Search results for: atomic force spectroscopy

Authors: Mohamed Bendoukha, Mustapha Mosbah

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The Radiographic apparent assumed that the asymptomatic adjacent segment disease ASD is common after lumbar fusion, but this does not correlate with the functional outcomes while compensatory increased motion and stresses at the adjacent level of fusion is well-known to be associated to ASD. Newly developed, the hybrid stabilization are allocated to substituted for mostly the superior level of the fusion in an attempt to reduce the number of fusion levels and likelihood of degeneration process at the adjacent levels during the fusion with pedicle screws. Nevertheless, its biomechanical efficiencies still remain unknown and complications associated with failure of constructs such screw loosening and toggling should be elucidated In the current study, a finite element (FE) study was performed using a validated L2/S1 model subjected to a moment of 7.5 Nm and follower load of 400 N to assess the biomedical behavior of hybrid constructs based on dynamic topping off, semi rigid fusion. The residual range of motion (ROM), stress distribution at the fused and adjacent levels, stress distribution at the disc and the cage-endplate interface with respect to changes of bone quality were investigated. The hybrid instrumentation was associated with a reduction in compressive stresses compared to the fusion construct in the adjacent-level disc and showed high substantial axial force in the implant while fusion instrumentation increased the motion for both flexion and extension.

Keywords: intervertebral disc, lumbar spine, degenerative nuclesion, L4-L5, range of motion finite element model, hyperelasticy

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Authors: H. R. Vosoughifar, Seyedeh Zeinab. Hosseininejad, Nahid Shabazi, Seyed Mohialdin Hosseininejad

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In recent years, structure designers advocate further application of energy absorption devices for lateral loads damping. The Un-bonded Braced Frame (UBF) system is one of the efficient damping systems, which is made of a smart combination of steel and concrete or mortar. In this system, steel bears the earthquake-induced axial force as compressive or tension forces without loss of strength. Concrete or mortar around the steel core acts as a constraint for brace and prevents brace buckling during seismic axial load. In this study, the optimal bracing system in the high-rise structures has been evaluated considering the seismic stress distribution in the connections. An actual 18-story structure was modeled using the proper Finite Element (FE) software where braced with UBF, Eccentrically Braced Frames (EBF) and Concentrically Braced Frame (CBF) systems. Nonlinear static pushover and time-history analyses are then performed so that the acquired results demonstrate that the UBF system reduces drift values in the high-rise buildings. Further statistical analyses show that there is a significant difference between the drift values of UBF system compared with those resulted from the EBF and CBF systems. Hence, the seismic stress distribution in the connections of the proposed structure which braced with UBF system was investigated.

Keywords: optimal bracing system, high-rise structure, finite element analysis (FEA), seismic stress

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Authors: Hashem Shariatmadar, Mozhgansadat Momtazdargahi

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The purpose of control structure against earthquake is to dissipate earthquake input energy to the structure and reduce the plastic deformation of structural members. There are different methods for control structure against earthquake to reduce the structure response that they are active, semi-active, inactive and hybrid. In this paper two different combined control systems are used first system comprises base isolator and multi tuned mass dampers (BI & MTMD) and another combination is hybrid base isolator and multi tuned mass dampers (HBI & MTMD) for controlling an eight story isolated benchmark steel structure. Active control force of hybrid isolator is estimated by fuzzy logic algorithms. The influences of the combined systems on the responses of the benchmark structure under the two near-field earthquake (Newhall & Elcentro) are evaluated by nonlinear dynamic time history analysis. Applications of combined control systems consisting of passive or active systems installed in parallel to base-isolation bearings have the capability of reducing response quantities of base-isolated (relative and absolute displacement) structures significantly. Therefore in design and control of irregular isolated structures using the proposed control systems, structural demands (relative and absolute displacement and etc.) in each direction must be considered separately.

Keywords: base-isolated benchmark structure, multi-tuned mass dampers, hybrid isolators, near-field earthquake, fuzzy algorithm

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Authors: Bina Gupta, Rashmi Singh, Harshit Mahandra

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Molybdenum is a strategic metal and finds applications in petroleum refining, thermocouples, X-ray tubes and in making of steel alloy owing to its high melting temperature and tensile strength. The growing significance and economic value of molybdenum has increased interest in the development of efficient processes aiming its recovery from secondary sources. Main secondary sources of Mo are molybdenum catalysts which are used for hydrodesulphurisation process in petrochemical refineries. The activity of these catalysts gradually decreases with time during the desulphurisation process as the catalysts get contaminated with toxic material and are dumped as waste which leads to environmental issues. In this scenario, recovery of molybdenum from spent catalyst is significant from both economic and environmental point of view. Recently ionic liquids have gained prominence due to their low vapour pressure, high thermal stability, good extraction efficiency and recycling capacity. The present study reports recovery of molybdenum from Mo-Co spent leach liquor using Cyphos IL 102[trihexyl(tetradecyl)phosphonium bromide] as an extractant. Spent catalyst was leached with 3.0 mol/L HCl, and the leach liquor containing Mo-870 ppm, Co-341 ppm, Al-508 ppm and Fe-42 ppm was subjected to extraction step. The effect of extractant concentration on the leach liquor was investigated and almost 85% extraction of Mo was achieved with 0.05 mol/L Cyphos IL 102. Results of stripping studies revealed that 2.0 mol/L HNO3 can effectively strip 94% of the extracted Mo from the loaded organic phase. McCabe- Thiele diagrams were constructed to determine the number of stages required for quantitative extraction and stripping of molybdenum and were confirmed by countercurrent simulation studies. According to McCabe- Thiele extraction and stripping isotherms, two stages are required for quantitative extraction and stripping of molybdenum at A/O= 1:1. Around 95.4% extraction of molybdenum was achieved in two-stage counter current at A/O= 1:1 with the negligible extraction of Co and Al. However, iron was coextracted and removed from the loaded organic phase by scrubbing with 0.01 mol/L HCl. Quantitative stripping (~99.5 %) of molybdenum was achieved with 2.0 mol/L HNO₃ in two stages at O/A=1:1. Overall ~95.0% molybdenum with 99 % purity was recovered from Mo-Co spent catalyst. From the strip solution, MoO₃ was obtained by crystallization followed by thermal decomposition. The product obtained after thermal decomposition was characterized by XRD, FE-SEM and EDX techniques. XRD peaks of MoO₃ correspond to molybdite Syn-MoO₃ structure. FE-SEM depicts the rod-like morphology of synthesized MoO₃. EDX analysis of MoO₃ shows 1:3 atomic percentage of molybdenum and oxygen. The synthesised MoO₃ can find application in gas sensors, electrodes of batteries, display devices, smart windows, lubricants and as a catalyst.

