Search results for: heck reaction

Authors: Adefarati Oloruntoba, Yongmin Zhang, Hongliang Xiao

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An annular fluidized bed (AFB) is gaining extensive application in the process industry due to its efficient gas-solids contacting. But a direct evaluation of its reaction performance is still lacking. In this paper, comparative 3D Euler–Lagrange multiphase-particle-in-cell (MP-PIC) computations are performed to assess the reaction performance of AFB relative to a bubbling fluidized bed (BFB) in an FCC regeneration process. By using the energy-minimization multi-scale (EMMS) drag model with a suitable heterogeneity index, the MP-PIC simulation predicts the typical fountain region in AFB and solids holdup of BFB, which is consistent with an experiment. Coke combustion rate, flue gas and temperature profile are utilized as the performance indicators, while related bed hydrodynamics are explored to account for the different performance under varying superficial gas velocities (0.5 m/s, 0.6 m/s, and 0.7 m/s). Simulation results indicate that the burning rates of coke and its species are relatively the same in both beds, albeit marginal increase in BFB. Similarly, the shape and evolution time of flue gas (CO, CO₂, H₂O and O₂) curves are indistinguishable but match the coke combustion rates. However, AFB has high proclivity to high temperature-gradient as higher gas and solids temperatures are predicted in the freeboard. Moreover, for both beds, the effect of superficial gas velocity is only conspicuous on the temperature but negligible on combustion efficiency and effluent gas emissions due to constant gas volumetric flow rate and bed loading criteria. Cross-flow of solids from the annulus to the spout region as well as the high primary gas in the AFB directly assume the underlying mechanisms for its unique gas-solids hydrodynamics (pressure, solids holdup, velocity, mass flux) and local spatial homogeneity, which in turn influence the reactor performance. Overall, the study portrays AFB as a cheap alternative reactor to BFB for catalyst regeneration.

Keywords: annular fluidized bed, bubbling fluidized bed, coke combustion, flue gas, fountaining, CFD, MP-PIC, hydrodynamics, FCC regeneration

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Authors: Nikita Rajendra Sharma, Jai Prakash Kushvah, Gerhard Rinkenauer

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Driving a car is a discrete aiming movement in which drivers aim at successful extraction of relevant information and elimination of potentially distracting one. It is the motor preparation which enables one to react to certain stimuli onsite by allowing perceptual process for optimal adjustment. Drivers prepare their responses according to the available resources of advanced and ongoing information to drive efficiently. It requires constant programming and reprogramming of the motor system. The reaction time (RT) is shorter when a response signal is preceded by a warning signal. The reason behind this reduced time in responding to targets is that the warning signal causes the participant to prepare for the upcoming response by updating the motor program before the execution. While performing the primary task of changing lanes while driving, the simultaneous occurrence of additional information during the presentation of cues (congruent or incongruent with respect to target cue) might impact the motor preparation and execution. The presence of additional information (other than warning or response signal) between warning signal and imperative stimulus influences human motor preparation to a reasonable extent. The present study was aimed to assess the impact of congruent and incongruent additional information (with respect to imperative stimulus) on driving performance (reaction time, steering wheel amplitude, and steering wheel duration) during a lane change task. implementing movement pre-cueing paradigm. 22 young valid car-drivers (Mage = 24.1+/- 3.21 years, M = 10, F = 12, age-range 21-33 years) participated in the study. The study revealed that additional information influenced the overall driving performance as potential distractors and relevant information. Findings suggest that the events of additional information relatively influenced the reaction time and steering wheel angle as potential distractor or irrelevant information. Participants took longer to respond, and higher steering wheel angles were reported for targets coupled with additional information in comparison with warning signs preceded by potential distractors and the participants' response time was more for a higher number of lanes (2 Lanes > 1 Lane). The same additional information appearing interchangeably at warning signals and targets worked as relevant information facilitating the motor programming in the trails where they were congruent with the direction of lane change direction.

Keywords: additional information, lane change task, motor preparation, movement pre-cueing, reaction time, steering wheel amplitude

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Authors: Wen-Bin Liau, Wan-Ting Wang, Chiang-Jen Hsiao, Sheng-Mao Tseng

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In this paper, an interesting and easy method to prepare one-dimensional nanostructured polyaniline/dendritic silver composites is reported. It is well known that the morphology of metal particle is a very important factor to influence the properties of polymer-metal composites. Usually, the dendritic silver is prepared by kinetic control in reduction reaction. It is not a thermodynamically stable structure. It is the goal to reduce silver ion to dendritic silver by polyaniline polymer via kinetic control and form one-dimensional nanostructured polyaniline/dendritic silver composites. The preparation is a two steps sequential reaction. First step, the polyaniline networks composed of nano fibrillar polyaniline are synthesized from aniline monomers aqueous with ammonium persulfate as the initiator at room temperature. In second step, the silver nitrate is added into polyaniline networks dispersed in deionized water. The dendritic silver is formed via reduction by polyaniline networks under the kinetic control. The formation of polyaniline is discussed via transmission electron microscopy (TEM). Nanosheets, nanotubes, nanospheres, nanosticks, and networks are observed via TEM. Then, the mechanism of formation of one-dimensional nanostructured polyaniline/dendritic silver composites is discussed. The formation of dendritic silver is observed by TEM and X-ray diffraction.

