Search results for: immobilized metal affinity chromatography (IMAC)

Authors: Hamid Hossein Khezri, Afsaneh Javdani-Mallak

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Fast inhibitory neurotransmission in the mammalian nervous system is largely mediated by GABAA receptors, chloride-selective members of the superfamily of pentameric Cys-loop receptors. Cannabidiol (CBD) is one of the members of cannabinoid compounds found in cannabis. CBD and Cannabinol (CBN), as the other extract of plant Cannabis were able to reduce myofascial pain in rats with immunosuppressive and anti-inflammatory activities. In this study, we accomplished protein-protein BLAST, and the sequence was found to be for Gamma-aminobutyric acid receptor subunit alpha-1 (GBRA1) chain A and its 3D structure was subsequently downloaded from Protein Data Bank. The structures of the ligands, cannabinol, and cannabidiol, were obtained from PubChem. After the necessary process of the obtained files, AutoDock Vina was used to perform molecular docking. Docking between the ligands and GBRA1 chain A revealed that cannabinol has a higher affinity to GBRA1 (binding energy = -7.5 kcal/mol) compared to cannabidiol (binding energy = -6.5 kcal/mol). Furthermore, cannabinol seems to be able to interact with 10 residues of the protein, out of which 3 are in the neurotransmitter-gated ion-channel transmembrane domain of GBRA1, whereas cannabidiol interacts with two other residues. Although the results of this project do not indicate the activating /or inhibitory capability of the studied compounds, it suggests that cannabinol can act as a relatively strong ligand for GBRA1.

Keywords: protein-ligand docking, cannabinol, cannabidiol, GBRA1

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Authors: Moataz Elsawy, Hala F. Naguib, Hilda A. Aziz, Eid A. Ismail, Labiba I. Hussein, Maher Z. Elsabee

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Jojoba oil-wax is extracted from the seeds of the jojoba (Simmondsia chinensis Link Schneider), a perennial shrub that grows in semi-desert areas in Egypt and in some parts of the world. The main uses of jojoba oil wax are in the cosmetics and pharmaceutical industry, but new uses could arise related to the search of new energetic crops. This paper summarizes a process to convert the jojoba oil wax to biodiesel by transesterification with ethanol and a series of aliphatic alcohols using a more economic and energy saving method in a domestic microwave. The effect of time and power of the microwave on the extent of the transesterification using ethanol and other aliphatic alcohols has been studied. The separation of the alkyl esters from the fatty alcohols rich fraction has been done in a single crystallization step at low temperature (−18°C) from low boiling point petroleum ether. Gas chromatography has been used to follow up the transesterification process. All products have been characterized by spectral analysis.

Keywords: jojoba oil, transesterification, microwave, gas chromatography jojoba esters, jojoba alcohol

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Authors: Bayan Alqasem, Israa Othman, Mohammad Abu Haija, Fawzi Banat

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The large-scale production of wastewater containing highly toxic pollutants made it necessary to find efficient water treatment technologies. Phenolic compounds, which are known to be persistent and hazardous, are highly presented in wastewater. In this study, different ferrite catalysts CrFe₂O₄, CuFe₂O₄, MgFe₂O₄, MnFe₂O₄, NiFe₂O₄, and ZnFe₂O₄ were employed to study the catalytic degradation of phenol aqueous solutions. The catalysts were prepared via sol-gel and co-precipitation methods. All of the prepared catalysts were characterized using infrared spectroscopy (IR), X-ray diffraction (XRD), and scanning electron microscopy (SEM). The ferrites catalytic activities were tested towards phenol degradation using high-performance liquid chromatography (HPLC). The photocatalytic properties of the ferrites were also investigated. The experimental results suggested that CuFe₂O₄ is an effective catalyst for the removal of phenol from wastewater. Additionally, different CuFe₂O₄composites were also prepared either by varying the metal ratios or incorporating chemically reduced graphene oxide in the ferrite cluster.

Keywords: phenol degradation, ferrite catalysts, ferrite composites, photocatalysis

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Authors: Zs. Csanádi, A. Szabó Nagy, J. Szabó, J. Erdős

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Atmospheric concentrations of some heavy metal compounds (Pb, Cd, Ni) and the metalloid As were identified and determined in airborne PM2.5 particles in urban sites of Győr, northwest area of Hungary. PM2.5 aerosol samples were collected in two different sampling sites and the trace metal(loid) (Pb, Ni, Cd and As) content were analyzed by atomic absorption spectroscopy. The concentration of PM2.5 fraction was varied between 12.22 and 36.92 μg/m³ at the two sampling sites. The trend of heavy metal mean concentrations regarding the mean value of the two urban sites of Győr was found in decreasing order of Pb > Ni > Cd. The mean values were 7.59 ng/m³ for Pb, 0.34 ng/m³ for Ni and 0.11 ng/m³ for Cd, respectively. The metalloid As could be detected only in 3.57% of the total collected samples. The levels of PM2.5 bounded heavy metals were determined and compared with other cities located in Hungary.