Keywords: cyphos Il 102, extraction, spent mo-co catalyst, recovery

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Authors: Al-Naqdi Ibtehal Abdulmonem

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Kindergarten buildings are essential for early childhood education, providing a secure environment for children's development. However, they are susceptible to seismic forces, which can endanger occupants during earthquakes. This article emphasizes the importance of conducting thorough seismic analysis and implementing proper structural design to protect the well-being of children, staff, and visitors. By prioritizing structural integrity and considering functional requirements, engineers can mitigate risks associated with seismic events. The use of specialized software like ETABS is crucial for designing earthquake-resistant kindergartens. An analysis using ETABS software compared the structural performance of two single-story kindergartens in Iraq's Ministry of Education, designed with and without seismic considerations. The analysis aimed to assess the impact of seismic design on structural integrity and safety. The kindergarten was designed with seismic considerations, including moment frames. In contrast, the same kindergarten was analyzed without seismic effects, revealing a lack of structural elements to resist lateral forces, rendering it vulnerable to structural failure during an earthquake. Maximum major shear increased over 4 times and over 5 times for bending moment in both kindergartens designed with seismic considerations induced by lateral loads and seismic forces. This component of shear force is vital for designing elements to resist lateral loads and ensure structural stability.

Keywords: seismic analysis, structural design, lateral loads, earthquake resistance, major shear, ETABS

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Authors: Mariame Taibi, Marouane Aouiji, Rachid Bengueddour

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The Moroccan coastline is particularly rich in algae and constitutes a reserve of species with considerable economic, social and ecological potential. This work focuses on the research and characterization of algae bioactive compounds that can be used in pharmacology or phytopathology. The biochemical composition of the green alga Ulva lactuca (Ulvophyceae) was studied by determining the content of moisture, ash, phenols, flavonoids, total tannins, and chlorophyll. Seven solvents: distilled water, methanol, ethyl acetate, chloroform, benzene, petroleum ether, and hexane, were tested for their effectiveness in recovering chemical compounds. The identification of functional groupings, as well as the bioactive chemical compounds, was determined by FT-IR and GC-MS. The moisture content of the alga was 77%, while the ash content was 15%. Phenol content differed from one solvent studied to another, while chlorophyll a, b, and total chlorophyll were determined at 14%, 9.52%, and 25%, respectively. Carotenoid was present in a considerable amount (8.17%). The experimental results show that methanol is the most effective solvent for recovering bioactive compounds, followed by water. Moreover, the green alga Ulva lactuca is characterized by a high level of total polyphenols (45±3.24 mg GAE/gDM), average levels of total tannins and flavonoids (22.52±8.23 mg CE/gDM, 15.49±0.064 mg QE/gDM) respectively. The results of Fourier transform infrared spectroscopy (FT-IR) confirmed the presence of alcohol/phenol and amide functions in Ulva lactuca. The GC-MS analysis gave precisely the compounds contained in the various extracts, such as phenolic compounds, fatty acids, terpenoids, alcohols, alkanes, hydrocarbons, and steroids. All these results represent only a first step in the search for biologically active natural substances from seaweed. Additional tests are envisaged to confirm the bioactivity of seaweed.

Keywords: algae, Ulva lactuca, phenolic compounds, FTIR, GC-MS

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Authors: Yu. Mateyshina, A. Ulihin, N. Uvarov

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Supercapacitors are one of the most promising devices for energy storage applications as they can provide higher power density than batteries and higher energy density than conventional dielectric capacitors. Carbon materials with various microtextures are considered as main candidates for supercapacitors in terms of high surface area, interconnected pore structure, controlled pore size, high electrical conductivity and environmental friendliness. The specific capacitance (C) of the electrode material of the Electrochemical Double Layer Capacitors (EDLC) is known to depend on the specific surface area (Ss) and the pore structure. Activated carbons are most commonly used in supercapacitors because of their high surface area (Ss ≥ 1000 m2/g), good adhesion to electrolytes and low cost. In this work, electrochemical properties of new microporous and mesoporous carbon electrode materials were studied. The aim of the work was to investigate the relationship between the specific capacitance and specific surface area in a series of materials prepared from different organic precursors.. As supporting matrixes different carbon samples with Ss = 100-2000 m2/g were used. The materials were modified by treatment in acids (H2SO4, HNO3, acetic acid) in order to enable surface hydrophilicity. Then nanoparticles of transition metal oxides (for example NiO) were deposited on the carbon surfaces using methods of salts impregnation, mechanical treatment in ball mills and the precursors decomposition. The electrochemical characteristics of electrode hybrid materials were investigated in a symmetrical two-electrode cell using an impedance spectroscopy, voltammetry in both potentiodynamic and galvanostatic modes. It was shown that the value of C for the materials under study strongly depended on the preparation method of the electrode and the type of electrolyte (1 M H2SO4, 6 M KOH, 1 M LiClO4 in acetonitryl). Specific capacity may be increased by the introduction of nanoparticles from 50-100 F/g for initial carbon materials to 150-300 F/g for nanocomposites which may be used in supercapacitors. The work is supported by the по SC-14.604.21.0013.

Keywords: supercapacitors, carbon electrode, mesoporous carbon, electrochemistry

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Authors: Arash M. Shahidi, Tilak Dias, Gayani K. Nandasiri

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While graduated compression is the foundation of treatment and management of many medical complications such as leg ulcer, varicose veins, and lymphedema, monitoring the interface pressure has been conducted using different sensors that operate based on diverse approaches. The variations existed from the pressure readings collected using different interface pressure measurement systems would cause difficulties in taking a decision regarding the compression therapy. It is crucial to acknowledge the differences existing between direct and indirect pressure measurement systems while considering the commercially available systems such as AMI, Picopress and OPM which are under direct measurements systems, and HATRA (BSI), HOSY (RAL-GZ) and FlexiForce which comes under the indirect measurement system. Furthermore, Piezo-resistive sensors (Flexiforce) can measure the changes in resistance corresponding to the applied force on the sensing area. Direct pressure measuring systems are capable of measuring interface pressure on the three-dimensional states, while the indirect pressure measuring systems stretch the fabric in the two-dimensional direction and extrapolate pressure from surface tension measured on the device and neglect the vital factor which is the radius of curvature. In this study, a leg mannequin of known dimensions is selected with a knitted class 3 compression stocking. It has been decided to evaluate the data collected from different available systems (AMI, PicoPress, FlexiForce, and HATRA) and compare the results. The results showed a discrepancy between Hatra, AMI, Picopress, and Flexiforce against the pressure standard used to generate class 3 compression stocking. As predicted a higher pressure value with direct interface measuring systems were monitored against HATRA due to the effect of the radius of curvature.