Keywords: 1D nanostructured polyaniline, dendritic silver, synthesis

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Authors: Mahdi Rahaie

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MicroRNAs are a novel class of small RNAs which regulate gene expression by translational repression or degradation of messenger RNAs. To produce sensitive, simple and cost-effective assays for microRNAs, detection is in urgent demand due to important role of these biomolecules in progression of human disease such as Alzheimer’s, Multiple sclerosis, and some other neurodegenerative diseases. Herein, we report several novel, sensitive and specific microRNA nanobiosensors which were designed based on colorimetric and fluorescence detection of nanoparticles and hybridization chain reaction amplification as an enzyme-free amplification. These new strategies eliminate the need for enzymatic reactions, chemical changes, separation processes and sophisticated equipment whereas less limit of detection with most specify are acceptable. The important features of these methods are high sensitivity and specificity to differentiate between perfectly matched, mismatched and non-complementary target microRNAs and also decent response in the real sample analysis with blood plasma. These nanobiosensors can clinically be used not only for the early detection of neuro diseases but also for every sickness related to miRNAs by direct detection of the plasma microRNAs in real clinical samples, without a need for sample preparation, RNA extraction and/or amplification.

Keywords: hybridization chain reaction, microRNA, nanobiosensor, neurodegenerative diseases

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Authors: Chongsutthamani Sitthiwet, Praphatsorn Plerdsranoy, Palmarin Dansirima, Priew Eiamlamai, Oliver Utke, Rapee Utke

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Hydrogen storage tank containing compacted LiNH2-LiH is developed by doping with TiF₄ and multi-walled nanotubes (MWCNTs) to study kinetic properties. Transition metal-based catalyst (TiF₄) provides the catalytic effect on hydrogen dissociation/recombination, while MWCNTs benefit thermal conductivity and hydrogen permeability during de/rehydrogenation process. The Enhancement of dehydrogenation kinetics is observed from the single-step reaction at a narrower and lower temperature range of 150-350 ºC (100 ºC lower than the compacted LiNH₂-LiH without additives) as well as long plateau temperature and constant hydrogen flow rate (50 SCCM) up to 30 min during desorption. Besides, Hydrogen contents de/absorbed during 5-6 cycles increase from 1.90-2.40 to 3.10-4.70 wt. % H₂ (from 29 to up to 80 % of theoretical capacity). In the process, Li₅TiN₃ is detected upon cycling probably absorbs NH₃ to form Li₅TiN₃(NH₃)x, which is favoring hydrogen sorption properties of the LiNH₂-LiH system. Importantly, the homogeneous reaction mechanisms and performances are found at all positions inside the tank of compacted LiNH₂-LiH doped with TiF₄ and MWCNTs.

Keywords: carbon, hydride, kinetics, dehydrogenation

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Authors: Emma Plante, Charles Ekwunwa, Diego Illanes

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Introduction: Serum Sickness-Like Reaction (SSLR) is an inflammatory immune response characterized by a rash, polyarthralgias, and fever. SSLR usually occurs in response to a new medication (most commonly antibiotics, anticonvulsants, or antiinflammatory agents) and is believed to involve the formation of drug-specific immune complexes. Here we present a case of a 16-year-old female patient who developed an SSLR in response to the D-mannose-containing over-the-counter supplement, Uqora, used to promote bladder health. Methodology: The methodology for this study included a thorough literature search for other cases of SSLR associated with D-Mannose containing products. Data collection was performed through a review of the patient’s medical record, including history, physical examination, relevant laboratory results, and treatment plan. Findings: A 16-year-old female with a history of overactive bladder and anemia presented with a diffuse urticarial rash, headaches, joint pain, and swelling for three days. Her medications included oral contraceptive pills, iron, mirabegron, UQora, and a probiotic. Physical examination revealed a diffuse urticarial rash, and her musculoskeletal exam revealed swelling and tenderness in her wrists. Her CBC, basic metabolic panel, liver function panel, lyme titers, and urinalysis were all within normal limits. The patient was referred to an allergist, who diagnosed her with SSLR. All medications were discontinued, and she was treated with a 7-day course of prednisone and cetirizine. Her symptoms resolved, and her medications were slowly resumed sequentially over several months. However, UQora triggered a recurrence of her symptoms, and it was identified as the culprit medication. Consequently, UQora was permanently discontinued, and the patient has remained symptom-free. Conclusion: This case report describes the first documented case of SSLR caused by UQora (active ingredient D-mannose). D-Mannose is a monosaccharide found in many plants and fruits, and it is commonly used to prevent urinary tract infections. While the clinical features and timeline, in this case, were typical of SSLR, UQora as the trigger was highly unusual. Clinicians should be aware of the diverse triggers of SSLR and the importance of prompt identification and management to enhance patient safety. It is possible D-mannose was not the trigger, and further research is necessary to better understand the potential therapeutic applications of D-mannose, as well as the potential risks and interactions.

Keywords: serum sickness-like reaction, d-mannose, hypersensitivity reaction, urticaria

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Authors: Mohamed Ahmed AbdelKawy, A. H. El-Shazly

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In this study, Nano iron-copper core-shell was synthesized by using Kinetic energy micro reactor ( K-M reactor). The reaction between nano-pure iron with copper sulphate pentahydrate (CuSO4.5H2O) beside NaCMC as a stabilizer at K-M reactor gives many advantages in comparison with the traditional chemical method for production of nano iron-Copper core-shell in batch reactor. Many factors were investigated for its effect on the process performance such as initial concentrations of nano iron and copper sulphate pentahydrate solution. Different techniques were used for investigation and characterization of the produced nano iron particles such as SEM, XRD, UV-Vis, XPS, TEM and PSD. The produced Nano iron-copper core-shell particle using micro mixer showed better characteristics than those produced using batch reactor in different aspects such as homogeneity of the produced particles, particle size distribution and size, as core diameter 10nm particle size were obtained. The results showed that 10 nm core diameter were obtained using Micro mixer as compared to 80 nm core diameter in one-fourth the time required by using traditional batch reactor and high thickness of copper shell and good stability.

