Search results for: quantum chemical investigation

Authors: Mahmoud Abu-Ghoush, Murad Al Holy

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Our main goal in this project is to study the causes and finding solutions for both the hydrolytic and the oxidative rancidity that can be produced during condensed yoghurt production. The re pasteurization of the pasteurized milk and the addition of different types of antioxidants (ascorbic acid and propyl gallate) were used to achieve this goal. Chemical, physical, microbial and sensory tests were done to evaluate the product. It was found that there were significant differences between the different treatments and the control regarding the peroxide value. This means that the addition of both types of antioxidants have a positive effect in decreasing the rancidity value. However, it was found that there were some samples have hydrolytic rancidity flavour without any type of oxidative rancidity (low peroxide value). To overcome this problem the re pasteurization step was used to destroy all the vegetative form of microbes. It was found that this treatment was very useful in controlling the rancidity flavour according to the sensory evaluation of the condensed yoghurt products for several batches. The best condensed yoghurt which contains 0.25% ascorbic acid exhibited the highest sensory properties values. Also, it has the ability in lowering the oxidative rancidity in the combination with the re pasteurization step of the pasteurized milk. This suggests that a higher quality and stable condensed yoghurt can be obtained upon using this combination. These results may help producers in selecting the best treatment methods to overcome the rancidity flavor in this type of condensed yoghurt.

Keywords: antioxidants, condensed yoghurt, repasturization, condensed milk

Procedia PDF Downloads 286

Authors: Mladen Jankovic, Biljana Djuric, Djurdja Oljaca, Vladimir Damjanovic, Radislav Filipovic, Zoran Obrenovic

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One of the key characteristics of zeolites with ZSM-5 crystalline form is the possibility of synthesis in a wide range of molar ratios, from the relatively low ratio of about 20 to highly silicate forms with a Si/Al ratio over 1000. For industrial production and commercial use of this type of zeolite, it is very important to know the influence of the molar Si/Al ratio on the characteristics of zeolite powders. In this paper, the influence of the Si/Al ratio on the characteristics of H-ZSM-5 zeolites synthesized in the presence of tetrapropylammonium bromide is questioned, including the possibility of conversion to the H-form using different acids. The quality of the samples is characterized in terms of crystallinity, chemical composition, morphology, granulometry, specific surface area (BET), pore size and acidity. XRD, FT-IR, EDX, ICP, SEM and TPD instrumental techniques were used to characterize the samples. In most of the performed syntheses, zeolite has been obtained with very good properties. It was shown that the examined conditions have a significant influence on the characteristics of the synthesized powders. The different chemical composition of the starting mixture, ie. the Si/Al ratio, has a very significant influence on the crystal structure of the synthesized powders, and thus on the other tested characteristics. It has been observed that optimal ion exchange results for powders of different Si/Al ratios are achieved by using different acids. Also, the dependence of the specific surface on the concentration of H+ or Na+ ions was confirmed.

Keywords: Characterisation, H-ZSM-5, molar ratio, synthesis, tetrapropylammonium bromide

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Authors: Samir Hessas

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Modern medicine is witnessing a profound transformation as advanced technology reshapes surgical environments. Hybrid operating rooms, where state-of-the-art medical equipment, advanced imaging solutions, and Artificial Intelligence (AI) converge, are at the forefront of this revolution. In this comprehensive exploration, we scrutinize the multifaceted facets of AI and delve into an array of groundbreaking technologies. We also discuss visionary concepts that hold the potential to revolutionize hybrid operating rooms, making them more efficient and patient-centered. These innovations encompass real-time imaging, surgical simulation, IoT and remote monitoring, 3D printing, telemedicine, quantum computing, and nanotechnology. The outcome of this fusion of technology and imagination is a promising future of surgical precision, individualized patient care, and unprecedented medical advances in hybrid operating rooms.

Keywords: artificial intelligence, hybrid operating rooms, telemedicine, monitoring

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Authors: Hirokatsu Kawashima

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In an attempt to elucidate relationships between listening to music and pronunciation learning, a classroom-based investigation was conducted with Japanese EFL learners (n=45). The subjects were instructed to listen to English songs they liked on YouTube, especially paying attention to phonologically similar vowel and consonant minimal pair words (e.g., live and leave). This kind of activity, which included taking notes, was regularly carried out in the classroom, and the same kind of task was given to the subjects as homework in order to reinforce the in-class activity. The duration of these activities was eight weeks, after which the program was evaluated on a 9-point scale (1: the lowest and 9: the highest) by learners’ self-evaluation. The main questions for this evaluation included 1) how good the learners had been at pronouncing vowel and consonant minimal pair words originally, 2) how often they had listened to songs good for pronouncing vowel and consonant minimal pair words, 3) how frequently they had moved their mouths to vowel and consonant minimal pair words of English songs, and 4) how much they thought the program would support and enhance their pronunciation learning of phonologically similar vowel and consonant minimal pair words. It has been found, for example, A) that the evaluation of this program is by no means low (Mean: 6.51 and SD: 1.23), suggesting that listening to music may support and enhance pronunciation learning, and B) that listening to consonant minimal pair words in English songs and moving the mouth to them are more related to the program’s evaluation (r =.69, p=.00 and r =.55, p=.00, respectively) than listening to vowel minimal pair words in English songs and moving the mouth to them (r =.45, p=.00 and r =.39, p=.01, respectively).

