Search results for: evaluation synthesis

Authors: Kashif Jabbar

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Milk adulteration is a global concern, and the current study was plan to synthesize Selenium nanoparticles by green method using plant extract of garlic, Allium Sativum, and to characterize Selenium nanoparticles through different analytical techniques and to apply Selenium nanoparticles as fast and easy technique for the detection of salicylic acid in milk. The highly selective, sensitive, and quick interference green synthesis-based sensing of possible milk adulterants i.e., salicylic acid, has been reported here. Salicylic acid interacts with nanoparticles through strong bonding interactions, hence resulting in an interruption within the formation of selenium nanoparticles which is confirmed by UV-VIS spectroscopy, scanning electron microscopy, and x-ray diffraction. This interaction in the synthesis of nanoparticles resulted in transmittance wavelength that decrease with the increasing amount of salicylic acid, showing strong binding of selenium nanoparticles with adulterant, thereby permitting in-situ fast detection of salicylic acid from milk having a limit of detection at 10-3 mol and linear coefficient correlation of 0.9907. Conclusively, it can be draw that colloidal selenium could be synthesize successfully by garlic extract in order to serve as a probe for fast and cheap testing of milk adulteration.

Keywords: adulteration, green synthesis, selenium nanoparticles, salicylic acid, aggregation

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Authors: Jimmy L. Caldoza, Erlito M. Albina

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Information Systems are increasingly being used to monitor and assess government projects as well as improve transparency and combat corruption. With reference to existing information systems relevant to monitoring and evaluation systems adopted by various government agencies from other countries, this research paper aims to help the Philippine government, particularly the Department of Agriculture, in assessing the impact of their programs and projects on their target beneficiaries through the development of the web-based Monitoring and Evaluation Information System with the application of a short messaging system (sms) technology.

Keywords: monitoring and evaluation system, web-based information system, short messaging system technology, database structure and management

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Authors: Mamdouh Abu-Zaied, K. Mohamed, Galal A. Nawwar

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Microwave-assisted synthesis of a new class of pyridine or purine thioglycoside analogs from readily available starting materials has been described. The key step of this protocol is the formation of sodium pyridine 4-thiolate 4 and pyrazolo[1,5-a]pyrimidine-7-thiolate 5 derivatives via condensation of 1 with cyanoacetanilide derivative 2 or 5-aminopyrazole derivative 3 respectively under microwave irradiation, followed by coupling with halo sugars to give the corresponding pyridine and purine thioglycoside analogs. The obtained compounds were evaluated in vitro against lung (A549), colon (HCT116), liver (HEPG2), and MCF-7(breast) cancer cell lines. Some of them recorded promising activities.

Keywords: antitumor, cyclic sugars, pyrazoles, pyridines, pyrimidines, purines, thioglycosides

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Authors: Moataz Medhat, Essam Khalil, Hatem Haridy

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The present study investigates the flame structure of turbulent diffusion flame of synthesis fuel in a 300 KW swirl-stabilized burner. The three-dimensional model adopts a realizable k-ε turbulent scheme interacting with two-dimensional PDF combustion scheme by applying flamelet concept. The study reveals more characteristics on turbulent diffusion flame of synthesis fuel when changing the inlet air swirl number and the burner quarl angle. Moreover, it concerns with studying the effect of flue gas recirculation and staging with taking radiation effect into consideration. The comparison with natural gas was investigated. The study showed two zones of recirculation, the primary one is at the center of the furnace, and the location of the secondary one varies by changing the quarl angle of the burner. The results revealed an increase in temperature in the external recirculation zone as a result of increasing the swirl number of the inlet air stream. Also, it was found that recirculating part of the combustion products decreases pollutants formation especially nitrogen monoxide. The predicted results showed a great agreement when compared with the experiments.

Keywords: gas turbine, syngas, analysis, recirculation

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Authors: Norah Al Hokbany, Ibrahim Al Jammaz, Basem Al Otaibi, Yousif Al Malki, Subhani M. Okarvi

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Objective: The folate receptor is over-expressed in a wide variety of human tumors. Conjugates of folate have been shown to be selectively taken up by tumor cells via the folate receptor. In an attempt to develop new folate radiotracers with favorable biochemical properties for detecting folate receptor-positive cancers. Methods: we synthesized ⁶⁴Cu-NOTA- and ⁶⁴Cu-NOTAM-folate conjugates using a straightforward and simple one-step reaction. Radiochemical yields were greater than 95% (decay-corrected) with a total synthesis time of less than 20 min. Results: Radiochemical purities were always greater than 98% without high-performance liquid chromatography (HPLC) purification. These synthetic approaches hold considerable promise as a rapid and simple method for ⁶⁴Cu-folate conjugate preparation with high radiochemical yield in a short synthesis time. In vitro tests on the KB cell line showed that significant amounts of the radio conjugates were associated with cell fractions. Bio-distribution studies in nude mice bearing human KB xenografts demonstrated a significant tumor uptake and favorable bio-distribution profile for ⁶⁴Cu-NOTA- and ⁶⁴Cu-NOTAM-folate conjugate. The uptake in the tumors was blocked by the excess injection of folic acid, suggesting a receptor-mediated process. Conclusion: These results demonstrate that the ⁶⁴Cu-NOTAM-folate conjugate may be useful as a molecular probe for the detection and staging of folate receptor-positive cancers, such as ovarian cancer and their metastasis, as well as monitoring tumor response to treatment.