Keywords: AMI, FlexiForce, graduated compression, HATRA, interface pressure, PicoPress

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Authors: Jairo Alejandro Fernandez Ortega

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Objective: Regarding effects of training velocity on strength in the functional condition of older adults controversy exists. The purpose of this study was to examine the effects of a twelve-week strength training program (PE) performed at high speed (GAV) versus a traditionally executed program (GBV), on functional performance, maximum strength and muscle power in a group of older adult women. Methodology: 86 women aged between 60-81 years participated voluntarily in the study and were assigned randomly to the GAV (three series at 40% 1RM at maximum speed, with maximum losses of 10% speed) or to the GBV (three series with three sets at 70% of 1RM). Both groups performed three weekly trainings. The maximum strength of upper and lower limbs (1RM), prehensile strength, walking speed, maximum power, mean propulsive velocity (MPV) and functional performance (senior fitness test) were evaluated before and after the PE. Results: Significant improvements were observed (p < 0.05) in all the tests in the two groups after the twelve weeks of training. However, the results of GAV were significantly (P < 0.05) higher than those of the GBV, in the tests of agility and dynamic equilibrium, stationary walking, sitting and standing, walking speed over 4 and 6 meters, MPV and peak power. In the tests of maximum strength and prehensile force, the differences were not significant. Conclusion: Strength training performed at high speeds seems to have a better effect on functional performance and muscle power than strength training performed at low speed.

Keywords: power training, resistance exercise, aging, strength, physical performance, high-velocity, resistance training

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Authors: Natalie M. Khazaal

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The effects of the civil war on Lebanese women have been challenging to conceptualize. For some, war is a liberating and empowering force for women, while for others it is one that subjugates women and disempowers them in new ways. Scholars have explored the impact on the Lebanese civil war (1975-1990) on women in the fields of labor history, political activism and literary production. In all these arenas, women’s role and visibility were contested and negotiated in diverse ways. But probably the most visible arena where this contestation took place was television. Dramatized entertainment series were crucial sites where fictional women battled out the gender question, and which reflected and participated in the negotiations of gender politics. Even more stunningly, actual television stations became part of this battle through the plots and portrayals of women that they created. The state-backed Tele-Liban (TL) peddled patriarchal articulations of gender that directly competed with the edgy vision of liberated, independent women on the pirate Lebanese Broadcasting Corporation (LBC). This presentation explores how LBC used gender to distinguish its brand against the retrograde TL programing. Television series are an important medium for creating, testing and reenacting gender politics. They are even more consequential in another way. They are the sites where a dramatic shift in the relationship between Arab television and Arab publics—from benign neglect of public concerns towards engagement with audiences—took place for the first time. As this shift is at the heart of why Arab media was seen as a participant in the Arab uprisings, it is important to explore the roots of the shift in the dramas and comedy series of the mid-1980s Lebanese television. This presentation argues that television battles over gender were consequential and need serious consideration as sites of unexpected meaning.

Keywords: gender, Lebanon, television, war, women

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Authors: Mohammed Panthakkal Abdul Muthalif, Shanmugasundaram Kanagaraj, Jumi Park, Hangyu Park, Youngson Choe

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The present study reports the incorporation of calcium ions into the CuS counter electrodes (CEs) in order to modify the photovoltaic performance of quantum dot-sensitized solar cells (QDSSCs). Metal ion-doped CuS thin film was prepared by the chemical bath deposition (CBD) method on FTO substrate and used directly as counter electrodes for TiO₂/CdS/CdSe/ZnS photoanodes based QDSSCs. For the Ca-doped CuS thin films, copper nitrate and thioacetamide were used as anionic and cationic precursors. Calcium nitrate tetrahydrate was used as doping material. The surface morphology of Ca-doped CuS CEs indicates that the fragments are uniformly distributed, and the structure is densely packed with high crystallinity. The changes observed in the diffraction patterns suggest that Ca dopant can introduce increased disorder into CuS material structure. EDX analysis was employed to determine the elemental identification, and the results confirmed the presence of Cu, S, and Ca on the FTO glass substrate. The photovoltaic current density – voltage characteristics of Ca-doped CuS CEs shows the specific improvements in open circuit voltage decay (Voc) and short-circuit current density (Jsc). Electrochemical impedance spectroscopy results display that Ca-doped CuS CEs have greater electrocatalytic activity and charge transport capacity than bare CuS. All the experimental results indicate that 20% Ca-doped CuS CE based QDSSCs exhibit high power conversion efficiency (η) of 4.92%, short circuit current density of 15.47 mA cm⁻², open circuit photovoltage of 0.611 V, and fill factor (FF) of 0.521 under illumination of one sun.

Keywords: Ca-doped CuS counter electrodes, surface morphology, chemical bath deposition method, electrocatalytic activity

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Authors: Saeid Eshghi, Neeraj Saxena, Abdulmajeed Alsultan

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Carbon dioxide (CO₂) alongside other gas emissions in the atmosphere cause a greenhouse effect, resulting in an increase of the average temperature of the planet. Transportation vehicles are among the main contributors of CO₂ emission. Stationary vehicles with initiated motors produce more emissions than mobile ones. Intersections with traffic lights that force the vehicles to become stationary for a period of time produce more CO₂ pollution than other parts of the road. This paper focuses on analyzing the CO₂ produced by the traffic flow at Anzac Parade Road - Barker Street intersection in Sydney, Australia, before and after the implementation of Light rail transport (LRT). The data are gathered during the construction phase of the LRT by collecting the number of vehicles on each path of the intersection for 15 minutes during the evening rush hour of 1 week (6-7 pm, July 04-31, 2018) and then multiplied by 4 to calculate the flow of vehicles in 1 hour. For analyzing the data, the microscopic simulation software “VISSIM” has been used. Through the analysis, the traffic flow was processed in three stages: before and after implementation of light rail train, and one during the construction phase. Finally, the traffic results were input into another software called “EnViVer”, to calculate the amount of CO₂ during 1 h. The results showed that after the implementation of the light rail, CO₂ will drop by a minimum of 13%. This finding provides an evidence that light rail is a sustainable mode of transport.