Keywords: aerosol, air quality, heavy metals, PM2.5

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Authors: Jovana Bogojeski, Dusan Cocic, Nenad Jankovic, Angelina Petrovic

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Kinetically-inert transition metal complexes, such as Rh(III) and Os(III) complexes, attract increasing attention as leading scaffolds for the development of potential pharmacological agents due to their inertness and stability. Therefore, we have designed and fully characterized a few novel rhodium(III) and osmium(III) complexes with a tridentate nitrogen−donor chelate system. For some complexes, the crystal X-ray structure analysis was performed. Reactivity of the newly synthesized complexes towards small biomolecules, such as L-methionine (L-Met), guanosine-5’-monophosphate (5’-GMP), and glutathione (GSH) has been examined. Also, the reactivity of these complexes towards the DNA/RNA (Ribonucleic acid) duplexes was investigated. Obtained results show that the newly synthesized complexes exhibit good affinity towards the studied ligands. Results also show that the complexes react faster with the RNA duplex than with the DNA and that in the DNA duplex reaction is faster with 15mer GG than with the 22mer GG. The UV-Vis (Ultraviolet-visible spectroscopy) is absorption spectroscopy, and the EB (Ethidium bromide) displacement studies were used to examine the interaction of these complexes with CT-DNA and BSA (Bovine serum albumin). All studied complex showed good interaction ability with both the DNA and BSA. Furthermore, the DFT (Density-functional theory) calculation and docking studies were performed. The impact of the metal complex on the cytotoxicity was tested by MTT assay (a colorimetric assay for assessing cell metabolic activity) on HCT-116 lines (human colon cancer cell line). In addition, all these tests were repeated in the presence of several water-soluble biologically active ionic liquids. Attained results indicate that the ionic liquids increase the activity of the investigated complexes. All obtained results in this study imply that the introduction of different spectator ligand can be used to improve the reactivity of rhodium(III) and osmium(III) complexes. Finally, these results indicate that the examined complexes show reactivity characteristics needed for potential anti-tumor agents, with possible targets being both the DNA and proteins. Every new contribution in this field is highly warranted due to the current lack of clinically used Metallo-based alternatives to cisplatin.

Keywords: biomolecules, ionic liquids, osmium(III), rhodium(III)

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Authors: A. H. Elkholy, D. M. Almutairi

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The successful and efficient execution of a forging process is dependent upon the correct analysis of loading and metal flow of blanks. This paper investigates the Upper Bound Technique (UBT) and its application in the analysis of open forging process when a possibility of blank bulging exists. The UBT is one of the energy rate minimization methods for the solution of metal forming process based on the upper bound theorem. In this regards, the kinematically admissible velocity field is obtained by minimizing the total forging energy rate. A computer program is developed in this research to implement the UBT. The significant advantages of this method is the speed of execution while maintaining a fairly high degree of accuracy and the wide prediction capability. The information from this analysis is useful for the design of forging processes and dies. Results for the prediction of forging loads and stresses, metal flow and surface profiles with the assured benefits in terms of press selection and blank preform design are outlined in some detail. The obtained predictions are ready for comparison with both laboratory and industrial results.

Keywords: forging, upper bound technique, metal forming, forging energy, forging die/platen

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Authors: Huma Naeem, Saif-Ur-Rehman Kashif, Muhammad Nawaz Chaudhry

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Milk plays a significant role in the dietary requirements of human beings as it is a single source that provides various essential nutrients. A study was conducted to evaluate the heavy metal concentration in the raw milk marketed in Data Gunj Baksh Town of Lahore. A total of 180 samples of raw milk were collected in pre-monsoon, monsoon and post-monsoon season from five colonies of Data Gunj Baksh Town, Lahore. The milk samples were subjected to heavy metal analysis (Cr, Cu) by atomic absorption spectrophotometer. Results indicated high levels of Cr and Cu in post-monsoon seasons. Heavy metals were detected in milk in all samples under study and exceeded the standards given by FAO.

Keywords: atomic absorption spectrophotometer, chromium, copper, heavy metal

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Authors: Liang-Yi Lin, Hsunling Bai

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In this work, transition metal (metal= Co, Fe, Ni, Cu, and Mn) modified cerium oxide catalysts supported on mesoporous aluminosilicate particles (Ce/Al-MSPs) were prepared using waste silicate as the precursors through aerosol-assisted flow process, and their catalytic performances were investigated for acetone incineration. Tests on the bimetallic Ce/Al-MSPs and Mn/Al-MSPs and trimetallic Mn-Ce, Fe-Ce, Co-Ce, Ni-Ce, and Cu-Ce/Al-MSPs in the temperature range of 100-300 oC demonstrated that Ce was the main active metal while Mn acted as a suitable promoter in acetone incineration reactions. Among tested catalysts, Mn-Ce/Al-MSPs with a Mn/Ce molar ratio of 2/1 exhibited the highest acetone catalytic activity. Moreover, the synergetic effect was observed for trimetallic Mn-Ce/Al-MSPs on the acetone removal as compared to the bimetallic Ce/Al-MSPs or Mn/Al-MSPs catalysts.

Keywords: acetone, catalytic oxidation, cerium oxide, mesoporous silica

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Authors: Sahar Abbaszadeh, Sharifah Rafidah Wan Alwi, Colin Webb, Nahid Ghasemi, Ida Idayu Muhamad

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Toxic heavy metal discharges into environment due to rapid industrialization is a serious pollution problem that has drawn global attention towards their adverse impacts on both the structure of ecological systems as well as human health. Lead as toxic and bio-accumulating elements through the food chain, is regularly entering to water bodies from discharges of industries such as plating, mining activities, battery manufacture, paint manufacture, etc. The application of conventional methods to degrease and remove Pb(II) ion from wastewater is often restricted due to technical and economic constrains. Therefore, the use of various agro-wastes as low-cost bioadsorbent is found to be attractive since they are abundantly available and cheap. In this study, activated carbon of papaya peel (AC-PP) (as locally available agricultural waste) was employed to evaluate its Pb(II) uptake capacity from single-solute solutions in sets of batch mode experiments. To assess the surface characteristics of the adsorbents, the scanning electron microscope (SEM) coupled with energy disperse X-ray (EDX), and Fourier transform infrared spectroscopy (FT-IR) analysis were utilized. The removal amount of Pb(II) was determined by atomic adsorption spectrometry (AAS). The effects of pH, contact time, the initial concentration of Pb(II) and adsorbent dosage were investigated. The pH value = 5 was observed as optimum solution pH. The optimum initial concentration of Pb(II) in the solution for AC-PP was found to be 200 mg/l where the amount of Pb(II) removed was 36.42 mg/g. At the agitating time of 2 h, the adsorption processes using 100 mg dosage of AC-PP reached equilibrium. The experimental results exhibit high capability and metal affinity of modified papaya peel waste with removal efficiency of 93.22 %. The evaluation results show that the equilibrium adsorption of Pb(II) was best expressed by Freundlich isotherm model (R2 > 0.93). The experimental results confirmed that AC-PP potentially can be employed as an alternative adsorbent for Pb(II) uptake from industrial wastewater for the design of an environmentally friendly yet economical wastewater treatment process.