Keywords: folate, receptor, tumor imaging, ⁶⁴Cu-NOTA-folate, PET

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Authors: Abdinasir Mohamed, Ashraf El-Hamalawi, Steven Yeomans, Matthew Frost, Andy Connell

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The evaluation and selection of appropriate software solutions to meet with an organisation’s inherent business requirements can be a problematic software engineering process that if done incorrectly can have a significant, costly and adverse effect on the business and its processes. The aim of this paper is to show the process and evaluation criteria followed to select the right engineering solution for the identified business requirement. The research adopted an action research method within an organisation in the oil and gas industry, which required a solution suitable for conducting stress analysis for soil-pipeline interaction analysis (SPIA). Through the use of the presented software selection and evaluation approach, to capture and measure key requirements, it was possible to determine a suitable software for the organisation. This paper investigates methodologies for selecting software packages, software evaluation techniques, and software evaluation criteria in evaluating software packages before providing an explanation of the developed methodology adopted. The key findings of the study are: (1) that there is a need to create a framework for software selection methodologies, (2) there are no universal selection criteria in the engineering industry, and (3) there is a need to validate the findings by creating an application based on the evaluation technique and evaluation criteria for selecting software packages for the engineering industry. The findings of the study are offered to support organisations in the oil and gas sector improve software selection methodologies for SPIA.

Keywords: software evaluation, end user programs, soil pipeline analysis, software selection

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Authors: M. Kalyan Raj, Vinay Umesh Rao, M. Sudhakar

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The work focuses on the development of a directly compressible controlled release co-processed excipient using melt granulation technique. Erodible wax matrix systems are fabricated in which three different types of waxes are co processed separately with Maize starch in different ratios by melt granulation. The resultant free flowing powder is characterized by FTIR, NMR, Mass spectrophotometer and gel permeation chromatography. Also, controlled release tablets of Aripiprazole were formulated and dissolution profile was compared with that of the target product profile given in Zysis patent (Patent no. 20100004262) for Aripiprazole once a week formulation.

Keywords: co-processing, hot melt extrusion, direct compression, maize starch, stearic acid, aripiprazole

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Authors: F. Ghafoori-Najafabadi, R. Sarraf-Mamoory, N. Riahi-Noori

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In this study, nanocrystalline CeO2-MgO powders were synthesized by combustion reactions using citric acid, ethylene glycol, and glycine as different fuels and nitrate as an oxidant. The powders obtained with different kinds of fuels are characterized by scanning electron microscopy (SEM) and X-ray diffraction (XRD). The size and morphology of the particles and the extent of agglomeration in the powders were studied using SEM analysis. It is observed that the variation of fuel has an intense influence on the particle size and morphology of the resulting powder. X-ray diffraction revealed that any combined phases were observed, and that MgO and CeO2 phases were formed, separately.

Keywords: nanoparticle, combustion synthesis, CeO2-MgO, nano-powder

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Authors: Ali Rabah

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This research received no grant or financial support from any public, commercial, or none governmental agency. The author conducted this work as part of his normal research activities as a professor of Chemical Engineering at the University of Khartoum, Sudan. Abstract While fossil oil reserves have been receding, the demand for diesel and gasoline has been growing. In recent years, syngas of biomass origin has been emerging as a viable feedstock for Fischer-Tropsch (FT) synthesis, a process for manufacturing synthetic gasoline and diesel. This paper reports the optimization of syngas quality to match FT synthesis requirements. The optimization model maximizes the thermal efficiency under the constraint of H2/CO≥2.0 and operating conditions of equivalent ratio (0 ≤ ER ≤ 1.0), steam to biomass ratio (0 ≤ SB ≤ 5), and gasification temperature (500 °C ≤ Tg ≤ 1300 °C). The optimization model is executed using the optimization section of the Model Analysis Tools of the Aspen Plus simulator. The model is tested using eleven (11) types of MSW. The optimum operating conditions under which the objective function and the constraint are satisfied are ER=0, SB=0.66-1.22, and Tg=679 - 763°C. Under the optimum operating conditions, the syngas quality is H2=52.38 - 58.67-mole percent, LHV=12.55 - 17.15 MJ/kg, N2=0.38 - 2.33-mole percent, and H2/CO≥2.15. The generalized optimization model reported could be extended to any other type of biomass and coal. Keywords: MSW, Syngas, Optimization, Fischer-Tropsch.