Keywords: carbon dioxide, emission modeling, light rail, microscopic model, traffic flow

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Authors: Nodi Islam

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This paper critically reads Rumi’s poems in The Masnavi (Book One) and the philosophy of master-disciple relationship, as reflected as a medium to attain the higher consciousness in the poems which is considered as spiritual by the Sufi practitioners. This paper further applies the concept of collective consciousness introduced by Durkheim, which stands for a set of beliefs, ideas, moral attitudes that operate as a unifying force in a certain society, in reading Rumi’s poems. According to Sufi philosophy, in order to reach to the beloved who is the Higher Being, a lover has to be a disciple of a master and dedicate himself completely even if it means to give up the earthly desires. When the process is completed, he achieves the divinity which is the utmost happiness to be one with the beloved. As this process is considered spiritual by the Sufi practitioners, this paper suggests that, apart from being spiritual, this is a reflection of collective consciousness also. This process plays a part to construct the collectivity as a means to create masters and disciples. Collective consciousness operates in this particular belief system of Sufis who tend to follow this phenomenon as a rule of obedience and accepts the rule because this is how their particular community proceeds on. This paper offers a view of Rumi’s poems which reflect such relationship and tends to offer a general discussion on the hegemonic approach of the Sufi society especially of the Mevlevi order. Finally, this paper offers a constructive representation of Mevlevi society based upon the idea of spirituality which could be an outcome of psychological and social issues and practices.

Keywords: collective consciousness, divinity, master-disciple relationship, Mevlevi order

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Authors: Swarnapriya Thiyagarajan, Modesto Antonio Sosa Aquino, Miguel Vallejo Hernandez, Senthilkumar Kalaiselvan Dhivyaraj, Jayaramakrishnan Velusamy

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In this paper the lithium tetra borate (Li2B4O7) was prepared by used water/solution assisted synthesis method. Once finished the synthesization, Copper (Cu) were used to doping material with Li2B4O7 in order to enhance its thermo luminescent properties. The heating temperature parameters were 750°C for 2 hr and 150°C for 2hr. The samples produced by water assisted method were doped at different doping percentage (0.02%, 0.04%, 0.06%, 0.08%, 0.12%, 0.5%, 0.1%, and 1%) of Cu.The characteristics and identification of Li2B4O7 (undoped and doped) were determined in four tests. They are X-ray diffraction (XRD), Scanning electron microscope (SEM), Photoluminescence (PL), Ultra violet visible spectroscopy (UV Vis). As it is evidence from the XRD and SEM results the obtained Li2B4O7 and Li2B4O7 doping with Cu was confirmed and also confirmed the chemical compositition and their morphologies. The obtained lithium tetraborate XRD pattern result was verified with the reference data of lithium tetraborate with tetragonal structure from JCPDS. The glow curves of Li2B4O7 and Li2B4O7 : Cu were obtained by thermo luminescence (TLD) reader (Harshaw 3500). The pellets were irradiated with different kind of dose (58mGy, 100mGy, 500mGy, and 945mGy) by using an X-ray source. Finally this energy response was also compared with TLD100. The order of kinetics (b), frequency factor (S) and activation energy (E) or the trapping parameters were calculated using peak shape method. Especially Li2B4O7: Cu (0.1%) presents good glow curve in all kind of doses. The experimental results showed that this Li2B4O7: Cu could have good potential applications in radiation dosimetry. The main purpose of this paper is to determine the effect of synthesis on the TL properties of doped lithium tetra borate Li2B4O7.

Keywords: dosimetry, irradiation, lithium tetraborate, thermoluminescence

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Authors: Jasmin Cowin

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Augmented reality digital technologies, big data, and the need for a teacher workforce able to meet the demands of a knowledge-based society are poised to lead to major changes in the field of education. This paper explores applications and educational use cases of augmented reality digital technologies for educational organizations during the Fourth Industrial Revolution. The Fourth Industrial Revolution requires vision, flexibility, and innovative educational conduits by governments and educational institutions to remain competitive in a global economy. Educational organizations will need to focus on teaching in and for a digital age to continue offering academic knowledge relevant to 21st-century markets and changing labor force needs. Implementation of contemporary disciplines will need to be embodied through learners’ active knowledge-making experiences while embracing ubiquitous accessibility. The power of distributed ledger technology promises major streamlining for educational record-keeping, degree conferrals, and authenticity guarantees. Augmented reality digital technologies hold the potential to restructure educational philosophies and their underpinning pedagogies thereby transforming modes of delivery. Structural changes in education and governmental planning are already increasing through intelligent systems and big data. Reimagining and redesigning education on a broad scale is required to plan and implement governmental and institutional changes to harness innovative technologies while moving away from the big schooling machine.

Keywords: fourth industrial revolution, artificial intelligence, big data, education, augmented reality digital technologies, distributed ledger technology

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Authors: Osman Adiguzel

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Shape memory effect is a peculiar property exhibited by certain alloy systems and based on martensitic transformation, and shape memory properties are closely related to the microstructures of the material. Shape memory effect is linked with martensitic transformation, which is a solid state phase transformation and occurs with the cooperative movement of atoms by means of lattice invariant shears on cooling from high-temperature parent phase. Lattice twinning and detwinning can be considered as elementary processes activated during the transformation. Thermally induced martensite occurs as martensite variants, in self-accommodating manner and consists of lattice twins. Also, this martensite is called the twinned martensite or multivariant martensite. Deformation of shape memory alloys in martensitic state proceeds through a martensite variant reorientation. The martensite variants turn into the reoriented single variants with deformation, and the reorientation process has great importance for the shape memory behavior. Copper based alloys exhibit this property in metastable β- phase region, which has DO3 –type ordered lattice in ternary case at high temperature, and these structures martensiticaly turn into the layered complex structures with lattice twinning mechanism, on cooling from high temperature parent phase region. The twinning occurs as martensite variants with lattice invariant shears in two opposite directions, <110 > -type directions on the {110}- type plane of austenite matrix. Lattice invariant shear is not uniform in copper based ternary alloys and gives rise to the formation of unusual layered structures, like 3R, 9R, or 18R depending on the stacking sequences on the close-packed planes of the ordered lattice. The unit cell and periodicity are completed through 18 atomic layers in case of 18R-structure. On the other hand, the deformed material recovers the original shape on heating above the austenite finish temperature. Meanwhile, the material returns to the twinned martensite structures (thermally induced martensite structure) in one way (irreversible) shape memory effect on cooling below the martensite finish temperature, whereas the material returns to the detwinned martensite structure (deformed martensite) in two-way (reversible) shape memory effect. Shortly one can say that the microstructural mechanisms, responsible for the shape memory effect are the twinning and detwinning processes as well as martensitic transformation. In the present contribution, x-ray diffraction, transmission electron microscopy (TEM) and differential scanning calorimetry (DSC) studies were carried out on two copper-based ternary alloys, CuZnAl, and CuAlMn.