Keywords: minimal pair, music, pronunciation, song

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Authors: Ammar Benamrani

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This work investigates the equation of state parameters, elastic constants, and several other physical properties of (B2-type) Yttrium-Copper (YCu) rare earth intermetallic compound using the projected augmented wave (PAW) pseudopotentials method as implemented in the Quantum Espresso code. Using both the local density approximation (LDA) and the generalized gradient approximation (GGA), the finding of this research on the lattice parameter of YCu intermetallic compound agree very well with the experimental ones. The obtained results of the elastic constants and the Debye temperature are also in general in good agreement compared to the theoretical ones reported previously in literature. Furthermore, several thermodynamic properties of YCu intermetallic compound have been studied using quasi-harmonic approximations (QHA). The calculated data on the thermodynamic properties shows that the free energy and both isothermal and adiabatic bulk moduli decrease gradually with increasing of the temperature, while all other thermodynamic quantities increase with the temperature.

Keywords: Yttrium-Copper intermetallic compound, thermo_pw package, elastic constants, thermodynamic properties

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Authors: Francesca Gullo, Paola Palmero, Massimo Messori

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Transparent wood is considered a promising structural material for the development of environmentally friendly, energy-efficient engineered components. To obtain transparent wood from natural wood materials two approaches can be used: i) bottom-up and ii) top-down. Through the second method, the color of natural wood samples is lightened through a chemical bleaching process that acts on chromophore groups of lignin, such as the benzene ring, quinonoid, vinyl, phenolics, and carbonyl groups. These chromophoric units form complex conjugate systems responsible for the brown color of wood. There are two strategies to remove color and increase the whiteness of wood: i) lignin removal and ii) lignin bleaching. In the lignin removal strategy, strong chemicals containing chlorine (chlorine, hypochlorite, and chlorine dioxide) and oxidizers (oxygen, ozone, and peroxide) are used to completely destroy and dissolve the lignin. In lignin bleaching methods, a moderate reductive (hydrosulfite) or oxidative (hydrogen peroxide) is commonly used to alter or remove the groups and chromophore systems of lignin, selectively discoloring the lignin while keeping the macrostructure intact. It is, therefore, essential to manipulate nanostructured wood by precisely controlling the nanopores in the cell walls by monitoring both chemical treatments and process conditions, for instance, the treatment time, the concentration of chemical solutions, the pH value, and the temperature. The elimination of wood light scattering is the second step in the fabrication of transparent wood materials, which can be achieved through two-step approaches: i) the polymer impregnation method and ii) the densification method. For the polymer impregnation method, the wood scaffold is treated with polymers having a corresponding refractive index (e.g., PMMA and epoxy resins) under vacuum to obtain the transparent composite material, which can finally be pressed to align the cellulose fibers and reduce interfacial defects in order to have a finished product with high transmittance (>90%) and excellent light-guiding. However, both the solution-based bleaching and the impregnation processes used to produce transparent wood generally consume large amounts of energy and chemicals, including some toxic or pollutant agents, and are difficult to scale up industrially. Here, we report a method to produce optically transparent wood by modifying the lignin structure with a chemical reaction at room temperature using small amounts of hydrogen peroxide in an alkaline environment. This method preserves the lignin, which results only deconjugated and acts as a binder, providing both a strong wood scaffold and suitable porosity for infiltration of biobased polymers while reducing chemical consumption, the toxicity of the reagents used, polluting waste, petroleum by-products, energy and processing time. The resulting transparent wood demonstrates high transmittance and low thermal conductivity. Through the combination of process efficiency and scalability, the obtained materials are promising candidates for application in the field of construction for modern energy-efficient buildings.

Keywords: bleached wood, energy-efficient components, hydrogen peroxide, transparent wood, wood composites

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Authors: Joanna Estkowska

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Sensory integration methods are very useful and improve daily functioning autistic and mentally disabled children. Autism is a neurobiological disorder that impairs one's ability to communicate with and relate to others as well as their sensory system. Children with autism, even highly functioning kids, can find it difficult to process language with surrounding noise or smells. They are hypersensitive to things we can ignore such as sight, sounds and touch. Adolescents with highly functioning autism or Asperger Syndrome can study Science and Math but the social aspect is difficult for them. Nature science is an area of study that attracts many of these kids. It is a systematic field in which the children can focus on a small aspect. If you follow these rules you can come up with an expected result. Sensory integration program and systematic classroom observation are quantitative methods of measuring classroom functioning and behaviors from direct observations. These methods specify both the events and behaviors that are to be observed and how they are to be recorded. Our students with and without autism attended the lessons in the classroom of nature science in the school and in the laboratory of University of Science and Technology in Bydgoszcz. The aim of this study is investigation the effects of sensory integration methods in teaching to students with autism. They were observed during experimental lessons in the classroom and in the laboratory. Their physical characteristics, sensory dysfunction, and behavior in class were taken into consideration by comparing their similarities and differences. In the chemistry classroom, every autistic student is paired with a mentor from their school. In the laboratory, the children are expected to wear goggles, gloves and a lab coat. The chemistry classes in the laboratory were held for four hours with a lunch break, and according to the assistants, the children were engaged the whole time. In classroom of nature science, the students are encouraged to use the interactive exhibition of chemical, physical and mathematical models constructed by the author of this paper. Our students with and without autism attended the lessons in those laboratories. The teacher's goals are: to assist the child in inhibiting and modulating sensory information and support the child in processing a response to sensory stimulation.

