orthogonal directions were obtained from these time-history analyses and compared to each other. The results revealed the improvements in the system response with the use of SidePlate connections. The paper ends with crucial recommendations for the plan and design of further studies on this very topic.

Keywords: seismic detailing, special moment frame, steel structures, beam-column connection, earthquake-resistant design

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Authors: Mohammad Reza Ameri, Ali Massumi, Mohammad Haghbin

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Non-linear static analysis, commonly referred to as pushover analysis, is a powerful tool for assessing the seismic response of structures. A suitable lateral load pattern for pushover analysis can bring the results of this simple, quick and low-cost analysis close to the realistic results of nonlinear dynamic analyses. In this research, four samples of 10- and 15 story (two- and four-bay) reinforced concrete frames were studied. The lateral load distribution patterns recommended in FEMA 273/356 guidelines were applied to the sample models in order to perform pushover analyses. The results were then compared to the results obtained from several nonlinear incremental dynamic analyses for a range of earthquakes. Finally, a lateral load distribution pattern was proposed for pushover analysis of medium-rise reinforced concrete buildings based on the results of nonlinear static and dynamic analyses.

Keywords: lateral load pattern, nonlinear static analysis, incremental dynamic analysis, medium-rise reinforced concrete frames, performance based design

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Authors: A. Afroogh, R. Ramazani Omali, N. Hafezi Moghaddas, A. Nohegar

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Burkh anticline is located in Southeast of Zagros fold-thrust belt in the Fars Province. Geometric analyses of the anticline have been carried out to estimate the closure of the Dehram Group in order to evaluate its potential for gas reservoirs. Geometric analyses of the Burkh anticline indicate that the fold geometry is rather similar to that of the detachment folds. Based on the data from the geometric analysis, seven structural cross section the anticlines are drawn and using the cross sections, a structural contour for Dehram Group is constructed. The calculated values for the anticline closure prohibits this structure as it is not an appropriate host to gas reservoirs.

Keywords: Burkh anticline, Zagros fold-thrust belt, geometric analyses, vertical and horizontal closure, Dehram group

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Authors: Volkan Isbuga, Joman M. Mahmood, Ali Firat Cabalar

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This study presents the site response analysis of mica-sand mixtures available in certain parts of the world including Izmir, a highly populated city and located in a seismically active region in western part of Turkey. We performed site response analyses by employing SHAKE, an equivalent linear approach, for the micaceous soil deposits consisting of layers with different amount of mica contents and thicknesses. Dynamic behavior of micaceous sands such as shear modulus reduction and damping ratio curves are input for the ground response analyses. Micaceous sands exhibit a unique dynamic response under a scenario earthquake with a magnitude of Mw=6. Results showed that higher amount of mica caused higher spectral accelerations.

Keywords: micaceous sands, site response, equivalent linear approach, SHAKE

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Authors: Muhammad Arif Mahmood, Andrei C. Popescu, Mihai Oane, Diana Chioibascu, Carmen Ristoscu, Ion N. Mihailescu

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Powder flow and temperature distributions are recognized as influencing factors during laser melting deposition (LMD) process, that not only affect the consolidation rate but also characteristics of the deposited layers. Herewith, two simplified analytical models will be presented to simulate the powder flow with the inclusion of powder particles size distribution in Gaussian form, under three powder jet nozzles, and temperature analyses during LMD process. The output of the 1st model will serve as the input in the 2nd model. The models will be validated with experimental data, i.e., weight measurement method for powder particles distribution and infrared imaging for temperature analyses. This study will increase the cost-efficiency of the LMD process by adjustment of the operating parameters for reaching optimal powder debit and energy. This research has received funds under the Marie Sklodowska-Curie grant agreement No. 764935, from the European Union’s Horizon 2020 research and innovation program.