Keywords: shape memory effect, martensitic transformation, twinning and detwinning, layered structures

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Authors: Odunjo Oluronke Omolola, Okanlawon Simon Ayorinde

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This study examines the relationship between house characteristics and socio-economic characteristics of developers in Ibadan, southwest, Nigeria. The research is borne out of the fact that social housing has not done much as a result of finance and housing poverty is on the increase in the country. Multistage random sampling was used in selecting 2,646 respondents in the area. The questionnaire forms the basic instrument for data collection and was administered to heads of households to collect information on socio-economic and demographic characteristics as well as characteristics of development. Both descriptive and inferential statistical analyses were employed in the presentation of the findings; MANOVA was used to analyse the relationship between house characteristics measured by wall materials (Y1-Yn) and socio-economic characteristics of developers measured by gender (X1), religion (X2), educational background (X3) and employment status (X4).The study found out that the bulk of the respondents (65.7%) were male, while 51.7% practiced Christianity. Also, 35.9% had HND/1st/Postgraduate degree, while 43.9% were self employed; Most households however, had membership size of 5 (26.9%). The significant wall material in the area was sandcrete block (71.2%) as opposed to mud (19.1%) and brick (0.6%). Multiple Analysis of Variance shows that there is a significant relationship between sandcrete block and each of gender (X1) and employment status (X3). The factor adduced to this is accessibility to cooperative societies which serve as the gravitational force of attraction for housing finance. The study suggests among others that, there should be re-invigoration of existing cooperative societies, while more should be established for the provision of housing finance.

Keywords: relationship, house development, developers, sandcrete block, cooperative societies

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Authors: Akanimo Emene, Robert Edyvean

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In developing countries, a low cost method of wastewater treatment is highly recommended. Adsorption is an efficient and economically viable treatment process for wastewater. The utilisation of this process is based on the understanding of the relationship between the growth environment and the metal capacity of the biomaterial. Luffa cylindrica (LC), a plant material, was used as an adsorbent in adsorption design system of heavy metals. The chemically modified LC was used to adsorb heavy metals ions, lead and cadmium, from aqueous environmental solution at varying experimental conditions. Experimental factors, adsorption time, initial metal ion concentration, ionic strength and pH of solution were studied. The chemical nature and surface area of the tissues adsorbing heavy metals in LC biosorption systems were characterised by using electron microscopy and infra-red spectroscopy. It showed an increase in the surface area and improved adhesion capacity after chemical treatment. Metal speciation of the metal ions showed the binary interaction between the ions and the LC surface as the pH increases. Maximum adsorption was shown between pH 5 and pH 6. The ionic strength of the metal ion solution has an effect on the adsorption capacity based on the surface charge and the availability of the adsorption sites on the LC. The nature of the metal-surface complexes formed as a result of the experimental data were analysed with kinetic and isotherm models. The pseudo second order kinetic model and the two-site Langmuir isotherm model showed the best fit. Through the understanding of this process, there will be an opportunity to provide an alternative method for water purification. This will be provide an option, for when expensive water treatment technologies are not viable in developing countries.

Keywords: adsorption, luffa cylindrica, metal-surface complexes, pH

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Authors: Jamerson Felipe Pereira Lima, Jeane Cecília Bezerra de Melo

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The difficulty and cost related to obtaining of protein tertiary structure information through experimental methods, such as X-ray crystallography or NMR spectroscopy, helped raising the development of computational methods to do so. An approach used in these last is prediction of tridimensional structure based in the residue chain, however, this has been proved an NP-hard problem, due to the complexity of this process, explained by the Levinthal paradox. An alternative solution is the prediction of intermediary structures, such as the secondary structure of the protein. Artificial Intelligence methods, such as Bayesian statistics, artificial neural networks (ANN), support vector machines (SVM), among others, were used to predict protein secondary structure. Due to its good results, artificial neural networks have been used as a standard method to predict protein secondary structure. Recent published methods that use this technique, in general, achieved a Q3 accuracy between 75% and 83%, whereas the theoretical accuracy limit for protein prediction is 88%. Alternatively, to achieve better results, support vector machines prediction methods have been developed. The statistical evaluation of methods that use different AI techniques, such as ANNs and SVMs, for example, is not a trivial problem, since different training sets, validation techniques, as well as other variables can influence the behavior of a prediction method. In this study, we propose a prediction method based on artificial neural networks, which is then compared with a selected SVM method. The chosen SVM protein secondary structure prediction method is the one proposed by Huang in his work Extracting Physico chemical Features to Predict Protein Secondary Structure (2013). The developed ANN method has the same training and testing process that was used by Huang to validate his method, which comprises the use of the CB513 protein data set and three-fold cross-validation, so that the comparative analysis of the results can be made comparing directly the statistical results of each method.

Keywords: artificial neural networks, protein secondary structure, protein structure prediction, support vector machines

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Authors: Gaurav Bhanjana, Ganga Ram Chaudhary, Sandeep Kumar, Neeraj Dilbaghi

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Main sources of endocrine disrupting compounds in the ecosystem are hormones, pesticides, phthalates, flame retardants, dioxins, personal-care products, coplanar polychlorinated biphenyls (PCBs), bisphenol A, and parabens. These endocrine disrupting compounds are responsible for learning disabilities, brain development problems, deformations of the body, cancer, reproductive abnormalities in females and decreased sperm count in human males. Although discharge of these chemical compounds into the environment cannot be stopped, yet their amount can be retarded through proper evaluation and detection techniques. The available techniques for determination of these endocrine disrupting compounds mainly include high performance liquid chromatography (HPLC), mass spectroscopy (MS) and gas chromatography-mass spectrometry (GC–MS). These techniques are accurate and reliable but have certain limitations like need of skilled personnel, time consuming, interference and requirement of pretreatment steps. Moreover, these techniques are laboratory bound and sample is required in large amount for analysis. In view of above facts, new methods for detection of endocrine disrupting compounds should be devised that promise high specificity, ultra sensitivity, cost effective, efficient and easy-to-operate procedure. Nowadays, electrochemical sensors/biosensors modified with nanomaterials are gaining high attention among researchers. Bioelement present in this system makes the developed sensors selective towards analyte of interest. Nanomaterials provide large surface area, high electron communication feature, enhanced catalytic activity and possibilities of chemical modifications. In most of the cases, nanomaterials also serve as an electron mediator or electrocatalyst for some analytes.