Keywords: autism spectrum disorder, science education, sensory integration techniques, student with special educational needs

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Authors: Kei Kamada, Rikito Murakami, Masahiko Ito, Mototaka Arakawa, Yasuhiro Shoji, Toshiyuki Ueno, Masao Yoshino, Akihiro Yamaji, Shunsuke Kurosawa, Yuui Yokota, Yuji Ohashi, Akira Yoshikawa

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Techniques of energy harvesting y have been widely developed in recent years, due to high demand on the power supply for ‘Internet of things’ devices such as wireless sensor nodes. In these applications, conversion technique of mechanical vibration energy into electrical energy using magnetostrictive materials n have been brought to attention. Among the magnetostrictive materials, Fe-Ga and Fe-Al alloys are attractive materials due to the figure of merits such price, mechanical strength, high magnetostrictive constant. Up to now, bulk crystals of these alloys are produced by the Bridgman–Stockbarger method or the Czochralski method. Using these method big bulk crystal up to 2~3 inch diameter can be grown. However, non-uniformity of chemical composition along to the crystal growth direction cannot be avoid, which results in non-uniformity of magnetostriction constant and reduction of the production yield. The micro-pulling down (μ-PD) method has been developed as a shaped crystal growth technique. Our group have reported shaped crystal growth of oxide, fluoride single crystals with different shape such rod, plate tube, thin fiber, etc. Advantages of this method is low segregation due to high growth rate and small diffusion of melt at the solid-liquid interface, and small kerf loss due to near net shape crystal. In this presentation, we report the shaped long plate crystal growth of Fe-Ga and Fe-Al alloys using the μ-PD method. Alloy crystals were grown by the μ-PD method using calcium oxide crucible and induction heating system under the nitrogen atmosphere. The bottom hole of crucibles was 5 x 1mm² size. A <100> oriented iron-based alloy was used as a seed crystal. 5 x 1 x 320 mm³ alloy crystal plates were successfully grown. The results of crystal growth, chemical composition analysis, magnetostrictive properties and a prototype vibration energy harvester are reported. Furthermore, continuous crystal growth using powder supply system will be reported to minimize the chemical composition non-uniformity along the growth direction.

Keywords: crystal growth, micro-pulling-down method, Fe-Ga, Fe-Al

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Authors: Mai M. Farid, Mona El-Shabrawy, Sameh R. Hussein, Ahmed Elkhateeb, El-Said S. Abdel-Hameed, Mona M. Marzouk

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Asphodelus aestivus Brot. Is a wild plant distributed in Egypt and is considered one of the five Asphodelus spp. from the family Asphodelaceae; it grows in dry grasslands and on rocky or sandy soil. The chemical components of A. aestivus flowers extract were analyzed using different chromatographic and spectral techniques and led to the isolation of two anthraquinones identified as emodin and emodin-O-glucoside. In addition to, five flavonoid compounds;kaempferol,Kaempferol-3-O-glucoside,Apigenin-6-C-glucoside-7-O-glucoside (Saponarine), luteolin 7-O-β-glucopyranoside, Isoorientin-O-malic acid which is a new compound in nature. The LC-ESI-MS/MS analysis of the flower extract of A. aestivus led to the identification of twenty- two compounds characterized by the presence of flavones, flavonols, and flavone C-glycosides. While GC/MS analysis led to the identification of 24 compounds comprising 98.32% of the oil, the major components of the oil were 9, 12, 15-Octadecatrieoic acid methyl ester 28.72%, and 9, 12-Octadecadieroic acid (Z, Z)-methyl ester 19.96%. In vitro cytotoxic activity of the aqueous methanol extract of A. aestivus flowers against HEPG2, HCT-116, MCF-7, and A549 culture was examined and showed moderate inhibition (62.3±1.1)% on HEPG2 cell line followed by (36.8±0.2)% inhibition on HCT-116 and a weak inhibition (5.7± 0.0.2) on MCF-7 cell line followed by (4.5± 0.4) % inhibition on A549 cell line and this is considered the first cytotoxic report of A. aestivus flowers.

Keywords: Anthraquinones, Asphodelus aestivus, Cytotoxic activity, Flavonoids, LC-ESI-MS/MS

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Authors: M. I. Benamrani, H. Benamrani

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In the research to replace silicon and other thin-film semiconductor technologies and to develop long-term technology that is environmentally friendly, low-cost, and abundant, there is growing interest today given to organic materials. Our objective is to prepare polymeric layers containing metal particles deposited on a surface of semiconductor material which can have better electrical properties and which could be applied in the fields of nanotechnology as an alternative to the existing processes involved in the design of electronic circuits. This work consists in the development of composite materials by complexation and electroreduction of copper in a film of poly (pyrrole benzoic acid). The deposition of the polymer film on a monocrystalline silicon substrate is made by electrochemical oxidation in an organic medium. The incorporation of copper particles into the polymer is achieved by dipping the electrode in a solution of copper sulphate to complex the cupric ions, followed by electroreduction in an aqueous solution to precipitate the copper. In order to prepare the monocrystalline silicon substrate as an electrode for electrodeposition, an in-depth study on its surface state was carried out using photoacoustic spectroscopy. An analysis of the optical properties using this technique on the effect of pickling using a chemical solution was carried out. Transmission-photoacoustic and impedance spectroscopic techniques give results in agreement with those of photoacoustic spectroscopy.

Keywords: photoacoustic, spectroscopy, copper sulphate, chemical solution

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Authors: Nina Sankat, Gerd Wilsch, Cassian Gottlieb, Steven Millar, Tobias Guenther