Keywords: nano iron, core-shell, reduction reaction, K-M reactor

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Authors: Bikram K. Das, Kalyan K. Chattopadhyay

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The advent of 2-D materials in the last decade has induced a fresh spur of growth in fuel cell technology as these materials have some highly promising traits that can be exploited to felicitate Oxygen Reduction Reaction (ORR) in an efficient way. Among the various 2-D carbon materials, graphyne (Gy) and graphdiyne (Gdy)1 with their intrinsic non-uniform charge distribution holds promises in this purpose and it is expected2 that substitutional Nitrogen (N) doping could further enhance their efficiency. In this regard, dispersive force corrected density functional theory is used to map the oxygen reduction reaction (ORR) kinetics of five different kinds of N doped graphyne and graphdiyne systems (namely αGy, βGy, γGy, RGy and 6,6,12Gy and Gdy) in alkaline medium. The best doping site for each of the Gy/ Gdy system is determined comparing the formation energies of the possible doping configurations. Similarly, the best di-oxygen (O₂) adsorption sites for the doped systems are identified by comparing the adsorption energies. O₂ adsorption on all N doped Gy/ Gdy systems is found to be energetically favorable. ORR on a catalyst surface may occur either via the Eley-Rideal (ER) or the Langmuir–Hinschelwood (LH) pathway. Systematic studies performed on the considered systems reveal that all of them favor the ER pathway. Further, depending on the nature of di-oxygen adsorption ORR can follow either associative or dissociative mechanism; the possibility of occurrence of both the mechanisms is tested thoroughly for each N doped Gy/ Gdy. For the ORR process, all the Gy/Gdy systems are observed to prefer the efficient four-electron pathway but the expected monotonically exothermic reaction pathway is found only for N doped 6,6,12Gy and RGy following the associative pathway and for N doped βGy, γGy and Gdy following the dissociative pathway. Further computation performed for these systems reveals that for N doped 6,6,12Gy, RGy, βGy, γGy and Gdy the overpotentials are 1.08 V, 0.94 V, 1.17 V, 1.21 V and 1.04 V respectively depicting N doped RGy is the most promising material, to carry out ORR in alkaline medium, among the considered ones. The stability of the ORR intermediate states with the variation of pH and electrode potentials is further explored with Pourbiax diagrams and the activities of these systems in the alkaline medium are compared with the prior reported B/N doped identical systems for ORR in an acidic medium in terms of a common descriptor.

Keywords: graphdiyne, graphyne, nitrogen-doped, ORR

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Authors: Shyh-Ming Chern, Wei-Ling Lin

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Lignin is a major constituent of woody biomass, and exists abundantly in nature. It is the major byproducts from the paper industry and bioethanol production processes. The byproducts are mainly used for low-valued applications. Instead, lignin can be converted into higher-valued gaseous fuel, thereby helping to curtail the ever-growing price of oil and to slow down the trend of global warming. Although biochemical treatment is capable of converting cellulose into liquid ethanol fuel, it cannot be applied to the conversion of lignin. Alternatively, it is possible to convert lignin into gaseous fuel thermochemically. In the present work, trans-4-hydroxycinnamic acid, a model compound for lignin, which closely resembles the basic building blocks of lignin, is gasified in an autoclave with ethanol at elevated temperatures and pressures, that are above the critical point of ethanol. Ethanol, instead of water, is chosen, because ethanol dissolves trans-4-hydroxycinnamic acid easily and helps to convert it into lighter gaseous species relatively well. The major operating parameters for the gasification reaction include temperature (673-873 K), reaction pressure (5-25 MPa) and feed concentration (0.05-0.3 M). Generally, more than 80% of the reactant, including trans-4-hydroxycinnamic acid and ethanol, were converted into gaseous products at an operating condition of 873 K and 5 MPa.

Keywords: ethanol, gasification, lignin, supercritical

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Authors: Yang Li, Mingkai Liu, Qiong Rao, Zhongrui Gai, Ying Pan, Hongguang Jin

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Hydrogen is an ideal and potential energy carrier due to its high energy efficiency and low pollution. An alternative and promising approach to hydrogen generation is the chemical looping steam reforming of methane (CL-SRM) over iron-based oxygen carriers. However, the process faces challenges such as high reaction temperature (>850 ℃) and low methane conversion. We demonstrate that Ni-mixed Fe-based oxygen carrier particles have significantly improved the methane conversion and hydrogen production rate in the range of 450-600 ℃ under atmospheric pressure. The effect on the reaction reactivity of oxygen carrier particles mixed with different Ni-based particle mass ratios has been determined in the continuous unit. More than 85% of methane conversion has been achieved at 600 ℃, and hydrogen can be produced in both reduction and oxidation steps. Moreover, the iron-based oxygen carrier particles exhibited good cyclic performance during 150 consecutive redox cycles at 600 ℃. The mid-temperature iron-based oxygen carrier particles, integrated with a moving-bed chemical looping system, might provide a powerful approach toward more efficient and scalable hydrogen production.