Keywords: laser additive manufacturing, powder particles size distribution in Gaussian form, powder stream distribution, temperature analyses

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Authors: C. F. Kumru, C. Kocatepe, O. Arikan

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In this study, electric field distribution analyses for three pylon models are carried out by a Finite Element Method (FEM) based software. Analyses are performed in both stationary and time domains to observe instantaneous values along with the effective ones. Considering the results of the study, different line geometries is considerably affecting the magnitude and distribution of electric field although the line voltages are the same. Furthermore, it is observed that maximum values of instantaneous electric field obtained in time domain analysis are quite higher than the effective ones in stationary mode. In consequence, electric field distribution analyses should be individually made for each different line model and the limit exposure values or distances to residential buildings should be defined according to the results obtained.

Keywords: electric field, energy transmission line, finite element method, pylon

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Authors: Ayşegül Bilge, Merve Uğuryol, Şeyda Dülgerler, Mustafa Yıldız

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The purpose of this research is to prove the Attitude towards Using Complementary Treatments Scale reliability and validity. The research is a methodological type of research that has been planned to determine the validity and reliability of the Attitude towards Using Complementary Treatments Scale. The scale has been developed by the researchers. In the scale, there are 23 questions including complementary and modern therapies individuals apply when they have health problems 4-item Likert-type evaluation has been carried out in preparing the questionnaire. High score obtained from the scale indicates a positive attitude towards complementary therapies. In the course of validity assessment of the scale, expert opinion has been received, and the content validity of the scale has been determined by using Kendall coefficient correlation test (Wa=0.200, p = 0.460). In the course of the reliability assessment of the scale, total score correlations of 23 materials have been examined, and those under 0.20 correlation limit has been removed from the scale correlation. As a result, the scale was left to be 13 items. In the internal consistency tests of the analyses, Cronbach's alpha value has been found to be 0.79. As a result, of the validity analyses of the Attitude towards Using Complementary Treatments Scale, the content and language validity analyses has been found to be at the expected level. It has been determined to be a highly reliable scale as the result of the reliability analyses. In conclusion, Attitude towards Using Complementary Treatments Scale is a valid and reliable scale.

Keywords: alternative health care, complementary treatment, instrument development, nursing practice

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Authors: Ayoola T. Brimmo, Mohamed I. Hassan

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The push to mitigate the aluminum smelting industry’s enormous energy consumption and high emission releases is now even more persistent with the recent climate change happenings. Common approaches to achieve this have been focused on improving energy efficiency in the pot line and cast house sections of the smelter. However, the conventional energy efficiency analyses are based on the first law of thermodynamics, which do not shed proper light on the smelter’s degradation of energy. This just gives a general idea of the furnace’s performance with no reference to locations where improvement is a possibility based on the second law of thermodynamics. In this study, we apply exergy analyses on the pot line and cast house sections of the smelter to identify the locality and causes of energy degradation. The exergy analyses, which are based on a real life smelter conditions, highlight the possible locations for technology improvement in a typical smelter. With this established, methods of minimizing the smelter’s exergy losses are assessed.

Keywords: exergy analysis, electrolytic cell, furnace, heat transfer

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Authors: Somayyeh Karimiyan

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To evaluate the seismic vulnerability of vital offshore structures with the highest possible precision, Nonlinear Time History Analyses (NLTHA), is the most reliable method. However, since it is very time-consuming, a quick procedure is greatly desired. This paper presents a quick method by combining the Push Over Analysis (POA) and the NLTHA. The POA is preformed first to recognize the more critical members, and then the NLTHA is performed to evaluate more precisely the critical members’ vulnerability. The proposed method has been applied to jacket type structure. Results show that combining POA and NLTHA is a reliable seismic evaluation method, and also that none of the earthquake characteristics alone, can be a dominant factor in vulnerability evaluation.