Keywords: activated carbon, bioadsorption, lead removal, papaya peel, wastewater treatment

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Authors: I. Nazari, B. Shaabani, P. Abaasifar

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In small quantities certain heavy metals are nutritionally essential for a healthy life. The heavy metals linked most often to human poisoning are lead, mercury, arsenic, and cadmium. Other heavy metals including copper, zinc and chromium are actually required by the body in small quantity but can also be toxic in large doses. Nowadays, we have contamination to this heavy metals in some untreated industrial waste waters and even in several populated cities drinking waters around the world. The contamination of ground and underground water sources to heavy metals can be concentrated and travel up to food chain by drinking water and agricultural products. In recent years, the need for safe and economical methods for removal of heavy metals from contaminated water has necessitated research interest towards the finding low-cost alternatives. Bio-adsorbents have emerged as low-cost and efficient materials for the removal of heavy metals from waste and ground waters. The bio-adsorbents have an affinity for heavy metals ions to form metal complexes or chelates due to having functional groups including carboxyl, hydroxyl, imidazole, and etc. The objective of this study is to review researches in less expensive adsorbents and their utilization possibilities for various low-cost bio-adsorbents such as coffee beans, rice husk, and saw dust for the removal of heavy metals from contaminated waters.

Keywords: heavy metals, water pollution, bio-adsorbents, low cost adsorbents

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Authors: Rosangliana Chawngthu, Ramkumar K. Thapa

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A model calculation of photoassisted field emission current (PFEC) by using transfer Hamiltonian method will be present here. When the photon energy is incident on the surface of the metals, such that the energy of a photon is usually less than the work function of the metal under investigation. The incident radiation photo excites the electrons to a final state which lies below the vacuum level; the electrons are confined within the metal surface. A strong static electric field is then applied to the surface of the metal which causes the photoexcited electrons to tunnel through the surface potential barrier into the vacuum region and constitutes the considerable current called photoassisted field emission current. The incident radiation is usually a laser beam, causes the transition of electrons from the initial state to the final state and the matrix element for this transition will be written. For the calculation of PFEC, transfer Hamiltonian method is used. The initial state wavefunction is calculated by using Kronig-Penney potential model. The effect of the matrix element will also be studied. An appropriate dielectric model for the surface region of the metal will be used for the evaluation of vector potential. FORTRAN programme is used for the calculation of PFEC. The results will be checked with experimental data and the theoretical results.

Keywords: photoassisted field emission, transfer Hamiltonian, vector potential, wavefunction

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Authors: Hamid Hossein Khezri, Afsaneh Javdani-Mallak

Abstract:

Fast inhibitory neurotransmission in the mammalian nervous system is largely mediated by GABAA receptors, chloride-selective members of the superfamily of pentameric Cys-loop receptors. Cannabidiol (CBD) is one of the members of cannabinoid compounds found in cannabis. CBD and Cannabinol (CBN), as the other extract of plant Cannabis, were able to reduce myofascial pain in rats with immunosuppressive and anti-inflammatory activities. In this study, we accomplished protein-protein BLAST and the sequence was found to be for Gamma-aminobutyric acid receptor subunit alpha-1 (GBRA1) chain A and its 3D structure was subsequently downloaded from Protein Data Bank. The structures of the ligands cannabinol and cannabidiol were obtained from PubChem. After a necessary process of the obtained files, AutoDock Vina was used to performing molecular docking. Docking between the ligands and GBRA1 chain A revealed that cannabinol has a higher affinity to GBRA1 (binding energy = -7.5 kcal/mol) compared to cannabidiol (binding energy = -6.5 kcal/mol). Furthermore, cannabinol seems to be able to interact with 10 residues of the protein, out of which 3 are in the neurotransmitter-gated ion-channel transmembrane domain of GBRA1, whereas cannabidiol interacts with two other residues. Although the results of this project do not indicate the activating /or inhibitory capability of the studied compounds, it suggests that cannabinol can act as a relatively strong ligand for GBRA1.

Keywords: protein-ligand docking, cannabinol, cannabidiol, GBRA1

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Authors: Mohsen Farahat, Tsuyoshi Hirajima

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Surface characteristics of Bacillus megaterium strain were investigated; zeta potential, FTIR and contact angle were measured. Surface energy components including Lifshitz-van der Waals, Hamaker constant, and acid/base components (Lewis acid/Lewis base) were calculated from the contact angle data. The results showed that the microbial cells were negatively charged over all pH regions with high values at alkaline region. A hydrophilic nature for the strain was confirmed by contact angle and free energy of adhesion between microbial cells. Adsorption affinity of the strain toward dolomite was studied at different pH values. The results showed that the cells had a high affinity to dolomite at acid pH comparing to neutral and alkaline pH. Extended DLVO theory was applied to calculate interaction energy between B. megaterium cells and dolomite particles. The adsorption results were in agreement with the results of Extended DLVO approach. Surface changes occurred on dolomite surface after the bio-treatment were monitored; contact angle decreased from 69° to 38° and the mineral’s floatability decreased from 95% to 25% after the treatment.