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Laser-Induced Breakdown Spectroscopy (LIBS) is a combination of laser ablation and optical emission spectroscopy, which in principle can simultaneously analyze all elements on the periodic table. Materials can be analyzed in terms of chemical composition in a two-dimensional, time efficient and minor destructive manner. These advantages predestine LIBS as a monitoring technique in the field of civil engineering. The decreasing service life of concrete infrastructures is a continuously growing problematic. A variety of intruding, harmful substances can damage the reinforcement or the concrete itself. To insure a sufficient service life a regular monitoring of the structure is necessary. LIBS offers many applications to accomplish a successful examination of the conditions of concrete structures. A selection of those applications are the 2D-evaluation of chlorine-, sodium- and sulfur-concentration, the identification of carbonation depths and the representation of the heterogeneity of concrete. LIBS obtains this information by using a pulsed laser with a short pulse length (some mJ), which is focused on the surfaces of the analyzed specimen, for this only an optical access is needed. Because of the high power density (some GW/cm²) a minimal amount of material is vaporized and transformed into a plasma. This plasma emits light depending on the chemical composition of the vaporized material. By analyzing the emitted light, information for every measurement point is gained. The chemical composition of the scanned area is visualized in a 2D-map with spatial resolutions up to 0.1 mm x 0.1 mm. Those 2D-maps can be converted into classic depth profiles, as typically seen for the results of chloride concentration provided by chemical analysis like potentiometric titration. However, the 2D-visualization offers many advantages like illustrating chlorine carrying cracks, direct imaging of the carbonation depth and in general allowing the separation of the aggregates from the cement paste. By calibrating the LIBS-System, not only qualitative but quantitative results can be obtained. Those quantitative results can also be based on the cement paste, while excluding the aggregates. An additional advantage of LIBS is its mobility. By using the mobile system, located at BAM, onsite measurements are feasible. The mobile LIBS-system was already used to obtain chloride, sodium and sulfur concentrations onsite of parking decks, bridges and sewage treatment plants even under hard conditions like ongoing construction work or rough weather. All those prospects make LIBS a promising method to secure the integrity of infrastructures in a sustainable manner.

Keywords: concrete, damage assessment, harmful substances, LIBS

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Authors: Liu De-jun, Fu Jing, Zhang Rong, Luo Tian, Ma Ning

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Cs-137, the radioactive fission products of uranium, can be easily dissolved in water during the accident of nuclear power plant, such as Chernobyl, Three Mile Island, Fukushima accidents. The concentration of Cs in the groundwater around the nuclear power plant exceeded the standard value almost 10,000 times after the Fukushima accident. The adsorption capacity of Titanate nano-materials for radioactive cation (Cs+) is very strong. Moreover, the radioactive ion can be tightly contained in the nanotubes or nanofibers without reversible adsorption, and it can safely be fixed. In addition, the nano-material has good chemical stability, thermal stability and mechanical stability to minimize the environmental impact of nuclear waste and waste volume. The preparation of titanate nanotubes or nanofibers was studied by hydrothermal methods, and chemical kinetics of removal of Cs by nano-materials was obtained. The adsorption time with maximum adsorption capacity and the effects of pH, coexisting ion concentration and the optimum adsorption conditions on the removal of Cs by titanate nano-materials were also obtained. The adsorption boundary curves, adsorption isotherm and the maximum adsorption capacity of Cs-137 as tracer on the nano-materials were studied in the research. The experimental results showed that the removal rate of Cs-137 in 0.01 tons of waste water with only 1 gram nano-materials could reach above 98%, according to the optimum adsorption conditions.

Keywords: preparation, titanate, cs-137, removal, nuclear

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Authors: S. Roy, R. Rekha, K. Sriram, G. Subhadra, R. Johana

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Cardiovascular disease remains a leading cause of death in most industrialized countries. Many chemical drugs are available in the market which targets different receptor proteins related to cardiovascular diseases. Of late the traditional herbal drugs are safer when compared to chemical drugs because of its side effects. However, many herbal remedies used in treating cardiovascular diseases have not undergone scientific assessment to prove its pharmacological activities. There are many natural compounds, nature derived and Natural product mimic compounds are available which are in the market as approved drug. In the most of the cases drug activity at the molecular level are not known. Here we have categorized those compounds with our experimental compounds in different classes based on the structural similarity and physicochemical properties, using a tool, Chemmine and has attempted to understand the mechanism of the action of a experimental compound, which are clustered with Simvastatin, Lovastatin, Mevastatin and Pravastatin. Target protein molecule for Simvastatin, Lovastatin, Mevastatin and Pravastatin is HMG-CoA reductase, so we concluded that the experimental compound may be able to bind to the same target. Molecular docking and atomic interaction studies with simvastatin and our experimental compound were compared. A pharmacophore modeling was done based on the experimental compound and HMG-CoA reductase inhibitor.

Keywords: molecular docking, physicochemical properties, pharmacophore modeling structural similarity, pravastatin

Procedia PDF Downloads 321

Authors: M. S. Abd El-Sadek, M. A. Omar, Gharib M. Taha

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In recent years, photocatalytic degradation of various kinds of organic and inorganic pollutants using semiconductor powders as photocatalysts has been extensively studied. Owing to its relatively high photocatalytic activity, biological and chemical stability, low cost, nonpoisonous and long stable life, Tin oxide materials have been widely used as catalysts in chemical reactions, including synthesis of vinyl ketone, oxidation of methanol and so on. Tin oxide (SnO₂), with a rutile-type crystalline structure, is an n-type wide band gap (3.6 eV) semiconductor that presents a proper combination of chemical, electronic and optical properties that make it advantageous in several applications. In the present work, SnO₂ nanoparticles were synthesized at room temperature by the sol-gel process and thermohydrolysis of SnCl₂ in isopropanol by controlling the crystallite size through calculations. The synthesized nanoparticles were identified by using XRD analysis, TEM, FT-IR, and Uv-Visible spectroscopic techniques. The crystalline structure and grain size of the synthesized samples were analyzed by X-Ray diffraction analysis (XRD) and the XRD patterns confirmed the presence of tetragonal phase SnO₂. In this study, Methylene blue degradation was tested by using SnO₂ nanoparticles (at different calculations temperatures) as a photocatalyst under sunlight as a source of irradiation. The results showed that the highest percentage of degradation of Methylene blue dye was obtained by using SnO₂ photocatalyst at calculations temperature 800 ᵒC. The operational parameters were investigated to be optimized to the best conditions which result in complete removal of organic pollutants from aqueous solution. It was found that the degradation of dyes depends on several parameters such as irradiation time, initial dye concentration, the dose of the catalyst and the presence of metals such as silver as a dopant and its concentration. Percent degradation was increased with irradiation time. The degradation efficiency decreased as the initial concentration of the dye increased. The degradation efficiency increased as the dose of the catalyst increased to a certain level and by further increasing the SnO₂ photocatalyst dose, the degradation efficiency is decreased. The best degradation efficiency on which obtained from pure SnO₂ compared with SnO₂ which doped by different percentage of Ag.