Keywords: jacket structure, seismic evaluation, push-over and nonlinear time history analyses, critical members

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Authors: Masoud Sheidaei, Melica Tabasi, Fahimeh Koohdar, Mona Sheidaei

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Juglans regia L. is an economically important species of edible nuts. Iran is known as a center of origin of genetically rich walnut germplasm and expected to be found a large diversity within Iranian walnut populations. A detailed population genetic of local populations is useful for developing an optimal strategy for in situ conservation and can assist the breeders in crop improvement programs. Different phylogenetic studies have been carried out in this genus, but none has been concerned with genetic changes associated with geographical divergence and the identification of adaptive SNPs. Therefore, we carried out the present study to identify discriminating ITS nucleotides among Juglans species and also reveal association between ITS SNPs and geographical variables. We used different computations approaches like DAPC, CCA, and RDA analyses for the above-mentioned tasks. We also performed population genetics analyses for population effective size changes associated with the species expansion. The results obtained suggest that latitudinal distribution has a more profound effect on the species genetic changes. Similarly, multiple analytical approaches utilized for the identification of both discriminating DNA nucleotides/ SNPs almost produced congruent results. The SNPs with different phylogenetic importance were also identified by using a parsimony approach.

Keywords: Persian walnut, adaptive SNPs, data analyses, genetic diversity

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Authors: Niharika Keot, Manabendra Sarma

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A thorough investigation of Ln3+ complexes with more than one inner-sphere water molecule is crucial for designing high relaxivity contrast agents (CAs) used in magnetic resonance imaging (MRI). This study accomplished a comparative stability analysis of two hexadentate (H3cbda and H3dpaa) and two heptadentate (H4peada and H3tpaa) ligands with Ln3+ ions. The higher stability of the hexadentate H3cbda and heptadentate H4peada ligands has been confirmed by the binding affinity and Gibbs free energy analysis in aqueous solution. In addition, energy decomposition analysis (EDA) reveals the higher binding affinity of the peada4− ligand than the cbda3− ligand towards Ln3+ ions due to the higher charge density of the peada4− ligand. Moreover, a mechanistic overview of water exchange kinetics has been carried out based on the strength of the metal–water bond. The strength of the metal–water bond follows the trend Gd–O47 (w) > Gd–O39 (w) > Gd–O36 (w) in the case of the tris-aquated [Gd(cbda)(H2O)3] and Gd–O43 (w) > Gd–O40 (w) for the bis-aquated [Gd(peada)(H2O)2]− complex, which was confirmed by bond length, electron density (ρ), and electron localization function (ELF) at the corresponding bond critical points. Our analysis also predicts that the activation energy barrier decreases with the decrease in bond strength; hence kex increases. The 17O and 1H hyperfine coupling constant values of all the coordinated water molecules were different, calculated by using the second-order Douglas–Kroll–Hess (DKH2) approach. Furthermore, the ionic nature of the bonding in the metal–ligand (M–L) bond was confirmed by the Quantum Theory of Atoms-In-Molecules (QTAIM) and ELF along with energy decomposition analysis (EDA). We hope that the results can be used as a basis for the design of highly efficient Gd(III)-based high relaxivity MRI contrast agents for medical applications.

Keywords: MRI contrast agents, lanthanide chemistry, thermodynamic stability, water exchange kinetics

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Authors: Abbas Hadj Abbas, Hacini Massaoud, Aiad Lahcen

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In Hassi-Messoud’s oil industry, the systems which are water based (WBM) are generally used for drilling in the first phase. For the rest of the well, the oil mud systems are employed (OBM). In the field of oil exploration, panoply of chemical products is employed in the drilling fluids formulation. These components of different natures and whose toxicity and biodegradability are of ill-defined parameters are; however, thrown into nature. In addition to the hydrocarbon (HC, such as diesel) which is a major constituent of oil based mud, we also can notice spills as well as a variety of other products and additives on the drilling sites. These wastes are usually stored in places called (crud wastes). These may cause major problems to the ecosystem. To treat these wastes, we have considered two methods which are: solidification/ stabilization (chemical) and thermal. So that we can evaluate the techniques of treatment, a series of analyses are performed on dozens of specimens of wastes before treatment. After that, and on the basis of our analyses of wastes, we opted for diagnostic treatments of pollution before and after solidification and stabilization. Finally, we have done some analyses before and after the thermal treatment to check the efficiency of the methods followed in the study.