Keywords: chemical looping, hydrogen production, mid-temperature, oxygen carrier particles

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Authors: Rabih O. Al-Kaysi, Lingyan Zhu, Muhannah K. Al-Muhannah, Christopher J. Bardeen

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(E)-3-(Anthracen-9-yl)acrylic acid (9-AYAA) 1 exhibits a strong photomechanical response in bulk crystals but is challenging to grow in microcrystalline form. High quality microcrystals of this molecule could not be grown using techniques like sublimation, reprecipitation, and the floating drop method. If the tertbutyl ester of 9-AYAA is used as a starting material, however, high quality, size-uniform microwires could be grown via acid catalyzed hydrolysis. 9-AYAA microwires with uniform length and thickness were produced after a suspension of (E)-tert-butyl 3-(anthracen-9-yl)acrylate ester 2 microparticles was tumble-mixed in a mixture of phosphoric acid and sodium dodecyl sulfate at 35 °C. The dependence of the results on temperature, surfactant and precursor concentration, and mixing mode was investigated. This chemical reaction-growth method was extended to grow microplates of 9-anthraldehyde 3 using the corresponding acylal 4 as the starting material. Under 475 nm irradiation, the 9-AYAA microwires undergo a photoinduced coiling–uncoiling transition, while the 9-anthraldehyde microplates undergo a folding–unfolding transition.

Keywords: photomechanical, surfactant, organic crystals, uniform

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Authors: M. M. Moharam, E. M. Elsayed, M. M. Rashad

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Single phase Cu₂O films have been prepared via an electrodeposition technique onto ITO glass substrates at room temperature. Likewise, Cu₂O films were deposited using a potentiostatic process from an alkaline electrolyte containing copper (II) nitrate and 1M sodium citrate. Single phase Cu₂O films were electrodeposited at a cathodic deposition potential of 500mV for a reaction period of 90 min, and pH of 12 to yield a film thickness of 0.49 µm. The mechanism for nucleation of Cu₂O films was found to vary with deposition potential. Applying the Scharifker and Hills model at -500 and -600 mV to describe the mechanism of nucleation for the electrochemical reaction, the nucleation mechanism consisted of a mix between instantaneous and progressive growth mechanisms at -500 mV, while above -600 mV the growth mechanism was instantaneous. Using deposition times from 30 to 90 min at -500 mV deposition potential, pure Cu2O films with different microstructures were electrodeposited. Changing the deposition time from 30 to 90 min varied the microstructure from cubic to more complex polyhedra. The transmittance of electrodeposited Cu₂O films ranged from 20-70% in visible range, and samples exhibited a 2.4 eV band gap. The electrical resistivity for electrodeposited Cu₂O films was found to decrease with increasing deposition time from 0.854 x 105 Ω-cm at 30 min to 0.221 x 105 Ω-cm at 90 min without any thermal treatment following the electrodeposition process.

Keywords: Cu₂O, electrodeposition, film thickness, characterization, optical properties

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Authors: Feng-Sheng Wang, Chao-Ting Cheng

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Developing a drug from conception to launch is costly and time-consuming. Computer-aided methods can reduce research costs and accelerate the development process during the early drug discovery and development stages. This study developed a fuzzy multi-objective hierarchical optimization framework for identifying potential anticancer targets in a metabolic model. First, RNA-seq expression data of colorectal cancer samples and their healthy counterparts were used to reconstruct tissue-specific genome-scale metabolic models. The aim of the optimization framework was to identify anticancer targets that lead to cancer cell death and evaluate metabolic flux perturbations in normal cells that have been caused by cancer treatment. Four objectives were established in the optimization framework to evaluate the mortality of cancer cells for treatment and to minimize side effects causing toxicity-induced tumorigenesis on normal cells and smaller metabolic perturbations. Through fuzzy set theory, a multiobjective optimization problem was converted into a trilevel maximizing decision-making (MDM) problem. The applied nested hybrid differential evolution was applied to solve the trilevel MDM problem using two nutrient media to identify anticancer targets in the genome-scale metabolic model of colorectal cancer, respectively. Using Dulbecco’s Modified Eagle Medium (DMEM), the computational results reveal that the identified anticancer targets were mostly involved in cholesterol biosynthesis, pyrimidine and purine metabolisms, glycerophospholipid biosynthetic pathway and sphingolipid pathway. However, using Ham’s medium, the genes involved in cholesterol biosynthesis were unidentifiable. A comparison of the uptake reactions for the DMEM and Ham’s medium revealed that no cholesterol uptake reaction was included in DMEM. Two additional media, i.e., a cholesterol uptake reaction was included in DMEM and excluded in HAM, were respectively used to investigate the relationship of tumor cell growth with nutrient components and anticancer target genes. The genes involved in the cholesterol biosynthesis were also revealed to be determinable if a cholesterol uptake reaction was not induced when the cells were in the culture medium. However, the genes involved in cholesterol biosynthesis became unidentifiable if such a reaction was induced.