Keywords: SnO₂ nanoparticles, a sol-gel method, photocatalytic applications, methylene blue, degradation efficiency

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Authors: Sayed Obeidullah Abrar

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Nanosensor is the combination of two terms nanoparticles and sensors. These are chemical or physical sensor constructed using nanoscale components, usually microscopic or submicroscopic in size. These sensors are very sensitive and can detect single virus particle or even very low concentrations of substances that could be potentially harmful. Nanosensors have a large scope of research especially in the field of medical sciences, military applications, pharmaceuticals etc.

Keywords: HIV/AIDS, nanosensors, DNA, RNA

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Authors: K. Kong, E. Ferrier, L. Michel

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The purpose of this research was to investigate the creep behaviour of the heterogeneous Timber-UHPFRC beams. New developments have been done to further improve the structural performance, such as strengthening of the timber (glulam) beam by bonding composite material combine with an ultra-high performance fibre reinforced concrete (UHPFRC) internally reinforced with or without carbon fibre reinforced polymer (CFRP) bars. However, in the design of wooden structures, in addition to the criteria of strengthening and stiffness, deformability due to the creep of wood, especially in horizontal elements, is also a design criterion. Glulam, UHPFRC and CFRP may be an interesting composite mix to respond to the issue of creep behaviour of composite structures made of different materials with different rheological properties. In this paper, we describe an experimental and analytical investigation of the creep performance of the glulam-UHPFRC-CFRP beams assembled by bonding. The experimental investigations creep behaviour was conducted for different environments: in- and outside under constant loading for approximately a year. The measured results are compared with numerical ones obtained by an analytical model. This model was developed to predict the creep response of the glulam-UHPFRC-CFRP beams based on the creep characteristics of the individual components. The results show that heterogeneous glulam-UHPFRC beams provide an improvement in both the strengthening and stiffness, and can also effectively reduce the creep deflection of wooden beams.

Keywords: carbon fibre-reinforced polymer (CFRP) bars, creep behaviour, glulam, ultra-high performance fibre reinforced concrete (UHPFRC)

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Authors: Ehiedu Philomina Kika, Jessica Chinonso Ehilegbu

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The exploration and production of fossil fuel particularly crude oil has led to some serious environmental damage in some oil producing communities like the Bodo Community who rely heavily on their aquatic environment for food and water. This study was therefore carried out to investigate the level of some heavy metals in water and Callinectes amnicola (Swimming Crab) in the month of August, September and October from Bodo creek, Rivers State, Nigeria. The physico-chemical parameters of the water were also analyzed in-situ. The levels of heavy metals, Lead (Pb), Cadmium (Cd), Chromium (Cr), Zinc (Zn), Copper (Cu) were analyzed in water and in Callinectes amnicola (Swimming Crab), using Atomic Absorption Spectrophotometer (AAS) after acid digestion. For the concentration of heavy metals in water, Pb ranged from 0.103 - 0.791 mg/l, Zn 0.0025 - 0.342 mg/l, Cr < 0.001 - 0.304 mg/l, Cd 0.011 - 0.116 mg/l and Cu <0.001 - 0.079 mg/l. For the concentration of heavy metals in Callinectes amnicola (Swimming Crab), the level of Pb ranged from 0.359 - 0.849 mg/l, Zn 0.134 - 0.342 mg/l, Cd 0.053 - 0.103 mg/l, Cr < 0.001 - <0.001 mg/l, Cu < 0.001 - 0.131 mg/l. The concentrations of Pb, Cd and Cr for all water and crab samples collected from the various stations were higher than permissible level suggesting serious anthropogenic influence. Thus, precaution needs to be taken to prevent further contamination and adequate purification measures need to be put in place. Therefore, there should be periodic environmental pollution monitoring, for assessment and awareness especially with regards heavy metal.

Keywords: Bodo creek, crude oil, heavy metal, swimming crab

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Authors: B. F. Dada, B. S. Ewulo, M. A. Awodun, S. O. Ajayi

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Aggregate soil carbon distribution and stock in the soil in the form of a carbon pool is important for soil fertility and sequestration. The amount of carbon pool and other nutrients statues of the soil are to benefit plants, animal and the environment in the long run. This study was carried out at Akure North and South Local Government; the study area is one of the 18 Local Government Areas of Ondo State in the Southwest geo-political zone of Nigeria. The sites were divided into Map Grids and geo-referenced with Global Positioning System (GPS). Horizons were designated and morphological description carried out on the field. Pedons were characterized and classified according to USDA soil taxonomy. The local government area shares boundaries with; Ikere Local Government (LG) in the North, Ise Orun LG in the northwest, Ifedore LG in the northeast Akure South LG in the East, Ose LG in the South East, and Owo LG in the South. SOC-pool at Federal College of Agriculture topsoil horizon A2 is significantly higher than all horizons, 67.83 th⁻¹. The chemical properties of the pedons have shown that the soil is very strongly acidic to neutral reaction (4.68 – 6.73). The nutrients status of the soil topsoil A1 and A2 generally indicates that the soils have a low potential for retaining plant nutrients, and therefore call for adequate soil management.