Keywords: electrochemical, endocrine disruptors, microscopy, nanoparticles, sensors

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Authors: Bina Gupta, Rashmi Singh, Harshit Mahandra

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Molybdenum is a strategic metal and finds applications in petroleum refining, thermocouples, X-ray tubes and in making of steel alloy owing to its high melting temperature and tensile strength. The growing significance and economic value of molybdenum have increased interest in the development of efficient processes aiming its recovery from secondary sources. Main secondary sources of Mo are molybdenum catalysts which are used for hydrodesulphurisation process in petrochemical refineries. The activity of these catalysts gradually decreases with time during the desulphurisation process as the catalysts get contaminated with toxic material and are dumped as waste which leads to environmental issues. In this scenario, recovery of molybdenum from spent catalyst is significant from both economic and environmental point of view. Recently ionic liquids have gained prominence due to their low vapour pressure, high thermal stability, good extraction efficiency and recycling capacity. Present study reports recovery of molybdenum from Mo-Co spent leach liquor using Cyphos IL 102[trihexyl(tetradecyl)phosphonium bromide] as an extractant. Spent catalyst was leached with 3 mol/L HCl and the leach liquor containing Mo-870 ppm, Co-341 ppm, Al-508 ppm and Fe-42 ppm was subjected to extraction step. The effect of extractant concentration on the leach liquor was investigated and almost 85% extraction of Mo was achieved with 0.05 mol/L Cyphos IL 102. Results of stripping studies revealed that 2 mol/L HNO3 can effectively strip 94% of the extracted Mo from the loaded organic phase. McCabe-Thiele diagrams were constructed to determine the number of stages required for quantitative extraction and stripping of molybdenum and were confirmed by counter current simulation studies. According to McCabe-Thiele extraction and stripping isotherms, two stages are required for quantitative extraction and stripping of molybdenum at A/O= 1:1. Around 95.4% extraction of molybdenum was achieved in two stage counter current at A/O= 1:1 with negligible extraction of Co and Al. However, iron was coextracted and removed from the loaded organic phase by scrubbing with 0.01 mol/L HCl. Quantitative stripping (~99.5 %) of molybdenum was achieved with 2.0 mol/L HNO3 in two stages at O/A=1:1. Overall ~95.0% molybdenum with 99 % purity was recovered from Mo-Co spent catalyst. From the strip solution, MoO3 was obtained by crystallization followed by thermal decomposition. The product obtained after thermal decomposition was characterized by XRD, FE-SEM and EDX techniques. XRD peaks of MoO3correspond to molybdite Syn-MoO3 structure. FE-SEM depicts the rod like morphology of synthesized MoO3. EDX analysis of MoO3 shows 1:3 atomic percentage of molybdenum and oxygen. The synthesised MoO3 can find application in gas sensors, electrodes of batteries, display devices, smart windows, lubricants and as catalyst.

Keywords: cyphos IL 102, extraction, Mo-Co spent catalyst, recovery

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Authors: G. Wagner, R. Herrmann

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Cytotoxic platinum compounds play a major role in the chemotherapy of a large number of human cancers. However, due to the severe side effects for the patient and other problems associated with their use, there is a need for the development of more efficient drugs and new methods for their selective delivery to the tumours. One way to achieve the latter could be in the use of nanoparticular substrates that can adsorb or chemically bind the drug. In the cell, the drug is supposed to be slowly released, either by physical desorption or by dissolution of the particle framework. Ideally, the cytotoxic properties of the platinum drug unfold only then, in the cancer cell and over a longer period of time due to the gradual release. In this paper, we report on our first steps in this direction. The binding properties of a series of cytotoxic Pt(II) oxadiazoline compounds to mesoporous silica particles has been studied by NMR and UV/vis spectroscopy. High loadings were achieved when the Pt(II) compound was relatively polar, and has been dissolved in a relatively nonpolar solvent before the silica was added. Typically, 6-10 hours were required for complete equilibration, suggesting the adsorption did not only occur to the outer surface but also to the interior of the pores. The untreated and Pt(II) loaded particles were characterised by C, H, N combustion analysis, BET/BJH nitrogen sorption, electron microscopy (REM and TEM) and EDX. With the latter methods we were able to demonstrate the homogenous distribution of the Pt(II) compound on and in the silica particles, and no Pt(II) bulk precipitate had formed. The in vitro cytotoxicity in a human cancer cell line (HeLa) has been determined for one of the new platinum compounds adsorbed to mesoporous silica particles of different size, and compared with the corresponding compound in solution. The IC50 data are similar in all cases, suggesting that the release of the Pt(II) compound was relatively fast and possibly occurred before the particles reached the cells. Overall, the platinum drug is chemically stable on silica and retained its activity upon prolonged storage.

Keywords: cytotoxicity, mesoporous silica, nanoparticles, platinum compounds

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Authors: Khadijat O. Abdulwahab, Mohammad A. Malik, Paul O’Brien, Grigore A. Timco, Floriana Tuna

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The synthesis of spinel ferrite nanoparticles with a narrow size distribution is very crucial in their numerous applications including information storage, hyperthermia treatment, drug delivery, contrast agent in magnetic resonance imaging, catalysis, sensors, and environmental remediation. Ferrites have the general formula MFe2O4 (M = Fe, Co, Mn, Ni, Zn etc.) and possess remarkable electrical and magnetic properties which depend on the cations, method of preparation, size and their site occupancies. To the best of our knowledge, there are no reports on the use of a single source precursor to synthesise quaternary ferrite nanoparticles. Herein, we demonstrated the use of trimetallic iron pivalate cluster [CrCoFeO(O2CtBu)6(HO2CtBu)3] as a single source precursor to synthesise monodisperse cobalt chromium ferrite (FeCoCrO4) nanoparticles by the hot injection thermolysis method. The precursor was thermolysed in oleylamine, oleic acid, with diphenyl ether as solvent at its boiling point (260°C). The effect of concentration on the stoichiometry, phases or morphology of the nanoparticles was studied. The p-XRD patterns of the nanoparticles obtained at both concentrations were matched with cubic iron cobalt chromium ferrite (FeCoCrO4). TEM showed that a more monodispersed spherical ferrite nanoparticles of average diameter 4.0 ± 0.4 nm were obtained at higher precursor concentration. Magnetic measurements revealed that all the ferrite particles are superparamagnetic at room temperature. The nanoparticles were characterised by Powder X-ray Diffraction (p-XRD), Transmission Electron Microscopy (TEM), Inductively Coupled Plasma (ICP), Electron Probe Microanalysis (EPMA), Energy Dispersive Spectroscopy (EDS) and Super Conducting Quantum Interference Device (SQUID).