Keywords: syngas, MSW, optimization, Fisher-Tropsh

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Authors: Xiang Zheng, Zhaoping Zhong

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In this study, Aspen Plus was used to simulate the whole process of biomass conversion to liquid fuel in different ways, and the main results of material and energy flow were obtained. The process optimization and evaluation were carried out on the four routes of cellulosic biomass pyrolysis gasification low-carbon olefin synthesis olefin oligomerization, biomass water pyrolysis and polymerization to jet fuel, biomass fermentation to ethanol, and biomass pyrolysis to liquid fuel. The environmental impacts of three biomass species (poplar wood, corn stover, and rice husk) were compared by the gasification synthesis pathway. The global warming potential, acidification potential, and eutrophication potential of the three biomasses were the same as those of rice husk > poplar wood > corn stover. In terms of human health hazard potential and solid waste potential, the results were poplar > rice husk > corn stover. In the popular pathway, 100 kg of poplar biomass was input to obtain 11.9 kg of aviation coal fraction and 6.3 kg of gasoline fraction. The energy conversion rate of the system was 31.6% when the output product energy included only the aviation coal product. In the basic process of hydrothermal depolymerization process, 14.41 kg aviation kerosene was produced per 100 kg biomass. The energy conversion rate of the basic process was 33.09%, which can be increased to 38.47% after the optimal utilization of lignin gasification and steam reforming for hydrogen production. The total exergy efficiency of the system increased from 30.48% to 34.43% after optimization, and the exergy loss mainly came from the concentration of precursor dilute solution. Global warming potential in environmental impact is mostly affected by the production process. Poplar wood was used as raw material in the process of ethanol production from cellulosic biomass. The simulation results showed that 827.4 kg of pretreatment mixture, 450.6 kg of fermentation broth, and 24.8 kg of ethanol were produced per 100 kg of biomass. The power output of boiler combustion reached 94.1 MJ, the unit power consumption in the process was 174.9 MJ, and the energy conversion rate was 33.5%. The environmental impact was mainly concentrated in the production process and agricultural processes. On the basis of the original biomass pyrolysis to liquid fuel, the enzymatic hydrolysis lignin residue produced by cellulose fermentation to produce ethanol was used as the pyrolysis raw material, and the fermentation and pyrolysis processes were coupled. In the coupled process, 24.8 kg ethanol and 4.78 kg upgraded liquid fuel were produced per 100 kg biomass with an energy conversion rate of 35.13%.

Keywords: biomass conversion, biofuel, process optimization, life cycle assessment

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Authors: Elke Meex, Elke Knapen, Griet Verbeeck

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The focus of sustainable building is gradually shifting from energy efficiency towards the more global environmental impact of building design during all life-cycle stages. In this context, many tools have been developed that use a LCA-approach to assess the environmental impact on a whole building level. Since the building design strongly influences the final environmental performance and the architect plays a key role in the design process, it is important that these tools are adapted to his work method and support the decision making from the early design phase on. Therefore, a comparative evaluation of the degree of architect-friendliness of some LCA tools on building level is made, based on an evaluation framework specifically developed for the architect’s viewpoint. In order to allow comparison of the results, a reference building has been designed, documented for different design phases and entered in all software tools. The evaluation according to the framework shows that the existing tools are not very architect-friendly. Suggestions for improvement are formulated.

Keywords: architect-friendliness, design supportive value, evaluation framework, tool comparison

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Authors: Aicha Bensouici, Assia Mili, Naouel Rdjem, Nacera Baali

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Copper oxide decorated reduced graphene oxide (GO) was obtained successfully using two steps route synthesis was used. Firstly, graphene oxide was obtained using a modified Hummers method by excluding sodium nitrate from starting materials. After washing-centrifugation routine pristine GO was decorated by copper oxide using a refluxation technique at 120°C during 2h, and an equal amount of GO and copper acetate was used. Three CuO-rGO nanocomposite samples types were obtained at 30min, 24h, and 7 day stirring time. TAC results show dose dependent behavior of CuO-rGO and confirm no influence of stirring time on antioxidant properties, 30min is considered as an optimal stirring condition.