Keywords: Bacillus megaterium, surface modification, flotation, dolomite, adhesion energy

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Authors: Jinyoung Choi, Tae-Ho Yoon, Sunmook Lee

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Degradation of standard oxygen transfer efficiency (SOTE) with time was observed for the assessment of lifetime of metal-based air-diffuser, which displaced a polymer composite-based air-diffuser in order to attain a longer lifetime in the actual field. The degradation of air-diffuser occurred due to the failure of the formation of small and uniform air bubbles since the patterns formed on the disc of air-diffuser deteriorated and/or changed from their initial shapes while they were continuously exposed to the air blowing condition during the operation in the field. Therefore, the lifetime assessment of metal-based air-diffuser was carried out through an accelerated degradation test by accelerating the air-blowing conditions in 200 L/min, 300 L/min, and 400 L/min and the lifetime of normal operating condition at 120 L/min was predicted. It was found that Weibull distribution was the most proper one for describing the lifetime distribution of metal-based air-diffuser in the present study. The shape and scale parameters indicated that the accelerated blowing conditions were all within the acceleration domain. The lifetime was predicted by adopting inverse power model for a stress-life relationship and estimated to be B10=94,004 hrs with CL=95%. Acknowledgement: This work was financially supported by the Ministry of Trade, Industry and Energy (Grant number: N0001475).

Keywords: accelerated degradation test, air-diffuser, lifetime assessment, SOTE

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Authors: D. M. Eric, D. Milosevic, F. D. Eric

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Concurrent engineering technologies are a modern concept in manufacturing engineering. One of the key goals in designing modern technological processes is further reduction of production costs, both in the prototype and the preparatory part, as well as during the serial production. Thanks to many segments of concurrent engineering, these goals can be accomplished much more easily. In this paper, we give an overview of the advantages of using modern software simulations in relation to the classical aspects of designing technological processes of metal deformation. Significant savings are achieved thanks to the electronic simulation and software detection of all possible irregularities in the functional-working regime of the technological process. In order for the expected results to be optimal, it is necessary that the input parameters are very objective and that they reliably represent the values ​of these parameters in real conditions. Since it is a metal deformation treatment here, the particularly important parameters are the coefficient of internal friction between the working material and the tools, as well as the parameters related to the flow curve of the processing material. The paper will give a presentation for the experimental determination of some of these parameters.

Keywords: production technologies, metal processing, software simulations, effects of application

Procedia PDF Downloads 236

Authors: Mayoorika Shukla, Pramila Jakhar, Tejendra Dixit, I. A. Palani, Vipul Singh

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Biosensors are analytical devices with wide range of applications in biological, chemical, environmental and clinical analysis. It comprises of bio-recognition layer which has biomolecules (enzymes, antibodies, DNA, etc.) immobilized over it for detection of analyte and transducer which converts the biological signal into the electrical signal. The performance of biosensor primarily the depends on the bio-recognition layer and therefore it has to be chosen wisely. In this regard, nanostructures of metal oxides such as ZnO, SnO2, V2O5, and TiO2, etc. have been explored extensively as bio-recognition layer. Recently, ZnO has the attracted attention of researchers due to its unique properties like high iso-electric point, biocompatibility, stability, high electron mobility and high electron binding energy, etc. Although there have been many reports on usage of ZnO as bio-recognition layer but to the authors’ knowledge, none has ever observed correlation between optical properties like defect suppression and biosensing capability of the sensor. Here, ZnO nanorods (ZNR) have been synthesized by a low cost, simple and low-temperature hydrothermal growth process, over Platinum (Pt) coated glass substrate. The ZNR have been synthesized in two steps viz. initially a seed layer was coated over substrate (Pt coated glass) followed by immersion of it into nutrient solution of Zinc nitrate and Hexamethylenetetramine (HMTA) with in situ addition of KMnO4. The addition of KMnO4 was observed to have a profound effect over the growth rate anisotropy of ZnO nanostructures. Clustered and powdery growth of ZnO was observed without addition of KMnO4, although by addition of it during the growth, uniform and crystalline ZNR were found to be grown over the substrate. Moreover, the same has resulted in suppression of defects as observed by Normalized Photoluminescence (PL) spectra since KMnO4 is a strong oxidizing agent which provides an oxygen rich growth environment. Further, to explore the correlation between defect suppression and biosensing capability of the ZNR Glucose oxidase (Gox) was immobilized over it, using physical adsorption technique followed by drop casting of nafion. Here the main objective of the work was to analyze effect of defect suppression over biosensing capability, and therefore Gox has been chosen as model enzyme, and electrochemical amperometric glucose detection was performed. The incorporation of KMnO4 during growth has resulted in variation of optical and charge transfer properties of ZNR which in turn were observed to have deep impact on biosensor figure of merits. The sensitivity of biosensor was found to increase by 12-18 times, due to variations introduced by addition of KMnO4 during growth. The amperometric detection of glucose in continuously stirred buffer solution was performed. Interestingly, defect suppression has been observed to contribute towards the improvement of biosensor performance. The detailed mechanism of growth of ZNR along with the overall influence of defect suppression on the sensing capabilities of the resulting enzymatic electrochemical biosensor and different figure of merits of the biosensor (Glass/Pt/ZNR/Gox/Nafion) will be discussed during the conference.