Keywords: soil organic carbon (SOC), horizon, pedon, Akure

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Authors: Dekie Rawung, Abdul L. Abadi, Toto Himawan, Siegfried Berhimpon

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A case study on consumer' knowledge, attitude, and behavior on food safety issue related to pesticide residues in cabbage was conducted in the area of Manado and Tomohon city, North Sulawesi. A sample of 150 consumers were selected randomly on location (open market and supermarket) while they were purchasing vegetables. The data on consumers’ perception, knowledge, attitude and behavior on food safety issue regarding pesticide residues were collected using a 5-point, two-section Likert-Scale questionnaire, and the relationship of knowledge, attitude, and behavior on food safety issues were analyzed using Structural Equation Modeling (SEM). It was found that, among many food safety issues, the illegal, non-food chemical preservatives were considered the most important one (by more than 35% respondents), followed by high cholesterol content and textile coloring chemical (> 27% respondents). The pesticide residues issue was only in the 4th place. The same results were seen on the issue of quality factors that determine the product selection during purchasing. The pesticide-free and organic products labels were considered much less important quality factors as compared with freshness and nutrition value which were considered the most and the second most important quality factors (almost 65% of respondents). SEM analysis showed that only knowledge and attitude on food safety that had the significant relation (coefficient value of 0.38), whereas those with behaviors were not significant.

Keywords: cabbage, consumer, food safety, pesticide residues

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Authors: Touhari Fadhila, Mehaiguene Madjid, Meddi Mohamed

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This work aims to assess the quality of water dams based on the monitoring of physical-chemical parameters by the National Agency of Water Resources (ANRH) for a period of 10 years (1999-2008). Quality sheets of surface water for the four dams in the region of upper Cheliff (Ghrib, Deurdeur, Harreza, and Ouled Mellouk) show a degradation of the quality (organic pollution expressed in COD and OM) over time. Indeed, the registered amount of COD often exceeds 50 mg/ l, and the OM exceeds 15 mg/l. This pollution is caused by discharges of wastewater and eutrophication. The waters of dams show a very high salinity (TDS = 2574 mg/l in 2008 for the waters of the dam Ghrib, standard = 1500 mg/l). The concentration of nitrogenous substances (NH₄⁺, NO₂^-) in water is high in 2008 at Ouled Melloukdam. This pollution is caused by the oxidation of nitrogenous organic matter. On the other hand, we studied the relationship between the evolution of quality parameters and filling dams. We observed a decrease in the salinity and COD following an improvement of the filling state of dams, this resides in the dilution water through the contribution of rainwater. While increased levels of nitrates and phosphorus in the waters of four dams studied during the rainy season is compared to the dry period, this increase may be due to leaching from fertilizers used in agricultural soils situated in watersheds.

Keywords: surface water quality, pollution, physical-chemical parameters, upper Cheliff basin.

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Authors: Erhong Sun, Xuchun Ye

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Technophobia, namely the fear or dislike of modern advanced technologies, plays a central role in age-related digital divides and is considered a new risk factor for older adults, which can affect the daily lives of people through low adherence to digital living. Indeed, there is considerable heterogeneity in the group of older adults who feel technophobia. Therefore, the aim of this study was to identify different technophobia typologies of older people and to examine their associations with the subjective age factor. A sample of 704 retired elderly over the age of 55 was recruited in China. Technophobia and subjective age were assessed with a questionnaire, respectively. Latent profile analysis was used to identify technophobia subgroups, using three dimensions including techno-anxiety, techno-paranoia, and privacy concerns as indicators. The association between the identified technophobia subgroups and subjective age was explored. In summary, four different technophobia typologies were identified among older adults in China. Combined with an investigation of personal background characteristics and subjective age, it draws a more nuanced image of the technophobia phenome among older adults in China. First, not all older adults suffer from technophobia, with about half of the elderly subjects belonging to the profiles of “Low-technophobia” and “Medium-technophobia.” Second, privacy concern plays an important role in the classification of technophobia among older adults. Third, subjective age might be a protective factor for technophobia in older adults. Although the causal direction between identified technophobia typologies and subjective age remains uncertain, our suggests that future interventions should better focus on subjective age by breaking the age stereotype of technology to reduce the negative effect of technophobia on older. Future development of this research will involve extensive investigation of the detailed impact of technophobia in senior populations, measurement of the negative outcomes, as well as formulation of innovative educational and clinical pathways.

Keywords: technophobia, older adults, latent profile analysis, subjective age

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Authors: Elijah Cavan

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In Major League Sports (MLB, NBA, NHL, NFL), it is the Front Office Staff (FOS) who make decisions about who plays for their respective team. The FOS bear the brunt of the responsibility for acquiring players through drafting, trading and signing players in free agency while typically contesting with maximum roster salary constraints. The players themselves are volatile assets of these teams- their value fluctuates with age and performance. A simple comparison can be made when viewing players as assets. The problem here is similar to that of optimizing your investment portfolio. The The goal is ultimately to maximize your periodic returns while tolerating a fixed risk (degree of uncertainty/ potential loss). Each franchise may value assets differently, and some may only tolerate lower risk levels- these are examples of factors that introduce additional constraints into the model. In this talk, we will detail the mathematical formulation of this problem as a constrained optimization problem- which can be solved with classical machine learning methods but is also well posed as a problem to be solved on quantum computers

Keywords: optimization, financial mathematics, sports analytics, simulated annealing

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Authors: Bo-Gaun Chen, Chiung-Hui Huang, Mei-Ching Chiang, Kuo-Hsing Lee, Chia-Chen Ho, Chin-Ping Huang, Chin-Heng Tien

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It is known that the natural dyeing of cloth results moderate color, but with poor color fastness. This study points out the correlation between the macroscopic color fastness of natural dye to the cotton fiber and the microscopic binding energy of dye molecule to the cellulose. With the additive metallic mordant, the new-formed coordination bond bridges the dye to the fiber surface and thus affects the color fastness as well as the color appearance. The density functional theory (DFT) calculation is therefore used to explore the most possible mechanism during the dyeing process. Finally, the experimental results reflect the strong effect of three different metal ions on the natural dyeing clothes.