Keywords: copper oxide, reduced graphene oxide, TAC, GO

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Authors: Rotimi Larayetana, Yahaya Abdulrazaq, Oladunni O. Falola, Abayomi Ajayi

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The aim of this study was to perform green synthesis of silver nanoparticles (AgNPs) with the aqueous extract of Moringa oleifera Lam (M oleifera) leaves and determine its effects on benign prostatic hyperplasia in Wistar rats. Silver nitrate (AgNO₃) solution was reduced using the aqueous extract of Moringa oleifera Lam leaves, the resultant biogenic AgNPs were characterized by Fourier transformed infrared spectrophotometric, SEM, TEM and X-ray diffraction analysis. Animal experiments involved thirty (30) adult male Wistar rats randomly divided into five groups (A to E; n ₌ 5). Group A received only subcutaneous injection of olive oil daily while the other groups got 3 mg/kg/daily of testosterone propionate (TP) subcutaneously plus 50 mg/kg/daily of AgNPs intraperitoneally (B), 3 mg/kg/daily of TP plus 25 mg/kg/daily of AgNPs (C), 3 mg/kg/daily of TP only (D) and 25 mg/kg/daily of AgNPs only (E). The animals were sacrificed after 14 days, and the prostate gland, liver, and kidney were processed for histological analysis. Phytochemical screening and GC-MS analysis were performed to determine the composition of the M oleifera extract used. Biogenic AgNPs with an average diameter of 23 nm were synthesized. Biogenic AgNPs ameliorated hormone-induced prostate enlargement, and the inhibition of prostatic hypertrophy could be due to the presence of a significant amount of plant fatty acids and phytosterols in the aqueous extract of M oleifera extract. However, the administration of biogenic AgNPs at higher doses impacted negatively on the cytoarchitecture of the liver. Green synthesis of AgNPs with the aqueous extract of Moringa oleifera might be beneficial for the treatment of BPH.

Keywords: benign prostatic hyperplasia, biogenic synthesis, Moringa oleifera, silver nanoparticles, testosterone

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Authors: Mohamed Idris S. Abozaed, Suliman Mohamed Elrajoubi

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Researches and concerns in power quality gained significant momentum in the field of power electronics systems over the last two decades globally. This sudden increase in the number of concerns over power quality problems is a result of the huge increase in the use of non-linear loads. In this paper, power quality evaluation of some distribution networks at Misurata - Libya has been done using a power quality and energy analyzer (Fluke 437 Series II). The results of this evaluation are used to minimize the problems of power quality. The analysis shows the main power quality problems that exist and the level of awareness of power quality issues with the aim of generating a start point which can be used as guidelines for researchers and end users in the field of power systems.

Keywords: power quality disturbances, power quality evaluation, statistical analysis, electrical distribution networks

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Authors: Georgi Bebrov, Rozalina Dimova

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In the field of quantum secure communication, there is no evaluation that characterizes quantum secure communication (QSC) protocols in a complete, general manner. The current paper addresses the problem concerning the lack of such an evaluation for QSC protocols by introducing an optimality evaluation, which is expressed as the average over the three main parameters of QSC protocols: efficiency, security, and practicality. For the efficiency evaluation, the common expression of this parameter is used, which incorporates all the classical and quantum resources (bits and qubits) utilized for transferring a certain amount of information (bits) in a secure manner. By using criteria approach whether or not certain criteria are met, an expression for the practicality evaluation is presented, which accounts for the complexity of the QSC practical realization. Based on the error rates that the common quantum attacks (Measurement and resend, Intercept and resend, probe attack, and entanglement swapping attack) induce, the security evaluation for a QSC protocol is proposed as the minimum function taken over the error rates of the mentioned quantum attacks. For the sake of clarity, an example is presented in order to show how the optimality is calculated.

Keywords: quantum cryptography, quantum secure communcation, quantum secure direct communcation security, quantum secure direct communcation efficiency, quantum secure direct communcation practicality

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Authors: Zheming Cao

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Control loops are the most important components in the wind turbine system. Product quality, operation safety, and the economic performance are directly or indirectly connected to the performance of control systems. This paper proposed a performance evaluation method based on minimum-variance for wind turbine control system. This method can be applied on PID controller for pitch control system in the wind turbine. The good performance result demonstrated in the paper was achieved by retuning and optimizing the controller settings based on the evaluation result. The concepts presented in this paper are illustrated with the actual data of the industrial wind farm.

Keywords: control performance, evaluation, minimum-variance, wind turbine

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Authors: Ines Gasmi, Salima Smiti, Makram Soui, Khaled Ghedira

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Credit risk is considered as one of the important issues for financial institutions. It provokes great losses for banks. To this objective, numerous methods for credit risk evaluation have been proposed. Many evaluation methods are black box models that cannot adequately reveal information hidden in the data. However, several works have focused on building transparent rules-based models. For credit risk assessment, generated rules must be not only highly accurate, but also highly interpretable. In this paper, we aim to build both, an accurate and transparent credit risk evaluation model which proposes a set of classification rules. In fact, we consider the credit risk evaluation as an optimization problem which uses a genetic programming (GP) algorithm, where the goal is to maximize the accuracy of generated rules. We evaluate our proposed approach on the base of German and Australian credit datasets. We compared our finding with some existing works; the result shows that the proposed GP outperforms the other models.