Keywords: Cancer metabolism, genome-scale metabolic model, constraint-based model, multilevel optimization, fuzzy optimization, hybrid differential evolution

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Authors: M. Ebrahimi, E. Maroufyan, M. Shakeri, E. Oskoueian, A. F Soleimani, Y. M. Goh

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Lipid peroxidation is a main reason of low quality in meat and meat products. The free radical chain reaction is the major process of lipid peroxidation and reactive oxygen species (ROS) such as hydroxyl radical and hydroperoxyl radical are the main starter of the chain reaction. Papaya leaf contains several secondary metabolites which can be used as a potential antioxidant in broiler feed. Hence, this research was carried out to evaluate the potential of papaya leaf to prevent lipid peroxidation and enhance the antioxidant activity of breast meat of broiler chicken. The results showed that supplementation of papaya leaf at 5%, significantly (p < 0.05) reduced the lipid peroxidation compared to control group. The supplementation of papaya leaf prevented from lipid peroxidation and enhanced the antioxidant activity of the broiler breast meat significantly (p < 0.05) after different storage periods. Papaya leaf reduced the lipid oxidation of meat during storage with strong free radical-scavenging ability. In conclusion, supplementation of papaya leaf in broiler diet to have high quality meat is recommended.

Keywords: antioxidant activity, papaya leaf, breast meat, lipid peroxidation

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Authors: Jamshid Hussain, Kuen Song Lin

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For prospective applications, chemists and materials scientists are particularly interested in creating 3D-micro/nanocomposite structures with shapes and unique characteristics. Ceria has recently been produced with a variety of morphologies, including one-dimensional structures (nanoparticles, nanorods, nanowires, and nanotubes). It is anticipated that this material can be used in different fields, such as catalysis, methanol decomposition, carbon monoxide oxidation, optical materials, and environmental protection. Distinct three-dimensional hydrated ceria-BTC (CeO₂-1,3,5-Benzenetricarboxylic-acid) microstructures were successfully synthesized via a hydrothermal route in an aqueous solution. FE-SEM and XRD patterns reveal that a ceria-BTC framework diameter and length are approximately 1.45–2.4 and 5.5–6.5 µm, respectively, at 130 oC and with pH 2 for 72 h. It was demonstrated that the reaction conditions affected the 3D ceria-BTC architecture. The hexagonal ceria-BTC microrod comprises organic linkers, which are transformed into hierarchical ceria microrod in the presences of air at 400 oC was confirmed by Fourier transform infrared spectroscopy. The Ce-O bonding of the hierarchical ceria microrod (HCMs) species has a bond distance and coordination number of 2.44 and 6.89, respectively, which attenuates the EXAFS spectra. Compared to the ceria powder, the HCMs produced more oxygen vacancies and Ce3+ as shown by the XPS and XANES/EXAFS analyses.

Keywords: hierarchical ceria microrod, three-dimensional ceria, methanol decomposition, reaction mechanism, XANES/EXAFS

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Authors: Nhan N. T. Ton, Anh T. N. Dao, Kouichirou Katou, Toshiaki Taniike

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Facile electron-hole recombination and the broad band gap are two major drawbacks of titanium dioxide (TiO₂) when applied in visible-light photocatalysis. Hybridization of TiO₂ with graphene is a promising strategy to lessen these pitfalls. Recently, there have been many reports on the synthesis of TiO₂/graphene nanocomposites, in most of which graphene oxide (GO) was used as a starting material. However, the reduction of GO introduced a large number of defects on the graphene framework. In addition, the sensitivity of titanium alkoxide to water (GO usually contains) significantly obstructs the uniform and controlled growth of TiO₂ on graphene. Here, we demonstrate a novel technique to synthesize TiO₂/graphene nanocomposites without the use of GO. Graphene dispersion was obtained through the chemical exfoliation of graphite in titanium tetra-n-butoxide with the aid of ultrasonication. The dispersion was directly used for the sol-gel reaction in the presence of different catalysts. A TiO₂/reduced graphene oxide (TiO₂/rGO) nanocomposite, which was prepared by a solvothermal method from GO, and the commercial TiO₂-P25 were used as references. It was found that titanium alkoxide afforded the graphene dispersion of a high quality in terms of a trace amount of defects and a few layers of dispersed graphene. Moreover, the sol-gel reaction from this dispersion led to TiO₂/graphene nanocomposites featured with promising characteristics for visible-light photocatalysts including: (I) the formation of a TiO₂ nano layer (thickness ranging from 1 nm to 5 nm) that uniformly and thinly covered graphene sheets, (II) a trace amount of defects on the graphene framework (low ID/IG ratio: 0.21), (III) a significant extension of the absorption edge into the visible light region (a remarkable extension of the absorption edge to 578 nm beside the usual edge at 360 nm), and (IV) a dramatic suppression of electron-hole recombination (the lowest photoluminescence intensity compared to reference samples). These advantages were successfully demonstrated in the photocatalytic decomposition of methylene blue under visible light irradiation. The TiO₂/graphene nanocomposites exhibited 15 and 5 times higher activity than TiO₂-P25 and the TiO₂/rGO nanocomposite, respectively.

Keywords: chemical exfoliation, photocatalyst, TiO₂/graphene, sol-gel reaction

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Authors: M. Osman Gani, M. Ferdows, Toshiyuki Ogawa

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In this work, we proposed a modified FHN-type reaction-diffusion system for a bistable excitable system by adding a scaled function obtained from a given function. We study the existence and the stability of the periodic traveling waves (or wavetrains) for the FitzHugh-Nagumo (FHN) system and the modified one and compare the results. The stability results of the periodic traveling waves (PTWs) indicate that most of the solutions in the fast family of the PTWs are stable for the FitzHugh-Nagumo equations. The instability occurs only in the waves having smaller periods. However, the smaller period waves are always unstable. The fast family with sufficiently large periods is always stable in FHN model. We find that the oscillation of pulse widths is absent in the standard FHN model. That motivates us to study the PTWs in the proposed FHN-type reaction-diffusion system for the bistable excitable media. A good agreement is found between the solutions of the traveling wave ODEs and the corresponding whole PDE simulation.