Keywords: quaternary ferrite nanoparticles, single source precursor, monodisperse, cobalt chromium ferrite, colloidal, hot injection thermolysis

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Authors: Jasna Čanadanović-Brunet, Gordana Ćetković, Sonja Djilas, Vesna Tumbas-Šaponjac, Jelena Vulić, Sladjana Stajčić

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Honey, produced by the honeybee, is a natural saturated sugar solution, which is mainly composed of a complex mixture of carbohydrates. Besides this, it also contains certain minor constituents, proteins, enzymes, amino and organic acids, lipids, vitamins, phenolic acids, flavonoids and carotenoids. Honey serves as a source of natural antioxidants, which are effective in reducing the risk of heart disease, cancer, immune-system decline, cataracts, and different inflammatory processes. Honey is consumed in its natural form alone, but also in combination with nuts and various kinds of dried fruits (plums, figs, cranberries, apricots etc.). The aim of this research was to investigate the contribution of dried apricot addition to polyphenols and flavonoids contents and antioxidant activities of honey. Some individual phenolic compounds in Serbian polyfloral honey (PH), linden honey (LH) and also in their mixtures with dried apricot, in 40% mass concentrations (PH40; LH40), were identified and quantified by HPLC. The most dominant phenolic compound was: gallic acid in LH (11.14 mg/100g), LH40 (42.65 mg/100g), PH (7.24 mg/100g) and catehin in PH40 (11.83 mg/100g). The antioxidant activity of PH, LH, PH40 and LH40 was tested by measuring their ability to scavenge hydroxyl radicals (OH) by electron spin resonance spectroscopy (ESR). Honey samples with 40% dried apricot exhibited better antioxidant activity measured by hydroxyl radical scavenging activity. The EC50 values, the amount of antioxidant necessary to decrease the initial concentration of OH radicals by 50%, were: EC50PH=3.36 mg/ml, EC50LH=13.36 mg/ml, EC50PH40=2.29 mg/ml, EC50 LH40=7.78 mg/ml. Our results indicate that supplementation of polyfloral honey and linden honey with dried apricots improves antioxidant activity of honey by enriching the phenolic composition.

Keywords: honey, dried apricot, HPLC, hydroxyl radical

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Authors: Busiswa Madikazi

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This systematic mapping study explores the underrepresentation of women's contributions to farming in the Global South within the development of Information and Communication Technologies (ICT)-based extension methods. Despite women farmers constituting 70% of the agricultural labour force, their productivity is hindered by various constraints, including illiteracy, household commitments, and limited access to credit and markets. A systematic mapping approach was employed with the aim of identifying evidence gaps in existing ICT extension for women farmers. The data collection protocol follows a structured approach, incorporating key criteria for inclusion, exclusion, search strategy, and coding and the PICO strategy (Population, Intervention, Comparator, and Outcome). The results yielded 119 articles that qualified for inclusion. The findings highlight that mobile phone apps (WhatsApp) and radio/television programming are the primary extension methods employed while integrating ICT with training, field visits, and demonstrations are underutilized. Notably, the study emphasizes the inadequate attention to critical issues such as food security, gender equality, and attracting youth to farming within ICT extension efforts. These findings indicate a significant policy and practice gap, neglecting community-driven approaches that cater to women's specific needs and enhance their agricultural production. Map highlights the importance of refocusing ICT extension efforts to address women farmers’ unique challenges, thereby contributing to their empowerment and improving agricultural practices.

Keywords: agricultural extension, ICT, women farmers, smallholders

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Authors: Qiming Wang

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Dynamic polymer networks (DPNs) crosslinked by dynamic bonds have received intensive attention because of their special crack-healing capability. Diverse DPNs have been synthesized using a number of dynamic bonds, including dynamic covalent bond, hydrogen bond, ionic bond, metal-ligand coordination, hydrophobic interaction, and others. Despite the promising success in the polymer synthesis, the fundamental understanding of their self-healing mechanics is still at the very beginning. Especially, a general analytical model to understand the interfacial self-healing behaviors of DPNs has not been established. Here, we develop polymer-network based analytical theories that can mechanistically model the constitutive behaviors and interfacial self-healing behaviors of DPNs. We consider that the DPN is composed of interpenetrating networks crosslinked by dynamic bonds. bonds obey a force-dependent chemical kinetics. During the self-healing process, we consider the The network chains follow inhomogeneous chain-length distributions and the dynamic polymer chains diffuse across the interface to reform the dynamic bonds, being modeled by a diffusion-reaction theory. The theories can predict the stress-stretch behaviors of original and self-healed DPNs, as well as the healing strength in a function of healing time. We show that the theoretically predicted healing behaviors can consistently match the documented experimental results of DPNs with various dynamic bonds, including dynamic covalent bonds (diarylbibenzofuranone and olefin metathesis), hydrogen bonds, and ionic bonds. We expect our model to be a powerful tool for the self-healing community to invent, design, understand, and optimize self-healing DPNs with various dynamic bonds.

Keywords: self-healing polymers, dynamic covalent bonds, hydrogen bonds, ionic bonds

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Authors: N. R. Badurally Adam, S. R. Monebhurrun, M. Z. Dauhoo, A. Khoodaruth

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Transport energy demand is vital for the economic growth of any country. Globalisation and better standard of living plays an important role in transport energy demand. Recently, transport energy demand in Mauritius has increased significantly, thus leading to an abuse of natural resources and thereby contributing to global warming. Forecasting the transport energy demand is therefore important for controlling and managing the demand. In this paper, we develop a model to predict the transport energy demand. The model developed is based on a system of five stochastic differential equations (SDEs) consisting of five endogenous variables: fuel price, population, gross domestic product (GDP), number of vehicles and transport energy demand and three exogenous parameters: crude birth rate, crude death rate and labour force. An interval of seven years is used to avoid any falsification of result since Mauritius is a developing country. Data available for Mauritius from year 2003 up to 2009 are used to obtain the values of design variables by applying genetic algorithm. The model is verified and validated for 2010 to 2012 by substituting the values of coefficients obtained by GA in the model and using particle swarm optimisation (PSO) to predict the values of the exogenous parameters. This model will help to control the transport energy demand in Mauritius which will in turn foster Mauritius towards a pollution-free country and decrease our dependence on fossil fuels.