Keywords: credit risk assessment, rule generation, genetic programming, feature selection

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Authors: V. E. Messerle, O. A. Lavrichshev, A. B. Ustimenko

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Currently and in the foreseeable future (up to 2100), the global economy is oriented to the use of organic fuel, mostly, solid fuels, the share of which constitutes 40% in the generation of electric power. Therefore, the development of technologies for their effective and environmentally friendly application represents a priority problem nowadays. This work presents the results of thermodynamic and experimental investigations of plasma technology for processing of low-grade coals. The use of this technology for producing target products (synthesis gas, hydrogen, technical carbon, and valuable components of mineral mass of coals) meets the modern environmental and economic requirements applied to basic industrial sectors. The plasma technology of coal processing for the production of synthesis gas from the coal organic mass (COM) and valuable components from coal mineral mass (CMM) is highly promising. Its essence is heating the coal dust by reducing electric arc plasma to the complete gasification temperature, when the COM converts into synthesis gas, free from particles of ash, nitrogen oxides and sulfur. At the same time, oxides of the CMM are reduced by the carbon residue, producing valuable components, such as technical silicon, ferrosilicon, aluminum and carbon silicon, as well as microelements of rare metals, such as uranium, molybdenum, vanadium, titanium. Thermodynamic analysis of the process was made using a versatile computation program TERRA. Calculations were carried out in the temperature range 300 - 4000 K and a pressure of 0.1 MPa. Bituminous coal with the ash content of 40% and the heating value 16,632 kJ/kg was taken for the investigation. The gaseous phase of coal processing products includes, basically, a synthesis gas with a concentration of up to 99 vol.% at 1500 K. CMM components completely converts from the condensed phase into the gaseous phase at a temperature above 2600 K. At temperatures above 3000 K, the gaseous phase includes, basically, Si, Al, Ca, Fe, Na, and compounds of SiO, SiH, AlH, and SiS. The latter compounds dissociate into relevant elements with increasing temperature. Complex coal conversion for the production of synthesis gas from COM and valuable components from CMM was investigated using a versatile experimental plant the main element of which was plug and flow plasma reactor. The material and thermal balances helped to find the integral indicators for the process. Plasma-steam gasification of the low-grade coal with CMM processing gave the synthesis gas yield 95.2%, the carbon gasification 92.3%, and coal desulfurization 95.2%. The reduced material of the CMM was found in the slag in the form of ferrosilicon as well as silicon and iron carbides. The maximum reduction of the CMM oxides was observed in the slag from the walls of the plasma reactor in the areas with maximum temperatures, reaching 47%. The thusly produced synthesis gas can be used for synthesis of methanol, or as a high-calorific reducing gas instead of blast-furnace coke as well as power gas for thermal power plants. Reduced material of CMM can be used in metallurgy.

Keywords: gasification, mineral mass, organic mass, plasma, processing, solid fuel, synthesis gas, valuable components

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Authors: Hassan Bohra, Mingfeng Wang

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Conjugated porous polymers (CPPs) are amorphous, insoluble and highly robust organic semiconductors that have been largely synthesized by traditional transition-metal catalyzed reactions. The distinguishing feature of CPP materials is that they combine microporosity and high surface areas with extended conjugation, making them ideal for versatile applications such as separation, catalysis and energy storage. By applying a modular approach to synthesis, chemical and electronic properties of CPPs can be tailored for specific applications making these materials economical alternatives to inorganic semiconductors. Direct arylation - an environmentally benign alternative to traditional polymerization reactions – is one such reaction that extensively over the last decade for the synthesis of linear p-conjugated polymers. In this report, we present the synthesis and characterization of a new series of robust conjugated porous polymers synthesized by facile direct arylation polymerization of thiophene-flanked acceptor building blocks with multi-brominated aryls with different geometries. We observed that the porosities and morphologies of the polymers are determined by the chemical structure of the aryl bromide used. Moreover, good control of the optical bandgap in the range 2.53 - 1.3 eV could be obtained by using different building blocks. Structure-property relationships demonstrated in this study suggest that direct arylation polymerization is an attractive synthetic tool for the rational design of porous organic materials with tunable photo-physical properties for applications in photocatalysis, energy storage and conversion.