Keywords: bistable system, Eckhaus bifurcation, excitable media, FitzHugh-Nagumo model, periodic traveling waves

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Authors: Ali Amiri, Arash Esfandiari, Elham Zarenezhad

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We report here an efficient and rapid method for the preparation of 3,4-dihydro-1H-quinoxalin-2-ones and 1H‑quinolin-2-ones that involves grinding of o-, m-, or p‑phenylenediamine and three dialkyl acetylenedicarboxylates using a pestle and mortar. This solvent-free approach requires only a few minutes of reaction time. This type of reaction is expected to be the most economical method since neither catalyst nor solvent is used. Finally, all synthesised compounds were screened for antimicrobial activity against two Gram-positive bacteria (Pseudomonas aeruginosa PTCC 1077, Escherichia coli PTCC1330) and two Gram-negative bacteria (Staphylococcus aureus PTCC 1133, Bacillus cereus PTCC 1015) and their activity. Compared with gentamycin and ampicillin as reference drugs for Gram-negative and Gram-positive bacteria, respectively. The minimum inhibitory concentration (MIC) of the synthesised compounds and reference drugs were determined by the microdilution method. Good antibacterial activity was observed for 3,4-dihydro-1H-quinoxalin-2-ones against all species of Gram-positive and Gram-negative bacteria, and1H‑quinolin-2-ones showed good antibacterial activity against two Gram-positive bacteria.

Keywords: quinolin, quinoxalin, anti-bacterial activity, minimum inhibitory concentration (MIC)

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Authors: Yashaswini Channabasavegowda, Hema Nagaraj

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Aim: The current study aims at discovering word-class deficits concerning the noun-verb ratio in confrontation naming, picture description, and picture-word matching tasks. A total of ten persons with aphasia (PWA) and ten age-matched neurotypical individuals (NTI) were recruited for the study. The research includes both behavioural and objective measures to assess the word class deficits in PWA. Objective: The main objective of the research is to identify word class deficits seen in persons with aphasia, using various speech eliciting tasks. Method: The study was conducted in the L1 of the participants, considered to be Kannada. Action naming test and Boston naming test adapted to the Kannada version are administered to the participants; also, a picture description task is carried out. Picture-word matching task was carried out using e-prime software (version 2) to measure the accuracy and reaction time with respect to identification verbs and nouns. The stimulus was presented through auditory and visual modes. Data were analysed to identify errors noticed in the naming of nouns versus verbs, with respect to the Boston naming test and action naming test and also usage of nouns and verbs in the picture description task. Reaction time and accuracy for picture-word matching were extracted from the software. Results: PWA showed a significant difference in sentence structure compared to age-matched NTI. Also, PWA showed impairment in syntactic measures in the picture description task, with fewer correct grammatical sentences and fewer correct usage of verbs and nouns, and they produced a greater proportion of nouns compared to verbs. PWA had poorer accuracy and lesser reaction time in the picture-word matching task compared to NTI, and accuracy was higher for nouns compared to verbs in PWA. The deficits were noticed irrespective of the cause leading to aphasia.

Keywords: nouns, verbs, aphasia, naming, description

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Authors: Mohsin Ejaz, Shiao-Wei Kuo

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The growing production and exploitation of fossil fuels have placed human society in serious environmental issues. As a result, it's critical to design efficient and eco-friendly energy production and storage techniques. Porous organic polymers (POPs) are multi-dimensional porous network materials developed through the formation of covalent bonds between different organic building blocks that possess distinct geometries and topologies. POPs have tunable porosities and high surface area making them a good candidate for an effective electrode material in energy storage applications. Herein, we prepared a fully benzoxazine-based porous organic polymers (TPA–DHTP–BZ POP) through sonogashira coupling of dihydroxyterephthalaldehyde (DHPT) and triphenylamine (TPA) containing benzoxazine (BZ) monomers. Firstly, both BZ monomers (TPA-BZ-Br and DHTP-BZ-Ea) were synthesized by three steps, including Schiff base, reduction, and mannich condensation reaction. Finally, the TPA–DHTP–BZ POP was prepared through the sonogashira coupling reaction of brominated monomer (TPA-BZ-Br) and ethynyl monomer (DHTP-BZ-Ea). Fourier transform infrared (FTIR) and solid-state nuclear magnetic resonance (NMR) spectroscopy confirmed the successful synthesis of monomers as well as POP. The porosity of TPA–DHTP–BZ POP was investigated by the N₂ absorption technique and showed a Brunauer–Emmett–Teller (BET) surface area of 196 m² g−¹, pore size 2.13 nm and pore volume of 0.54 cm³ g−¹, respectively. The TPA–DHTP–BZ POP experienced thermal ring-opening polymerization, resulting in poly (TPA–DHTP–BZ) POP having strong inter and intramolecular hydrogen bonds formed by phenolic groups and Mannich bridges, thereby enhancing CO₂ capture and supercapacitive performance. The poly(TPA–DHTP–BZ) POP demonstrated a remarkable CO₂ capture of 3.28 mmol g−¹ and a specific capacitance of 67 F g−¹ at 0.5 A g−¹. Thus, poly(TPA–DHTP–BZ) POP could potentially be used for energy storage and CO₂ capture applications.