Keywords: biosensors, defects, KMnO4, ZnO nanorods

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Authors: Anahita Mortazavi Manesh, Mojtaba Bagherzadeh

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Metalloporphyrins are well known to mimic the activity of monooxygenase enzymes. In this regard, metalloporphyrin complexes have been largely employed as valuable biomimetic catalysts, owing to the critical roles they play in oxygen transfer processes in catalytic oxidation reactions. Investigating in this area is based on different strategies to design selective, stable and high turnover catalytic systems. Immobilization of expensive metalloporphyrin catalysts onto supports appears to be a good way to improve their stability, selectivity and the catalytic performance because of the support environment and other advantages with respect to recovery, reuse. In other words, supporting metalloporphyrins provides a physical separation of active sites, thus minimizing catalyst self-destruction and dimerization of unhindered metalloporphyrins. Furthermore, heterogeneous catalytic oxidations have become an important target since their process are used in industry, helping to minimize the problems of industrial waste treatment. Hence, the immobilization of these biomimetic catalysts is much desired. An attractive approach is the preparation of the heterogeneous catalyst involves immobilization of complexes on silica coated magnetic nano-particles. Fe3O4@SiO2 magnetic nanoparticles have been studied extensively due to their superparamagnetism property, large surface area to volume ratio and easy functionalization. Using heterogenized homogeneous catalysts is an attractive option to facile separation of catalyst, simplified product work-up and continuity of catalytic system. Homogeneous catalysts immobilized on magnetic nanoparticles (MNPs) surface occupy a unique position due to combining the advantages of both homogeneous and heterogeneous catalysts. In addition, superparamagnetic nature of MNPs enable very simple separation of the immobilized catalysts from the reaction mixture using an external magnet. In the present work, an efficient heterogeneous catalyst was prepared by immobilizing manganese porphyrin on functionalized magnetic nanoparticles through the amino propyl linkage. The prepared catalyst was characterized by elemental analysis, FT-IR spectroscopy, X-ray powder diffraction, atomic absorption spectroscopy, UV-Vis spectroscopy, and scanning electron microscopy. Application of immobilized metalloporphyrin in the oxidation of various organic substrates was explored using Gas chromatographic (GC) analyses. The results showed that the supported Mn-porphyrin catalyst (Fe3O4@SiO2-NH2@MnPor) is an efficient and reusable catalyst in oxidation reactions. Our catalytic system exhibits high catalytic activity in terms of turnover number (TON) and reaction conditions. Leaching and recycling experiments revealed that nanocatalyst can be recovered several times without loss of activity and magnetic properties. The most important advantage of this heterogenized catalytic system is the simplicity of the catalyst separation in which the catalyst can be separated from the reaction mixture by applying a magnet. Furthermore, the separation and reuse of the magnetic Fe3O4 nanoparticles were very effective and economical.

Keywords: Fe3O4 nanoparticle, immobilized metalloporphyrin, magnetically separable nanocatalyst, oxidation reactions

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Authors: Arife Simsek, Gulfem Bakan

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Sediment refers to the accumulation of varying amounts of sediment material in natural waters and the formation of bottom sludge. Sediments are the most important sources of pollutants as well as important future sources and carriers of pollutants. The accumulation of pollutants in sediments can cause serious environmental problems for the surrounding areas. Heavy metals (such as Cr, Cd, Al, Pb, Cu, Al, Zn) disrupt the water quality, affect the useful use of sediment, affect the ecosystem and have a toxic effect on the life of the sediment layer. This effect, which accumulates in the aquatic organisms, can enter the human body with the food chain and affect health seriously. Potential metal toxicity can be determined by comparing acid volatile sulfides (AVS) – simultaneously extracted metal (SEM) ratio in anoxic sediments to determine the effect of metals. Determination of the concentration of SEM and AVS is useful in screening sediments for potential toxicity due to the high metal concentration. In the case of SEM/AVS < 0 (anoxic sediment); in terms of AVS biomass production, its toxicity can be controlled. No toxic effects may be observed when SEM / AVS < 0. SEM / AVS > 0 (in the case of oxic sediment); metals with sensitive fraction such as Cu, As, Ag, Zn are stored. In this study, AVS and SEM measurements of sediment samples collected from five different points in the district of Tekkeköy in Samsun province were performed. The SEM - AVS ratio was greater than 0 in all samples. Therefore, it is necessary to test the toxicity against the risks that may occur in the ecosystem.

Keywords: AVS-SEM, Black Sea, heavy metal, sediment, toxicity

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Authors: Min-Hao Wang, Shih-Chih Chen

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Recently, the merits such as simple structure, low power consumption, and compatibility with complementary metal oxide semiconductor (CMOS) process give an advantage of resistive random access memory (RRAM) as a promising candidate for the next generation memory， hafnium dioxide (HfO2) has been widely studied as an oxide layer material, but the use of copper (Cu) as both top and bottom electrodes has rarely been studied. In this study, radio frequency sputtering was used to deposit the intermediate layer HfO₂, and electron beam evaporation was used. For the upper and lower electrodes (cu), using different AR: O ratios, we found that the control of the metal filament will make the filament widely distributed, causing the current to rise to the limit current during Reset. However, if the flow ratio is controlled well, the ON/OFF ratio can reach 104, and the set voltage is controlled below 3v.

Keywords: RRAM, metal filament, HfO₂, Cu electrode

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Authors: Kolja Them, Johannes Salamon, Harald Ittrich, Michael Kaul, Tobias Knopp

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Superparamagnetic iron oxide nanoparticles (SPIONs) are nanoscale magnets which can be biologically functionalized for biomedical applications. Stem cell therapies to repair damaged tissue, magnetic fluid hyperthermia for cancer therapy and targeted drug delivery based on SPIONs are prominent examples where the visualization of a preferably low concentrated SPION distribution is essential. In 2005 a new method for tomographic SPION imaging has been introduced. The method named magnetic particle imaging (MPI) takes advantage of the nanoparticles magnetization change caused by an oscillating, external magnetic field and allows to directly image the time-dependent nanoparticle distribution. The SPION magnetization can be changed by the electron spin dynamics as well as by a mechanical rotation of the nanoparticle. In this work different calibration methods in MPI are investigated for image reconstruction of magnetically labeled stem cells. It is shown that a calibration using rotationally immobilized SPIONs provides a higher quality of stem cell images with fewer artifacts than a calibration using mobile SPIONs. The enhancement of the image quality and the reduction of artifacts enables the localization and identification of a smaller number of magnetically labeled stem cells. This is important for future medical applications where low concentrations of functionalized SPIONs interacting with biological matter have to be localized.