Keywords: direct arylation, conjugated porous polymers, triazine, photocatalysis

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Authors: Artem A. Krylov

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Instrumental seismological researches in water areas are complicated and expensive, that leads to the lack of strong motion records in most offshore regions. In the same time the number of offshore industrial infrastructure objects, such as oil rigs, subsea pipelines, is constantly increasing. The empirical Green’s function technique proved to be very effective for accelerograms synthesis under the conditions of poorly described seismic wave propagation medium. But the selection of suitable small earthquake record in offshore regions as an empirical Green’s function is a problem because of short seafloor instrumental seismological investigation results usually with weak micro-earthquakes recordings. An approach based on moving average smoothing in the frequency domain is presented for preliminary processing of weak micro-earthquake records before using it as empirical Green’s function. The method results in significant waveform correction for modeled event. The case study for 2009 L’Aquila earthquake was used to demonstrate the suitability of the method. This work was supported by the Russian Foundation of Basic Research (project № 18-35-00474 mol_a).

Keywords: accelerogram synthesis, empirical Green's function, marine seismology, microearthquakes

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Authors: Mingbao Chen

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After Rio+20, the blue economy rises all over the world, and it has become the focus field of national development. At present, the blue economy has become a new growth point in the field of global economy and the direction of the development of ‘green’ in the ocean. However, in fact, the key factors affecting the development of the blue economy have not been explored in depth, and the development policies and performance of the blue economy have not been scientifically evaluated. This cannot provide useful guidance for the development of the blue economy. Therefore, it is urgent to establish a quantitative evaluation framework to measure the performance of the blue economic development. Based on the full understanding of the connotation and elements of the blue economy, and studying the literature, this article has built an universality and operability evaluation index system, including ecological environment, social justice, sustainable growth, policy measures, and so on. And this article also established a sound evaluation framework of blue economic development performance. At the same time, this article takes China as a sample to test the framework of the adaptability, and to assess the performance of China's blue economic.

Keywords: Blue economy, development performance, evaluation framework, assess method

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Authors: Yalçın Kılıç, İbrahim Kani

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The conversion of hydrocarbons to carbonyl compounds by oxidation reaction is one of the most important reactions in the synthesis of fine chemicals. As a result of the oxidation of hydrocarbons containing aliphatic sp3-CH groups in their structures, aldehydes, ketones or carboxylic acids can be obtained. In this study, OSSO-type 2,2'-[1,4-butanedylbis(thio)]bis-benzoic acid (tsabutH2) ligand and [Zn(µ-tsabut)(phen)]n complex (where phen = 1,10-phenantroline) were synthesized and their structures were characterized by single crystal x-ray diffraction method. The catalytic efficiency of the complex in the catalytic oxidation studies of organic compounds such as cyclohexane, ethylbenzene, diphenylmethane, and p-xylene containing sp3-C-H in its structure was investigated.

Keywords: metal complex, OSSO-type ligand, catalysis, oxidation

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Authors: Jenaidullah Batur, Sebghatullah Mudaber

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Currently, there is a list of catalysts that can reduce CO₂ to valuable chemicals and fuels, among them metal oxides such as TiO₂, known as promising photocatalysts to produce hydrogen and CO unless they are at an earlier age and still need to promote activity to able for produce fabricated values. Herein, in this work, we provided a novel, facile and eco-friendly synthesis strategy to synthesize more effective TiO₂-organic composite materials to selectively reduce CO₂ to CO. In this experiment, commercial nanocrystalline TiO₂ and saccharin with Li (LiBr, LiCl) were synthesized using the facile physical grinding in the motel pestle for 10 minutes, then added 10 mL of deionized water (18.2 megaohms) on the 300mg composite catalyst before samples moving for hydrothermal heating for 24 hours at 80 C in the oven. Compared with nanosized TiO₂, the new TiO₂-Sac-Li indeed displays a high CO generation rate of 70.83 μmol/g/h, which is 7 times higher than TiO₂, which shows enhancement in CO₂ reduction and an apparent improvement in charge carrier dynamic. The CO₂ reduction process at the gas-solid interface on TiO₂-Sac-Li composite semiconductors is investigated by functional calculations and several characterization methods. The results indicate that CO₂ can be easily activated by the TiO₂-Sac-Li atoms on the surface. This work innovatively investigates CO₂ reduction in novel composite materials and helps to broaden the applications of composite materials semiconductors.