Keywords: porous organic polymer, benzoxazine, sonogashira coupling, CO₂, supercapacitor

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Authors: Dong Xie, Jun Zhao, Yiming Weng

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One of the challenges in dental cement biomaterials is how to make a restorative with mechanical strengths and wear resistance that are comparable to contemporary dental resin composites. Currently none of the dental cement restoratives has been used in high stress-bearing sites due to their low mechanical strengths and poor wear-resistance. The objective of this study was to synthesize and characterize the poly(alkenoic acid)s with different molecular structures, use these polymers to formulate a dental cement restorative, and study the effect of molecular structures on reaction kinetics, viscosity, and mechanical strengths of the formed polymers and cement restoratives. In this study, poly(alkenoic acid)s with different molecular structures were synthesized. The purified polymers were formulated with commercial Fuji II LC glass fillers to form the experimental cement restoratives. The reaction kinetics was studied via 1HNMR spectroscopy. The formed restoratives were evaluated using compressive strength, diametral tensile strength, flexural strength, hardness and wear-resistance tests. Specimens were conditioned in distilled water at 37 oC for 24 h prior to testing. Fuji II LC restorative was used as control. The results show that the higher the arm number and initiator concentration, the faster the reaction was. It was also found that the higher the arm number and branching that the polymer had, the lower the viscosity of the polymer in water and the lower the mechanical strengths of the formed restorative. The experimental restoratives were 31-53% in compressive strength, 37-55% in compressive modulus, 80-126% in diametral tensile strength, 76-94% in flexural strength, 4-21% in fracture toughness and 53-96% in hardness higher than Fuji II LC. For wear test, the experimental restoratives were only 5.4-13% of abrasive and 6.4-12% of attritional wear depths of Fuji II LC in each wear cycle. The aging study also showed that all the experimental restoratives increased their strength continuously during 30 days, unlike Fuji II LC. It is concluded that polymer molecular structures have significant and positive impact on mechanical properties of dental cement restoratives.

Keywords: dental materials, polymers, strength, biomaterials

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Authors: Nacim Khelil, Amar Kahil, Said Boukais

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The aim of the present study is to investigate the changes in the mechanical properties of mortars including additions of Condensed Silica Fume (CSF), Hydrated Lime (CH) or both at various amounts (5% to 15% of cement replacement) and high water ratios (w/b) (0.4 to 0.7). The physical and mechanical changes in the mixes were evaluated using non-destructive tests (Ultrasonic Pulse Velocity (UPV)) and destructive tests (crushing tests) on 28 day-long specimens consecutively, in order to assess CSF and CH replacement rate influence on the mechanical and physical properties of the mortars, as well as CSF-CH pre-mixing on the improvement of these properties. A significant improvement of the mechanical properties of the CSF, CSF-CH mortars, has been noted. CSF-CH mixes showed the best improvements exceeding 50% improvement, showing the sizable pozzolanic reaction contribution to the specimen strength development. UPV tests have shown increased velocities for CSF and CSH mixes, however no proportional evolution with compressive strengths could be noted. The results of the study show that CSF-CH addition could represent a suitable solution to significantly increase the mechanical properties of mortars.

Keywords: compressive strength, condensed silica fume, hydrated lime, pozzolanic reaction, UPV testing

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Authors: Ghulam Mustafa Peerzada, Shagufta Rashid, Nadeem Bashir

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These the influence of initial reagent concentrations on the Belousov-Zhabotinsky (BZ) system with Mn2+/Mn3+ as redox catalyst, inorganic bromate as oxidant and pyrogallol as organic substrate was studied. The reactions were monitored by potentiometery in oxidation reduction potential (ORP) mode. The aforesaid reagents were mixed with varying concentrations to evolve the optimal concentrations at which the reaction system exhibited better oscillations. The various oscillatory parameters such as induction period (tin), time period (tp), frequency (v), amplitude (A) and number of oscillations (n) were derived and the dependence of concentration of the reacting species on these oscillatory parameters was interpreted on the basis of the Field-Koros-Noyes mechanism. Ferroin based BZ system with pyrogallol as organic substrate was optimized under CSTR condition at temperature of 30±0.1oC Effect of molecules like monomer and polymer as additives to the system was checked and their interaction with the system was also studied. It has been observed that the monomer affects the time period, while the polymer has its effect on the amplitude of oscillations because of monomer’s interaction with the bromine and polymer’s with that of the Ferroin.

Keywords: Belousov Zhabotinsky reaction, oscillatory parameters, polymer, pyrogallol

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Authors: Mohammed Aliyu, Kazunori Iwabuchi, Ibrahim Shaba Mohammed, Abubakar Sadeeq Mohammed, Solomon Musa Dauda, Zinash Delebo Osunde

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Hydrothermal carbonization (HTC) is recognised as a low temperature and effective technique for the conversion of biomass to solid biofuel. In this study, the effect of process temperature and biomass-to-water ratio (B/W) on the fuel properties of hydrochar produced from wood shavings was investigated. HTC was conducted in an autoclave using reaction temperature of 230 °C and 260 °C for 20 minutes with B/W ratio of 0.11 to 0.43. The produced hydrochars were characterised by the mass yield (MY), higher heating value (HHV), proximate and ultimate properties. The results showed that the properties of the hydrochars improved with increasing process temperature and B/W ratio. The higher heating value (HHV) increased to 26.74 MJ/kg as the severity of the reaction was increased to the process temperature of 260 °C. Also, the atomic H/C and O/C ratios of hydrochars produced at 230 °C and 260 °C were closed to the regions of a peat and lignite on the plotted van Krevelen diagram. Hence, the produced hydrochar has a promising potential as a sustainable solid biofuel for energy application.