Keywords: biomedical imaging, iron oxide nanoparticles, magnetic particle imaging, stem cell imaging

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Authors: Felix U. Asoiro, Kingsley O. Anyichie, Meshack I. Simeon, Chinenye E. Azuka

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The work was aimed at studying the effects of microwave drying (450 W) and hot air oven drying on the drying kinetics and physico-functional properties of yams and cocoyams species. The yams and cocoyams were cut into chips of thicknesses of 3mm, 5mm, 7mm, 9mm, and 11mm. The drying characteristics of yam and cocoyam chips were investigated under microwave drying and hot air oven temperatures (50oC – 90oC). Drying methods, temperature, and thickness had a significant effect on the drying characteristics and physico-functional properties of yam and cocoyam. The result of the experiment showed that an increase in the temperature increased the drying time. The result also showed that the microwave drying method took lesser time to dry the samples than the hot air oven drying method. The iodine affinity of starch for yam was higher than that of cocoyam for the microwaved dried samples over those of hot air oven-dried samples. The results of the analysis would be useful in modeling the drying behavior of yams and cocoyams under different drying methods. It could also be useful in the improvement of shelf life for yams and cocoyams as well as designs of efficient systems for drying, handling, storage, packaging, processing, and transportation of yams and cocoyams.

Keywords: coco yam, drying, microwave, modeling, energy consumption, iodine affinity, drying ate

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Authors: Sonam Kumari

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Mycobacterium tuberculosis (Mtb), the causative agent of tuberculosis, possesses a remarkable feature of entering into and emerging from a persistent state. The mechanism by which Mtb switches from the dormant state to the replicative form is still poorly characterized. Proteome studies have given us an insight into the role of certain proteins in giving stupendous virulence to Mtb, but numerous dotsremain unconnected and unaccounted. The WhiB family of proteins is one such protein that is associated with developmental processes in actinomycetes.Mtb has seven such proteins (WhiB1 to WhiB7).WhiB proteins are transcriptional regulators; their conserved C-terminal HTH motif is involved in DNA binding. They regulate various essential genes of Mtbby binding to their promoter DNA. Biophysical Analysis of the effect of DNA binding on WhiB proteins has not yet been appropriately characterized. Interaction with DNA induces conformational changes in the WhiB proteins, confirmed by steady-state fluorescence and circular dichroism spectroscopy. ITC has deduced thermodynamic parameters and the binding affinity of the interaction. Since these transcription factors are highly unstable in vitro, their stability and solubility were enhanced by the co-expression of molecular chaperones. The present study findings help determine the conditions under which the WhiB proteins interact with their interacting partner and the factors that influence their binding affinity. This is crucial in understanding their role in regulating gene expression in Mtbandin targeting WhiB proteins as a drug target to cure TB.

Keywords: tuberculosis, WhiB proteins, mycobacterium tuberculosis, nucleic acid binding

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Authors: Xiang Li, Kui Chen, Bin Wu, Min Zhou

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Sclareolide is made from sclareol by oxidiative synthesis and subsequent crystallization, while the crystallization mother liquor still contains 15%~30%wt of sclareolide to be reclaimed. With the reaction material of sclareol is provided as plant extract, many sorts of complex impurities exist in the mother liquor. Due to the difficulty in recycling sclareolide after solvent recovery, it is common practice for the factories to discard the mother liquor, which not only results in loss of sclareolide, but also contributes extra environmental burden. In this paper, a process based on adsorption and elution has been presented for recycling of sclareolide from mother liquor. After pretreatment of the crystallization mother liquor by HZ-845 resin to remove parts of impurities, sclareolide is adsorbed by HZ-816 resin. The HZ-816 resin loaded with sclareolide is then eluted by elution solvent. Finally, the eluent containing sclareolide is concentrated and fed into the crystallization step in the process. By adoption of the recycle from mother liquor, total yield of sclareolide increases from 86% to 90% with a stable purity of the final sclareolide products maintained.