Keywords: green chemistry, green synthesis, TiO₂, photocatalyst

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Authors: Junie B. Billones, Maria Constancia O. Carrillo, Voltaire G. Organo, Stephani Joy Y. Macalino, Inno A. Emnacen, Jamie Bernadette A. Sy

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One of the major interferences in the Philippines’ tuberculosis control program is the widespread prevalence of Mtb strains that are resistant to known drugs, such as the MDR-TB (Multi Drug Resistant Tuberculosis) and XDR-TB (Extensively Drug Resistant Tuberculosis). Therefore, there is a pressing need to search for novel Mtb drug targets in order to be able to combat these drug resistant strains. The enzyme 7,8-diaminopelargonic acid aminotransferase enzyme, or more commonly known as BioA, is one such ideal target, as it is known that humans do not possess this enzyme. BioA primarily plays a key role in Mtb’s lipid biosynthesis pathway; more specifically in the synthesis of the enzyme cofactor biotin. In this study, structure-based pharmacophore screening, docking, and ADMET evaluation of compounds obtained from the DrugBank chemical database were performed against the MtbBioA enzyme. Results of the screening, docking, ADMET, and TOPKAT calculations revealed that out of the 6,516 compounds in the library, only 7 compounds indicated more favorable binding energies as compared to the enzyme’s known inhibitor, amiclenomycin (ACM), as well as good solubility and toxicity properties. Moreover, out of these 7 compounds, Molecule 6 exhibited the best solubility and toxicity properties. In the future, these lead compounds may then be subjected to bioactivity assays in vitro or in vivo for further evaluation of its therapeutic efficacy.

Keywords: 7, 8-diaminopelargonic acid aminotransferase, BioA, pharmacophore, molecular docking, ADMET, TOPKAT

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Authors: Sarah Triller, Ferdi Schüth

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The challenges encountered in upscaling the mechanochemical synthesis of high surface area α-alumina are investigated in this study. After lab-scale experiments in shaker mills and planetary ball mills, the optimization of reaction parameters of the conversion in the smallest vessel of a scalable mill, named Simoloyer, was developed. Furthermore, the future perspectives by scaling up the conversion in several steps are described. Since abrasion from the steel equipment can be problematic, the process was transferred to a ceramically lined mill, which solved the contamination problem. The recovered alpha-alumina shows a high specific surface area in all investigated scales.

Keywords: mechanochemistry, scale-up, ball milling, ceramic lining

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Authors: Steadyman Chikumba, Vasudeva Vereedhi Rao

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This paper reports on the synthesis of FeCrCoNiZn and its characterisation using SEM and nanoindentation. The high entropy alloy FeCrCoNiZn was fabricated using spark plasma sintering at a temperature of 1100ᵒC from powders mixed for 9 hours. The powders mixture was equimolar, and the resultant microstructure had a single crystalline structure when studied under SEM. Several nano Vickers hardness measurements were taken on a polished surface etched by Nital solution. The hardness ranged from 711 Vickers to a maximum of 1773.2. The alloy FeCrCoNiZn showed a nano hardness of 1070 Vickers and a modulus of elasticity of 460.4 MPa. The process managed to fabricate a very hard material that can find applications where wear resistance is desired.

Keywords: high entropy alloy, FeCrVNiZn, nanohardness, SEM

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Authors: Piotr Kunecki, Magdalena Wdowin

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The fly ash produced as waste in the process of conventional coal combustion was utilized in the hybrid synthesis of zeolites X and A from Faujasite (FAU) and Linde Type A (LTA) frameworks, respectively. The applied synthesis method included modification together with the crystallization stage. The sorbent modification was performed by introducing metals into the zeolite structure in order to create an ability to form stable bonds with elemental mercury (Hg0). The use of waste in the form of fly ash as a source of silicon and aluminum, as well as the proposed method of zeolite synthesis, fits the circular economy idea. The effect of zeolite modification on Hg0 removal from a simulated gas stream was studied empirically using prototype installation designed to test the effectiveness of sorption by solid-state sorbents. Both derived zeolites X and A modified with silver nitrate revealed significant mercury uptake during a 150-minute sorption experiment. The amount of elemental mercury removed in the experiment ranged from 5.69 to 6.01 µg Hg0/1g of sorbent for zeolites X and from 4.47 to 4.86 µg Hg0/1g of sorbent for zeolites A. In order to confirm the effectiveness of the sorbents towards mercury bonding, the possible re-emission effect was tested as well. Derived zeolites X and A did not show mercury re-emission after the sorption process, which confirms the stable bonding of Hg0 in the structure of synthesized zeolites. The proposed hybrid synthesis method possesses the potential to be implemented for both fly ash utilization as well as the time and energy-saving production of aluminosilicate, porous materials with high Hg0 removal efficiency. This research was supported by National Science Centre, Poland, grant no 2021/41/N/ST5/03214.