Keywords: wastes treatment, the oil pollution, the norms, wastes drilling

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Authors: Isabella Lobo Sasaoka, Felipe Q. da Luz, Zubeyir Salis, Phillipa Hay, Tamiris Gaeta, Paula Costa Teixeira, Táki Cordás, Amanda Sainsbury

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Background: A significant number of people with obesity that seek weight loss treatments experience binge eating episodes. Nonetheless, it is unknown whether binge eating episodes can hinder weight loss outcomes. Objective: To compare weight change in people with or without binge eating submitted to bariatric surgery, pharmacotherapy, nutritional orientation, and/or psychological therapies. Method: We conducted a systematic review with meta-analyses by searching studies in PubMed, American Psychological Association (APA), and Embase. Results: Thirty-four studies were included in our systematic review, and 17 studies were included in the meta-analyses. Overall, we found no significant difference in weight loss between people with or without binge eating submitted to any type of weight loss treatment. Additionally, we found no statistically significant differences in body weight between people with or without binge eating at short and long follow-up assessments following any type of weight loss treatment. We also examined changes in body weight in people with or without binge eating in three additional meta-analyses categorized by the type of weight loss treatment (i.e., behavioural and/or nutritional interventions; bariatric surgery; pharmacotherapy isolated or combined with behavior interventions) and found no difference in weight loss. Eleven out of the 17 studies that were assessed qualitatively (i.e., not included in meta-analyses) did not show differences in weight loss in people with or without binge eating submitted to any type of weight loss treatment. Conclusion: This systematic review with meta-analyses showed no difference in weight loss in people with or without binge eating submitted to a variety of weight loss treatments. Nonetheless, specialized therapies can be required to address eating disorder psychopathology and recurrent binge eating in people with obesity that seek weight loss.

Keywords: obesity, binge eating, weight loss, systematic review, meta-analysis

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Authors: Won Taek Oh, Adin Richard

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Workers are often required to enter unsupported trenches during the construction process, which may present serious risks. Trench failures can result in death or damage to adjacent properties, therefore trenches should be excavated with extreme precaution. Excavation work is often done in unsaturated soils, where the critical height (i.e. maximum depth that can be excavated without failure) of unsupported trenches can be more reliably estimated by considering the influence of matric suction. In this study, coupled stress/pore-water pressure analyses are conducted to investigate the critical height of sloped unsupported trenches considering the influence of pore-water pressure redistribution caused by excavating. Four different wall slopes (1.5V:1H, 2V:1H, 3V:1H, and 90°) and a vertical trench with the top 0.3 m sloped 1:1 were considered in the analyses with multiple depths of the ground water table in a sand. For comparison, the critical heights were also estimated using the limit equilibrium method for the same excavation scenarios used in the coupled analyses.

Keywords: critical height, matric suction, unsaturated soil, unsupported trench

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Authors: Osama Shakeel

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The objective of the paper is to study the clinic-pathological factors, survival analyses, recurrence rate, metastatic rate, risk factors and the management of cutaneous malignant melanoma at Shaukat Khanum Memorial Cancer Hospital and Research Center. Methodology: From 2014 to 2017, all patients with a diagnosis of cutaneous malignant melanoma (CMM) were included in the study. Demographic variables were collected. Short and long term oncological outcomes were recorded. All data were entered and analyzed in SPSS version 21. Results: A total of 28 patients were included in the study. Median age was 46.5 +/-15.9 years. There were 16 male and 12 female patients. The family history of melanoma was present in 7.1% (n=2) of the patients. All patients had a mean survival of 13.43+/- 9.09 months. Lower limb was the commonest site among all which constitutes 46.4%(n=13). On histopathological analyses, ulceration was seen in 53.6% (n=15) patients. Unclassified tumor type was present in 75%(n=21) of the patients followed by nodular 21.4% (n=6) and superficial spreading 3.5%(n=1). Clark level IV was the commonest presentation constituting 46.4%(n=13). Metastases were seen in 50%(n=14) of the patients. Local recurrence was observed in 60.7%(n=17). 64.3%(n=18) lived after one year of treatment. Conclusion: CMM is a fatal disease. Although its disease of fair skin individuals, however, the incidence of CMM is also rising in this part of the world. Management includes early diagnoses and prompt management. However, mortality associated with this disease is still not favorable.