Keywords: binding energy, color fastness, density functional theory (DFT), natural dyeing, metallic mordant

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Authors: Sawale Pravin Digambar, G. R. Patil, Shaik Abdul Hussain

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Terminalia arjuna (TA), an important medicinal plant in Indian System of Medicine, is specifically recognized for its recuperative effect on heart ailments. Alcoholic extract of TA (both free and encapsulated) was incorporated into milk to obtain functional dairy beverages. The respective beverages were appropriately flavored and optimized using response surface methodology to improve the sensory appeal. The beverages were evaluated for their compositional, anti-oxidative and various other physico-chemical aspects. Addition of herb (0.3%) extract to flavoured dairy drink (Drink 1) resulted in significantly lowered (p>0.05) HMF content and increased antioxidant activity, total phenol content as compared with control (Control 1). Subsequently, a significant (p>0.05) increase in acidity and sedimentation was also observed. Encapsulated herb (1.8%) incorporated drink (Drink 2) had significantly (P>0.05) enhanced HMF value and decreased antioxidant activity, phenol content as compared to herb added vanilla chocolate dairy drink (Drink 1). It can be concluded that addition of encapsulated TA extract and non-encapsulated TA extract to chocolate dairy drink at 0.3% concentration altered the functional properties vanilla chocolate dairy drink which could be related to the interaction of herb components such as polyphenol with milk protein or maltodextrin/ gum Arabic matrix.

Keywords: Terminalia arjuna, encapsulate, antioxidant activity, physicochemical study

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Authors: M. P. Raju, P. D. Safai, P. S. P. Rao, P. C. S. Devara, C. V. Naidu

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In order to study the Physical and chemical characteristics of aerosols, samples of Total Suspended Particulates (TSP) were collected using a high volume sampler at Pune, a semi-urban location in SW India during March 2009 to February 2010. TSP samples were analyzed for water soluble components like F, Cl, NO3, SO4, NH4, Na, K, Ca, and Mg and acid soluble components like Al, Zn, Fe and Cu using Ion-Chromatograph and Atomic Absorption Spectrometer. Analysis of the data revealed that the monthly mean TSP concentrations varied between 471.3 µg/m3 and 30.5 µg/m3 with an annual mean value of 159.8 µg/m3. TSP concentrations were found to be less during post-monsoon and winter (October through February), compared to those in summer and monsoon (March through September). Anthropogenic activities like vehicular emissions and dust particles originated from urban activities were the major sources for TSP. TSP showed good correlation with all the major ionic components, especially with SO4 (R= 0.62) and NO3 (R= 0.67) indicating the impact of anthropogenic sources over the aerosols at Pune. However, the overall aerosol nature was alkaline (Ave pH = 6.17) mainly due to the neutralizing effects of Ca and NH4. SO4 contributed more (58.8%) to the total acidity as compared to NO3 (41.1%) where as, Ca contributed more (66.5%) to the total alkalinity than NH4 (33.5%). Seasonality of acid soluble component Al, Fe and Cu showed remarkable increase, indicating the dominance of soil source over the man-made activities. Overall study on TSP indicated that aerosols at Pune were mainly affected by the local sources.

Keywords: chemical composition, acidic and neutralization potential, radiative forcing, urban station

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Authors: Belyayev P. E., Makeyeva I. R., Mastyuk D. A., Pigasov E. E.

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Previously, the phrase ”hydrogen safety” was often used in terms of NPP safety. Due to the rise of interest to “green” and, particularly, hydrogen power engineering, the problem of hydrogen safety at industrial facilities has become ever more urgent. In Russia, the industrial production of hydrogen is meant to be performed by placing a chemical engineering plant near NPP, which supplies the plant with the necessary energy. In this approach, the production of hydrogen involves a wide range of combustible gases, such as methane, carbon monoxide, and hydrogen itself. Considering probable incidents, sudden combustible gas outburst into open space with further ignition is less dangerous by itself than ignition of the combustible mixture in the presence of many pipelines, reactor vessels, and any kind of fitting frames. Even ignition of 2100 cubic meters of the hydrogen-air mixture in open space gives velocity and pressure that are much lesser than velocity and pressure in Chapman-Jouguet condition and do not exceed 80 m/s and 6 kPa accordingly. However, the space blockage, the significant change of channel diameter on the way of flame propagation, and the presence of gas suspension lead to significant deflagration acceleration and to its transition into detonation or quasi-detonation. At the same time, process parameters acquired from the experiments at specific experimental facilities are not general, and their application to different facilities can only have a conventional and qualitative character. Yet, conducting deflagration and detonation experimental investigation for each specific industrial facility project in order to determine safe infrastructure unit placement does not seem feasible due to its high cost and hazard, while the conduction of numerical experiments is significantly cheaper and safer. Hence, the development of a numerical method that allows the description of reacting flows in domains with complex geometry seems promising. The base for this method is the modification of Kuropatenko method for calculating shock waves recently developed by authors, which allows using it in Eulerian coordinates. The current work contains the results of the development process. In addition, the comparison of numerical simulation results and experimental series with flame propagation in shock tubes with orifice plates is presented.

Keywords: CFD, reacting flow, DDT, gas explosion

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Authors: Suboohi Nasrin, MHD. Shahid, Abduraheem K.