Keywords: fly ash, synthetic zeolites, elemental mercury removal, sorption, simulated gas stream

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Authors: Mudawi M. Nour

Abstract:

Background: Now a days, the multidisciplinary scientific research conception in the field of nanotechnology has witnessed development with regard to the numerous applications and synthesis of nanomaterials. Objective: The current investigation has been conducted with the main focus on the green synthesis of silver nanoparticles from the leaves of Salvadora persica and its antibacterial activity against MDR pathogens E. coli and S. aureus. Methodology: Silver nanoparticles (AgNPs) were prepared after addition of aqueous extract of Salvadora persica leaves. The UV-Vis spectrophotometer, Transmission Electron Microscopy (TEM), zeta potential and Scanning Electron Microscopy (SEM) were employed to detect the particle size and morphology, besides Fourier transform infra-red spectrometer (FTIR) analysis was performed to determine the capping and stabilizing agents in the extract. Antibacterial assay for the biogenic AgNPs was conducted against E. coli and S. aureus. Results: Color change of the mixture from yellow to dark brown is the first indication to AgNPs formation. Furthermore, 420 nm was the peak value for UV-Vis spectroscopy absorption of the mixture. Besides, TEM and SEM micrographs showed wide variability in the diameter of smaller NPs aggregated together with spherical shapes, and zeta sizer showed about 153.3 nm as an average size of nanoparticles. Microbial suppression was noticed for the tested microorganisms. Furthermore, with the help of FTIR analysis, the biomolecules that act as capping and stabilizing agents of AgNPs are proteins and phenols present in the plant extract. Conclusion: Salvadora persica leaves extract act as a reducing and stabilizing agent for the synthesis of AgNPs, keeping its ability to suppress the MDR pathogen.

Keywords: green synthesis, FTIR, MDR pathogen, salvadora persica

Procedia PDF Downloads 43

Authors: Tareq Aljaber

Abstract:

The number of mobile health apps is growing at a fast frequency as it's nearly doubled in a year between 2015 and 2016. Though, there is a lack of an effective evaluation framework to verify the usability and reliability of mobile phone health education applications which would help saving time and effort for the numerous user groups. This abstract describing a framework for evaluating mobile applications in specifically mobile health education applications, along with a guidance select tool to assist different users to select the most suitable mobile health education apps. The effective framework outcome is intended to meet the requirements and needs of the different stakeholder groups additionally to enhancing the development of mobile health education applications with software engineering approaches, by producing new and more effective techniques to evaluate such software. This abstract highlights the significance and consequences of mobile health education apps, before focusing the light on the required to create an effective evaluation framework for these apps. An explanation of the effective evaluation framework is going to be delivered in the abstract, beside with some specific evaluation metrics: an efficient hybrid of selected heuristic evaluation (HE) and usability evaluation (UE) metrics to enable the determination of the usefulness and usability of health education mobile apps. Moreover, an explanation of the qualitative and quantitative outcomes for the effective evaluation framework was accomplished using Epocrates mobile phone app in addition to some other mobile phone apps. This proposed framework-An Evaluation Framework for Mobile Health Education Apps-consists of a hybrid of 5 metrics designated from a larger set in usability evaluation and heuristic evaluation, illuminated grounded on 15 unstructured interviews from software developers (SD), health professionals (HP) and patients (P). These five metrics corresponding to explicit facets of usability recognised through a requirements analysis of typical stakeholders of mobile health apps. These five hybrid selected metrics were scattered across 24 specific questionnaire questions, which are available on request from first author. This questionnaire has been sent to 81 participants distributed in three sets of stakeholders from software developers (SD), health professionals (HP) and patients/general users (P/GU) on the purpose of ranking three sets of mobile health education applications. Finally, the outcomes from the questionnaire data helped us to approach our aims which are finding the profile for different stakeholders, finding the profile for different mobile health educations application packages, ranking different mobile health education application and guide us to build the select guidance too which is apart from the Evaluation Framework for Mobile Health Education Apps.

Keywords: evaluation framework, heuristic evaluation, usability evaluation, metrics

Procedia PDF Downloads 371

Authors: Justice Zakhele Msomi

Abstract:

Nanoparticles of CdFe2O4 with particle size of about 10 nm have been synthesized by high energy ball milling and co-precipitation processes. The synthesis route appears to have some effects on the properties. The compounds have been characterized by X-ray diffraction, Fourier Transform Infrared (FTIR), transmission electron microscopy (TEM), Mössbauer and magnetization measurements. The XRD pattern of CdFe2O4 provides information about single-phase formation of spinel structure with cubic symmetry. The FTIR measurements between 400 and 4000 cm-1 indicate intrinsic cation vibration of the spinel structure. The Mössbauer spectra were recorded at 4 K and 300 K. The hyperfine fields appear to be highly sensitive on particle size. The evolution of the properties as a function of particle size is also presented.

Keywords: ferrite, nanoparticles, magnetization, Mössbauer

Procedia PDF Downloads 370