Keywords: malignant cancer of skin, cutaneous malignant melanoma, skin cancer, survival analyses

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Authors: Gül Çevik

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This paper summarizes the work conducted to assess the root cause of the failure of a medium commercial vehicle leaf spring failed in service. Macro- and micro-fractographic analyses by scanning electron microscope as well as material verification tests were conducted in order to understand the failure mechanisms and root cause of the failure. Findings from the fractographic analyses indicated that failure mechanism is fatigue. Crack initiation was identified to have occurred from a point on the top surface near to the front face and to the left side. Two other crack initiation points were also observed, however, these cracks did not propagate. The propagation mode of the fatigue crack revealed that the cyclic loads resulting in crack initiation and propagation were unidirectional bending. Fractographic analyses have also showed that the root cause of the fatigue crack initiation and propagation was loading the part above design stress. Material properties of the part were also verified by chemical composition analysis, microstructural analysis by optical microscopy and hardness tests.

Keywords: leaf spring, failure analysis, fatigue, fractography

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Authors: Yaser Mohammed Altameemi

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This research looks at the representation of the social media for the Saudi Government decrees regarding the developmental projects of the Saudi 2030 vision. The paper analyses a television interview with the Crown Prince Mohammed Bin Salman who talks about the progress of the Saudi vision of 2030, and how the government had acted as response to the COVID-19 pandemic. The interview was on 28/4/2021. The paper analyses the tweets on Twitter that cover the interview for the purpose of investigating the development of concepts and meanings regarding the Saudi peoples’ orientations towards the Saudi projects. The data include all related tweets from the day of the interview and the following seven days after the interview. The finding of the collocation analysis suggests that nationalism notion is explicitly expressed by users in Twitter. The main finding of this paper suggests the importance of further analyses for the concordance lines. However, the collocation network suggests that there is a clear highlight for nationalism.

Keywords: social media, twitter, political interview, prince Mohammed Bin Salman, Saudi vision 2030

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Authors: Radovan Cobanovic, Milica Rankov Sicar

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Biodiesel refers to a vegetable oil - or animal fat-based diesel fuel consisting of long-chain alkyl (methyl, ethyl, or propyl) esters. It is derived by alcoholysis of triacylglycerols (triglycerides) from various lipid based materials that can be traditionally categorized into the following main groups: vegetable oils, animal fats, waste and algal oils. The goal of this study was to evaluate microbiological stability of biodiesel samples since it has been made from vegetable oil or animal fat which was stored on room temperature. For the purposes of this study, analyzes were conducted on six samples of biodiesel first at zero sample at the reception day than fifth, thirtieth, sixtieth, ninetieth and one hundred twentieth day from the day of reception. During this period, biodiesel samples were subjected to microbiological analyses (Salmonella spp., Listeria monocytogenes, Enterobacteriaceae and total plate count). All analyses were tested according to ISO methodology: Salmonella spp ISO 6579, Listeria monocytogenes ISO 11290-2, Enterobacteriaceae ISO 21528-1, total plate count ISO 4833-1. The results obtained after the analyses which were done according to the plan during the 120 days indicate that are no changes of products concerning microbiological analyses. Salmonella spp., Listeria monocytogenes, Enterobacteriaceae were not detected and results for total plate count showed values < 10 cfu/g for all six samples. On the basis of this monitoring under defined storage conditions at room temperatures, the results showed that biodiesel is very stable as far as microbiological analysis were concerned.

Keywords: biodiesel, microbiology, room temperature, stability

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Authors: Radovan Cobanovic, Milica Rankov-Sicar

Abstract:

The fresh cake is in the group of perishable food which cannot be kept a long period of time. The study of sustainability has been done in order to extend the shelf-life of the product which was 10 days. According to the plan of sustainability, it was defined that 5 samples had to be stored for 20 days at max +8°C and analyzed every 5th day from the day of reception until the 20th day. The shelf life of cake has expired during the study of sustainability in the period between 10th and 20th day of analyses. Cake samples were subjected to sensory analysis (appearance, odor, taste, color, aroma) and bacteriological analysis (Listeria monocytogenes, Salmonella spp. and Enterobacteriaceae) according to Serbian state regulation. All analysis were tested according to ISO methodology: sensory analysis ISO 6658, Listeria monocytogenes ISO 11290-1, Salmonella spp ISO 6579, and Enterobacteriaceae ISO 21258-2. Analyses showed that after ten days of storage at a temperature defined by the manufacturers and within the product's shelf life, the cake did not have any noticeable changes in sensory characteristics. Smell and taste are unaffected there was no presence of strange smell or taste. As far as microbiological analyses are concerned, neither one pathogen was detected and number of Enterobacteriaceae was at level less than 102 cfu/g. After expiry of shelf life in a period of 15th and 20th day of storage, the sensory analysis showed the presence of strange sour-milky smell and rancid taste. Concerning microbiological analyses, there still were not positive results for pathogen microorganisms but the number of Enterobacteriaceae was at level more than 103cfu/g. Reviewing the results of sensory analysis indicates that it is not recommended to extend the shelf-life of the product comparing to the already defined shelf-life because occurred changes may adversely affect the consumer desire for the choice of this product.

Keywords: confectionary product, extension of shelf life, sensory and microbiological analyses, sustainability

Procedia PDF Downloads 226

Authors: Chuen-arom Janthimachai-amorn, Chirawadee Harnrittha

Abstract:

This study aims to identify the factors facilitating the knowledge management to develop the graduate study programs to achieve success and to identify the approaches in developing the graduate study programs in the Rajbhat Suansunantha University. The 10 respondents were the administrators, the faculty, and the personnel of its Graduate School. The research methodology was based on Pla-too Model of the Knowledge Management Institute (KMI) by allocating the knowledge indicators, the knowledge creation and search, knowledge systematization, knowledge processing and filtering, knowledge access, knowledge sharing and exchanges and learning. The results revealed that major success factors were knowledge indicators, evident knowledge management planning, knowledge exchange and strong solidarity of the team and systematic and tenacious access of knowledge. The approaches allowing the researchers to critically develop the graduate study programs were the environmental data analyses, the local needs and general situations, data analyses of the previous programs, cost analyses of the resources, and the identification of the structure and the purposes to develop the new programs.

Keywords: program development, knowledge management, graduate study programs, Rajbhat Suansunantha University

Procedia PDF Downloads 290

Authors: Gon Park

Abstract:

Seoul in South Korea established the 2030 Seoul City Master Plan that contains green-link projects to connect critical green areas within the city. However, the plan does not have detailed analyses for green infrastructure to incorporate land-cover information to many structural classes. This study maps green infrastructure networks of Seoul for complementing their green plans with identifying and raking green areas. Hubs and links of main elements of green infrastructure have been identified from incorporating cadastral data of 967,502 parcels to 135 of land use maps using geographic information system. Network analyses were used to rank hubs and links of a green infrastructure map with applying a force-directed algorithm, weighted values, and binary relationships that has metrics of density, distance, and centrality. The results indicate that network analyses using cadastral parcel data can be used as the framework to identify and rank hubs, links, and networks for the green infrastructure planning under a variable scenarios of green areas in cities.

Keywords: cadastral data, green Infrastructure, network analysis, parcel data

Procedia PDF Downloads 177

Authors: Hellal Abdelkader, Chafaa Salah, Boudjemaa Fouzia

Abstract:

A new, convenient, and high yielding procedure for the preparation of diethyl α-aminophosphonates in water via Kabachnik-Fields reaction by one-pot reaction of aromatic aldehydes, ortho-aminophenols, and dialkylphosphites in the presence of a low catalytic amount of citric, malic, tartaric, and oxalic acids as a natural, bi-functional, and highly stable catalyst is described, the obtained products were characterized by elemental analyses, molar conductance, magnetic susceptibility, FTIR, Uv-Vis spectral data, NMR-C, NMR-H, and NMR-P analyses.

Keywords: α-aminophosphonates, aminophenols, natural acids, aqueous media, Kabachnik-Fields reaction

Procedia PDF Downloads 307