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India is a tropical country, and it is estimated that biological and abiological agents are the major factors in the destruction and deterioration of archival materials like herbarium, paper, cellulose, bookbinding, etc. Silverfish, German Cockroaches, Termites, Booklice, Tobacco beetle and Carpet beetles are the common insect's pests in the museum, which causes deterioration to collections of museum specimens. Among them, silverfish is one of the most notorious pests and primarily responsible for the deterioration of Archival materials. So far, the investigation has been carried to overcome this existing problem as different management strategies such as chemical insecticides, fungicides, herbicides, nematicides, etc., have been applied. Moreover, Synthetic molecules lead to affect the ecological balance, have a detrimental effects on human health, reduce the beneficial microbial flora and fauna, etc. With a view, numbers of chemicals have been banned and advised not to be used due to their long-lasting persistency in soil ecosystem, water and carcinogenic. That’s why the authors used natural products with biocidal activity, cost-effective and eco-friendly approaches. In this study, various concentrations (30, 60 and 90 ml/L) of clove and lemongrass essential oil at different treatment duration (30, 60, 90 and 120-minutes) were investigated to test its properties as a silverfish repellent and insecticidal effect. The result of two ways ANOVA revealed that the mortality was significantly influenced by oil concentration, treatment duration and interaction between two independent factors was also found significant. The mortality rate increased with increasing the oil concentration in clove oil, and 100 % mortality was recorded in 0.9 ml at 120-minute. It was also observed that the treatment duration has the highest effect on the mortality rate of silverfish. The clove oil had the greatest effect on the silverfish in comparison to lemongrass. While in the case of percentage, repellency of adult silverfish was oil concentration and treatment duration-dependent, i.e., increase in concentration and treatment duration resulted in higher repellency percentage. The clove oil was found more effective, showing maximum repellency of 80.00% at 0.9ml/cm2 (highest) concentration, and in lemongrass highest repellency was observed at 33.4% at 0.9 ml/cm2 concentration in the treated area.

Keywords: adult silverfish, oils, oil concentration, treatment duration, mortality (%) and repellency

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Authors: Daneal Rorke, Gueguim Kana

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The shift towards renewable energy sources for biofuel production has received increasing attention. However, the use and pre-treatment of lignocellulosic material are inundated with the generation of fermentation inhibitors which severely impact the feasibility of bioprocesses. This study reports the profiling of all volatile compounds generated during microwave assisted chemical pre-treatment of sorghum leaves. Furthermore, the optimization of reducing sugar (RS) from microwave assisted acid pre-treatment of sorghum leaves was assessed and gave a coefficient of determination (R2) of 0.76, producing an optimal RS yield of 2.74 g FS/g substrate. The development of an intelligent model to predict volatile compound fractions gave R2 values of up to 0.93 for 21 volatile compounds. Sensitivity analysis revealed that furfural and phenol exhibited high sensitivity to acid concentration, alkali concentration and S:L ratio, while phenol showed high sensitivity to microwave duration and intensity as well. These findings illustrate the potential of using an intelligent model to predict the volatile compound fraction profile of compounds generated during pre-treatment of sorghum leaves in order to establish a more robust and efficient pre-treatment regime for biofuel production.

Keywords: artificial neural networks, fermentation inhibitors, lignocellulosic pre-treatment, sorghum leaves

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Authors: Robin Singh, Mayank Nautiyal, Priyank Jain, Vatasta Koul, Vaibhav Sharma

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The curiosity to investigate the space and its mysteries was dependably the main impetus of human interest, as the particle of livings exists from the "debut de l'Univers" (beginning of the Universe) typified with its few other living things. The sharp drive to uncover the secrets of stars and their unusual deportment was dependably an ignitor of stars investigation. As humankind lives in civilizations and states, stars likewise live in provinces named ‘clusters’. Clusters are separates into 2 composes i.e. open clusters and globular clusters. An open cluster is a gathering of thousand stars that were moulded from a comparable goliath sub-nuclear cloud and for the most part; contain Propulsion I (extremely metal-rich) and Propulsion II (mild metal-rich), where globular clusters are around gathering of more than thirty thousand stars that circles a galactic focus and basically contain Propulsion III (to a great degree metal-poor) stars. Futurology of this paper lies in the spectroscopic investigation of globular clusters like M92 and NGC419 and open clusters like M34 and IC2391 in different color bands by using software like VIREO virtual observatory, Aladin, CMUNIWIN, and MS-Excel. Assessing the outcome Hertzsprung-Russel (HR) diagram with exemplary cosmological models like Einstein model, De Sitter and Planck survey demonstrate for a superior age estimation of respective clusters. Colour-Magnitude Diagram of these clusters was obtained by photometric analysis in g and r bands which further transformed into BV bands which will unravel the idea of stars exhibit in the individual clusters.

Keywords: color magnitude diagram, globular clusters, open clusters, Einstein model

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Authors: Sara Mercedes Barroso Pinzón, Álvaro Jesús Caicedo Castro, Antonio Javer Sánchez Herencia

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In recent years there has been increased academic and industrial research into the development of orthopaedic implants with structural properties and functionality similar to mechanical strength, osseointegration, thermal stability and antibacterial capacity similar to bone structure. Hydroxyapatite has been considered for decades as an ideal biomaterial for bone regeneration due to its chemical and crystallographic similarity to the mineral structure bioapatites. However, the lack of trace elements in the hydroxyapatite structure confers very low mechanical and biological properties. Under this scenario, the objective of the research is the synthesis of hydroxyapatite with Mg from the francolite mineral present in phosphate rock from the central-eastern region of Colombia, taking advantage of the extraction of mineral species as natural precursors of Ca, P and Mg. The minerals present were studied, fluorapatite as the mineral of interest associated with magnesium carbonates and quartz. The chemical and mineralogical composition was determined by X-ray fluorescence (XRF) and X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDX); the optimum conditions were established using the acid leaching mechanism in the wet concentration process. From the products obtained and characterised by XRD, XRF, SEM, FTIR, RAMAN, HAp-Mg biocomposite scaffolds are fabricated and the influence of Mg on morphometric parameters, mechanical and biological properties in the formed materials is evaluated.

Keywords: phosphate rock, hydroxyapatite, magnesium, biomaterials

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