Keywords: sclareolide, resin, adsorption, chromatography

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Authors: Igor B. Sivaev

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Design of molecular machines is an extraordinary growing and very important area of research that it was recognized by awarding Sauvage, Stoddart and Feringa the Nobel Prize in Chemistry in 2016 'for the design and synthesis of molecular machines'. Based on the type of motion being performed, molecular machines can be divided into two main types: molecular motors and molecular switches. Molecular switches are molecules or supramolecular complexes having bistability, i.e., the ability to exist in two or more stable forms, among which may be reversible transitions under external influence (heating, lighting, changing the medium acidity, the action of chemicals, exposure to magnetic or electric field). Molecular switches are the main structural element of any molecular electronics devices. Therefore, the design and the study of molecules and supramolecular systems capable of performing mechanical movement is an important and urgent problem of modern chemistry. There is growing interest in molecular switches and other devices of molecular electronics based on transition metal complexes; therefore choice of suitable stable organometallic unit is of great importance. An example of such unit is bis(dicarbollide) complexes of transition metals [3,3’-M(1,2-C₂B₉H₁₁)₂]ⁿ⁻. The control on the ligand rotation in such complexes can be reached by introducing substituents which could provide stabilization of certain rotamers due to specific interactions between the ligands, on the one hand, and which can participate as Lewis bases in complex formation with external metals resulting in a change in the rotation angle of the ligands, on the other hand. A series of isomeric methyl sulfide derivatives of cobalt bis(dicarbollide) complexes containing methyl sulfide substituents at boron atoms in different positions of the pentagonal face of the dicarbollide ligands [8,8’-(MeS)₂-3,3’-Co(1,2-C₂B₉H₁₀)₂]⁻, rac-[4,4’-(MeS)₂-3,3’-Co(1,2-C₂B₉H₁₀)₂]⁻ and meso-[4,7’-(MeS)₂-3,3’-Co(1,2-C₂B₉H₁₀)₂]⁻ were synthesized by the reaction of CoCl₂ with the corresponding methyl sulfide carborane derivatives [10-MeS-7,8-C₂B₉H₁₁)₂]⁻ and [10-MeS-7,8-C₂B₉H₁₁)₂]⁻. In the case of asymmetrically substituted cobalt bis(dicarbollide) complexes the corresponding rac- and meso-isomers were successfully separated by column chromatography as the tetrabutylammonium salts. The compounds obtained were studied by the methods of ¹H, ¹³C, and ¹¹B NMR spectroscopy, single crystal X-ray diffraction, cyclic voltammetry, controlled potential coulometry and quantum chemical calculations. It was found that in the solid state, the transoid- and gauche-conformations of the 8,8’- and 4,4’-isomers are stabilized by four intramolecular CH···S(Me)B hydrogen bonds each one (2.683-2.712 Å and 2.709-2.752 Å, respectively), whereas gauche-conformation of the 4,7’-isomer is stabilized by two intramolecular CH···S hydrogen bonds (2.699-2.711 Å). The existence of the intramolecular CH·S(Me)B hydrogen bonding in solutions was supported by the 1H NMR spectroscopy. These data are in a good agreement with results of the quantum chemical calculations. The corresponding iron and nickel complexes were synthesized as well. The reaction of the methyl sulfide derivatives of cobalt bis(dicarbollide) with various labile transition metal complexes results in rupture of intramolecular hydrogen bonds and complexation of the methyl sulfide groups with external metal. This results in stabilization of other rotational conformation of cobalt bis(dicarbollide) and can be used in design of molecular switches. This work was supported by the Russian Science Foundation (16-13-10331).

Keywords: molecular switches, NMR spectroscopy, single crystal X-ray diffraction, transition metal bis(dicarbollide) complexes, quantum chemical calculations

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Authors: Hoda A. Mohammed, Esraa M. El-Fawal, Howaida M. Abd El-Salam

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Organic sulfurs in fuel oil cause serious environmental pollution and health problems. The important future direction for liquid fuel desulfurization is adsorptive desulfurization technology due to its simplicity, mild operating condition, and low cost. In this work, the well-prepared Nickel NPs were incorporated in a highly porous metal-organic framework MIL-101(Cr)) to produce Ni/Cr-MOF composite. Besides, the synthesis of Ni/Cr-MOF in the presence of Bi₂MoO₆/AC to prepare Bi₂MoO₆/AC@Ni/Cr-MOF. All the prepared composites were synthesized via a facile technique under ambient conditions to remove organosulfur compounds. The XRD, FT-IR, SEM, and BET techniques were used to characterize the prepared composites. The desulfurization performance of real gas oil by Bi₂MoO₆/AC, Ni/Cr-MOF, and Bi₂MoO₆/AC@Ni/Cr-MOF was investigated at different adsorbent doses and contact times. Bi₂MoO₆/AC@Ni/Cr-MOF shows the highest desulfurization performance, with removal efficiency reached to 80% at optimum conditions for a contact time of 4 hours.

Keywords: desulfurization, gas oil, metal-organic framework, sorption characteristics

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Authors: Karel Frana, Sylvio Simon

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The objective of the paper is a numerical study of heat transfer between perforated metal plates and the surrounding air flows. Different perforation structures can nowadays be found in various industrial products. Besides improving the mechanical properties, the perforations can intensify the heat transfer as well. The heat transfer coefficient depends on a wide range of parameters such as type of perforation, size, shape, flow properties of the surrounding air etc. The paper was focused on three different perforation structures which have been investigated from the point of the view of the production in the previous studies. To determine the heat coefficients and the Nusselt numbers, the numerical simulation approach was adopted. The calculations were performed using the OpenFOAM software. The three-dimensional, unstable, turbulent and incompressible air flow around the perforated surface metal plate was considered.

Keywords: perforations, convective heat transfers, turbulent flows, numerical simulations

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Authors: Niharul Alam

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The development of energy efficient, economic and eco-friendly synthetic protocols for metal nanoparticles (NPs) with tailor-made structural properties and biocompatibility is a highly cherished goal for researchers working in the field of nanoscience and nanotechnology. In this context, green chemistry is highly relevant and the 12 principles of Green Chemistry can be explored to develop such synthetic protocols which are practically implementable. One of the most promising green chemical synthetic methods which can serve the purpose is biogenic synthetic protocol, which utilizes non-toxic multifunctional reactants derived from natural, biological sources ranging from unicellular organisms to higher plants that are often characterized as “medicinal plants”. Over the past few years, a plethora of medicinal plants have been explored as the source of this kind of multifunctional green chemical agents. In this presentation, we focus on the syntheses of stable monometallic Au and Ag NPs and also bimetallic Au/Ag alloy NPs with highly efficient catalytic property using aqueous extract of leaves of Indian Curry leaf plat (Murraya koenigii Spreng.; Fam. Rutaceae) as green multifunctional agents which is extensively used in Indian traditional medicine and cuisine. We have also studied the interaction between the synthesized metal NPs and surface-adsorbed fluorescent moieties, quercetin and quercetin glycoside which are its chemical constituents. This helped us to understand the surface property of the metal NPs synthesized by this plant based biogenic route and to predict a plausible mechanistic pathway which may help in fine-tuning green chemical methods for the controlled synthesis of various metal NPs in future. We observed that simple experimental parameters e.g. pH and temperature of the reaction medium, concentration of multifunctional agent and precursor metal ions play important role in the biogenic synthesis of Au NPs with finely tuned structures.