Keywords: genetic algorithm, modeling, particle swarm optimization, stochastic differential equations, transport energy demand

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Authors: Mohammad Shabani

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The physical activities depending on the nature of the mechanical stresses they induce on bone sometimes have brought about different results. The purpose of this study was to compare bone mineral density (BMD) of the lumbar spine between the high-level cyclists and sedentary. Materials and Methods: In the present study, 73 cyclists senior (age: 25.81 ± 4.35 years; height: 179.66 ± 6.31 cm; weight: 71.55 ± 6.31 kg) and 32 sedentary subjects (age: 28.28 ± 4.52 years; height: 176.56 ± 6.2 cm; weight: 74.47 ± 8.35 kg) participated voluntarily. All cyclists belonged to the different teams from the International Cycling Union and they trained competitively for 10 years. BMD of the lumbar spine of the subjects was measured using DXA X-ray (Lunar). Descriptive statistics calculations were performed using computer software data processing (Statview 5, SAS Institute Inc. USA). The comparison of two independent distributions (BMD high level cyclists and sedentary) was made by the Student T Test standard. Probability 0.05 (p≤0 / 05) was adopted as significance. Results: The result of this study showed that the BMD values of the lumbar spine of sedentary subjects were significantly higher for all measured segments. Conclusion and Discussion: Cycling is firstly a common sport and on the other hand endurance sport. It is now accepted that weight bearing exercises have an osteogenic effect compared to non-weight bearing exercises. Thus, endurance sports such as cycling, compared to the activities imposing intense force in short time, seem not to really be osteogenic. Therefore, it can be concluded that cycling provides low stimulates osteogenic because of specific biomechanical forces of the sport and its lack of impact.

Keywords: BMD, lumbar spine, high level cyclist, cycling

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Authors: Qian Li, Zhaoping Zhong

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Sewage sludge, a typical solid waste, has inevitably been produced in enormous quantities in China. Still worse, the amount of sewage sludge produced has been increasing due to rapid economic development and urbanization. Compared to the conventional method to treat sewage sludge, pyrolysis has been considered an economic and ecological technology because it can significantly reduce the sludge volume, completely kill pathogens, and produce valuable solid, gas, and liquid products. However, the large-scale utilization of sludge biochar has been limited due to the considerable risk posed by heavy metals in the sludge. Heavy metals enriched in pyrolytic biochar could be divided into exchangeable, reducible, oxidizable, and residual forms. The residual form of heavy metals is the most stable and cannot be used by organisms. Kaolin and zeolite are environmentally friendly inorganic minerals with a high surface area and heat resistance characteristics. So, they exhibit the enormous potential to immobilize heavy metals. In order to reduce the risk of leaching heavy metals in the pyrolysis biochar, this study pyrolyzed sewage sludge mixed with kaolin/zeolite in a small rotary kiln. The influences of additives and pyrolysis temperature on the leaching concentration and morphological transformation of heavy metals in pyrolysis biochar were investigated. The potential mechanism of stabilizing heavy metals in the co-pyrolysis of sludge blended with kaolin/zeolite was explained by scanning electron microscopy, X-ray diffraction, and specific surface area and porosity analysis. The European Community Bureau of Reference sequential extraction procedure has been applied to analyze the forms of heavy metals in sludge and pyrolysis biochar. All the concentrations of heavy metals were examined by flame atomic absorption spectrophotometry. Compared with the proportions of heavy metals associated with the F4 fraction in pyrolytic carbon prepared without additional agents, those in carbon obtained by co-pyrolysis of sludge and kaolin/zeolite increased. Increasing the additive dosage could improve the proportions of the stable fraction of various heavy metals in biochar. Kaolin exhibited a better effect on stabilizing heavy metals than zeolite. Aluminosilicate additives with excellent adsorption performance could capture more released heavy metals during sludge pyrolysis. Then heavy metal ions would react with the oxygen ions of additives to form silicate and aluminate, causing the conversion of heavy metals from unstable fractions (sulfate, chloride, etc.) to stable fractions (silicate, aluminate, etc.). This study reveals that the efficiency of stabilizing heavy metals depends on the formation of stable mineral compounds containing heavy metals in pyrolysis biochar.

Keywords: co-pyrolysis, heavy metals, immobilization mechanism, sewage sludge

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Authors: Sarah Gaßmeyer, Nadine Hülsemann, Raphael Stoll, Kenji Miyamoto, Robert Kourist

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Enzymatic racemization allows the smooth interconversion of stereocenters under very mild reaction conditions. Racemases find frequent applications in deracemization and dynamic kinetic resolutions. Arylmalonate decarboxylase (AMDase) from Bordetella Bronchiseptica has high structural similarity to amino acid racemases. These cofactor-free racemases are able to break chemically strong CH-bonds under mild conditions. The racemase-like catalytic machinery of mutant G74C conveys it a unique activity in the racemisation of pharmacologically relevant derivates of 2-phenylpropionic acid (profenes), which makes AMDase G74C an interesting object for the mechanistic investigation of cofactor-independent racemases. Structure-guided protein engineering achieved a variant of this unique racemase with 40-fold increased activity in the racemisation of several arylaliphatic carboxylic acids. By saturation–transfer–difference NMR spectroscopy (STD-NMR), substrate binding during catalysis was investigated. All atoms of the substrate showed interactions with the enzyme. STD-NMR measurements revealed distinct nuclear Overhauser effects in experiments with and without molecular conversion. The spectroscopic analysis led to the identification of several amino acid residues whose variation increased the activity of G74C. While single-amino acid exchanges increased the activity moderately, structure-guided saturation mutagenesis yielded a quadruple mutant with a 40 times higher reaction rate. This study presents STD-NMR as versatile tool for the analysis of enzyme-substrate interactions in catalytically competent systems and for the guidance of protein engineering.

Keywords: racemase, rational protein design, STD-NMR, structure guided saturation mutagenesis

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