Keywords: green multifunctional agent, metal nanoparticles, biogenic synthesis

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Authors: Yiğit Gürler, İbrahim Şimşek, Müge Savaştaer, Ayberk Karakuş, Alper Taşdemirci

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316L steel is frequently used in the industry due to its easy formability and accessibility in sheet metal forming processes. Numerical and experimental studies are frequently encountered in the literature to examine the mechanical behavior of 316L stainless steel during the forming process. 316L stainless steel is the most common material used in the production of plate heat exchangers and plate heat exchangers are produced by plastic deformation of the stainless steel. The motivation in this study is to determine the appropriate material model during the simulation of the sheet metal forming process. For this reason, two different material models were examined and Ls-Dyna material cards were created using material test data. These are MAT133_BARLAT_YLD2000 and MAT093_SIMPLIFIED_JOHNSON_COOK. In order to compare results of the tensile test & hydraulic bulge test performed both numerically and experimentally. The obtained results were evaluated comparatively and the most suitable material model was selected for the forming simulation. In future studies, this material model will be used in the numerical modeling of the sheet metal forming process.

Keywords: 316L, mechanical characterization, metal forming, Ls-Dyna

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Authors: Moses A. Guto Maobe, Leonard Gitu, Erastus Gatebe

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The plants Carissa spinarum and Toddalia asiatica have historically been used as herbal medicines in Kisii and Nyamira Counties region, Kenya. But, there is limited study about heavy metal contents in their different plant parts. Such information is necessary for proper use of the two plant species as herbal medicines. So, precise determination of heavy metal contents in different part of these herbs is required for quality, efficacy and safety use in the treatment of ailments. The main aim of this study was to standardize the two herbs of interest. The objective of this study was to evaluate the levels of heavy metal contents in the root of Carissa spinarum and Toddalia asiatica. A wet digestion method with concentrated nitric-hydrochloric acid was used for the dissolution of each herb part prior to elemental analysis. Standard solutions of various concentrations of each pure metal of analytical grade arsenic (As), cadmium (Cd) and mercury (Hg) were prepared and used. The analysis of As, Cd and Hg in each of two herbs was conducted by atomic absorption spectroscopy (AAS) Shimadzu model No. 6200. Data obtained from root of Carissa spinarum indicated concentration (mgkg⁻¹) of Arsenic (As), Cadmium (Cd) and Mercury (Hg) were 0.87 x 10⁻³, 7.02 x 10⁻⁶ and 0.66 x 10⁻³ respectively. Results obtained from root of Toddalia asiatica showed concentration (mgkg⁻¹) of Arsenic (As), Cadmium (Cd) and Mercury (Hg) were 1.33 x 10⁻³, 7.32 x 10⁻⁶ and 1.13 x 10⁻³, respectively. The permissible limits set by WHO for As, Cd and Hg in herbs are (mgkg⁻¹) < 1 - 5, < 0.3 – 1 and < 0.1- 0.5 respectively. The concentrations of As, Cd, and Hg determined were relatively higher in the root of Toddalia asiatica than the root of Carissa spinarum. It was concluded that levels of heavy metal contents of As, Cd, and Hg in the root of Carissa spinarum and Toddalia asiatica were within permissible limits set by WHO/FAO.

Keywords: heavy metals, Carissa spinarum, Toddalia asiatica, wet digestion, pollutants, AAS

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Authors: Hossein Tavallali, Mohammad Ali Karimi, Gohar Deilamy-Rad

Abstract:

The proposed method for speciation, preconcentration and determination of Fe(II) and Fe(III) in pharmaceutical products was developed using of alumina-coated magnetite nanoparticles (Fe₃O₄/Al₂O₃ NPs) as solid phase extraction (SPE) sorbent in magnetic mixed hemimicell solid phase extraction (MMHSPE) technique followed by flame atomic absorption spectrometry analysis. The procedure is based on complexation of Fe(II) with 1, 10-phenanthroline (OP) as complexing reagent for Fe(II) that immobilized on the modified Fe₃O₄/Al₂O₃ NPs. The extraction and concentration process for pharmaceutical sample was carried out in a single step by mixing the extraction solvent, magnetic adsorbents under ultrasonic action. Then, the adsorbents were isolated from the complicated matrix easily with an external magnetic field. Fe(III) ions determined after facility reduced to Fe(II) by added a proper reduction agent to sample solutions. Compared with traditional methods, the MMHSPE method simplified the operation procedure and reduced the analysis time. Various influencing parameters on the speciation and preconcentration of trace iron, such as pH, sample volume, amount of sorbent, type and concentration of eluent, were studied. Under the optimized operating conditions, the preconcentration factor of the modified nano magnetite for Fe(II) 167 sample was obtained. The detection limits and linear range of this method for iron were 1.0 and 9.0 - 175 ng.mL⁻¹, respectively. Also the relative standard deviation for five replicate determinations of 30.00 ng.mL^-1 Fe²⁺ was 2.3%.

Keywords: Alumina-Coated magnetite nanoparticles, Magnetic Mixed Hemimicell Solid-Phase Extraction, Fe(ΙΙ) and Fe(ΙΙΙ), pharmaceutical sample

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