Keywords: wood shavings, biomass/water ratio, thermochemical conversion, hydrothermal carbonization, hydrochar

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Authors: Weic-Ting Chen, Jo-Ming Tseng

Abstract:

Ammonium nitrate (AN) has caused many accidents in the world, which have caused a large number of people’s life and serious economic losses. In this study, the safety of the AN production process was discussed deeply, and the influence of incompatible substances was estimated according to the change of their heat value by mixing them with incompatible substances by thermal analysis techniques, and their safety parameters were calculated according to their kinetic parameters. In this study, differential scanning calorimeters (DSC) were applied for the temperature rise test and adiabatic thermal analysis in combination with the Advanced Reactive System Screening Tool (ARSST). The research results could contribute to the safety of the ammonium nitrate production process. Manufacturers can better understand the possibility of chemical heat release and the operating conditions that will cause a chemical reaction to be out of control when storing or adding new substances, so safety parameters were researched for these complex reactions. The results of this study will benefit the process of AN and the relevant staff, which also have safety protection in the working environment.

Keywords: ammonium nitrate, incompatible substances, differential scanning calorimeters, advanced reactive system screening tool, safety parameters

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Authors: Fatimah A. Alhomaid

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The present study was planned to investigate the role of molecular changes and immunohistochemical in early detection of liver cancer in Saudi patients. our results were carried out on 54 patients liver cancer. We obtained our data from laboratory in King Khalid University Hospital. The specimens were taken (54) patients with liver cancer 34 male and 14 female and 2 control. The average age of varied from 37-85 years. The tumor was diagnosed as grade I in tow patients (male and female) and grade 2 in 45 patients (28 male and 17 female) while the grade 3 in 4 patients (all males). The specimens were processed for haematoxylin and eosin staining, immunohistochemical technique and flow cytometry analysis. Our study noted that most patients had adenocarcinoma which characterized by presence of signet-ring cells were very clear in advanced patients with adenocarcinoma. Our sections in adenocarcinoma in grade 2 and stage 3 had an increase in signet ring cells,an increase in the acini of glands and an increase in number of lymphocytes which spread to the muscular layer. With advancing the disease, there were haemorrhage in blood and increase in lymphocytes and increase in the number of nuclei in the tubular glands. Our study was carried on 48 patients, immunohistochemical diagnosis (CK20, PCNA, P53) and the analysis of DNA content by flow cytometry technique. Our study indicated that the presence of correlation between the immunohistochemical analysis for P53 and the grades. The reaction of P53 appeared as strong in nucleus in grades &stage 3 and appeared in other sections as dark brown pigment. Our study indicated that the absence of correlation between the immunohistochemical analysis for PCAN and the grades. In our sections there were strong reaction in the more 80% of nuclei in grade 1& stage 2. Our study indicated that the presence of correlation between the immunohistochemical analysis for CK20 and the grades. Our results indicated the presence of positive reaction in cytoplasm varied from weak to moderate in grade 3 & stage 4. Concerning the Flow cytometry technique our results indicated that the presence of correlation between the DNA and different stages of liver cancer.

Keywords: cancer, CK20, DNA, cytometry analysis, liver, immunohistochemical, molecular changes, PCNA, p53

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Authors: Silviya Todorova, Anton Naydenov, Ralitsa Velinova, Alexander Larin

Abstract:

Catalytic combustion of methane has been extensively investigated for emission control and power generation during the last decades. The alumina-supported palladium catalyst is widely accepted as the most active catalysts for catalytic combustion of methane. The activity of Pd/Al₂O₃ decreases during the time on stream, especially underwater vapor. The following order of activity in the reaction of complete oxidation of methane was established: Co₃O₄> CuO>NiO> Mn₂O₃> Cr₂O₃. It may be expected that the combination between Pd and these oxides could lead to the promising catalysts in the reaction of complete methane. In the present work, we investigate the activity of Pd/Al₂O₃ catalysts promoted with other metal oxides (MOx; M= Ni, Co, Ce). The Pd-based catalysts modified by metal oxide were prepared by sequential impregnation of Al₂O₃ with aqueous solutions of Me(NO₃)₂.6H₂O and Pd(NO₃)₂H₂O. All samples were characterized by X-ray diffraction (XRD), temperature-programmed reduction (TPR), and X-ray photoelectron spectroscopy (XPS). An improvement of activity was observed after modification with different oxides. The results demonstrate that the Pd/Al₂O₃ catalysts modified with Co and Ce by impregnation with a common solution of respective salts, exhibit the most promising catalytic activity for methane oxidation. Most probably, the presence of Co₃O₄ and CeO₂ on catalytic surface increases surface oxygen and therefore leads to the better reactivity in methane combustion.

Keywords: methane combustion, palladium, Co-Ce, Ni-Ce

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Authors: Sunil Kumar, Sandip Dhole, Deepak Salunke, Chung-ming Sun

Abstract:

Heterocycles bearing nitrogen, oxygen, and selenium are present in innumerable biologically active compounds. For instance, coumarin containing dicoumarol acts as naturally occurring anticoagulant. 2-Acylamido selenazole works as Store-Operated Calcium (SOC) channel regulator. Therefore, due to biologically significance of selenazole and coumarin and our quest to develop efficient methodologies for the synthesis of complex heterocycles, the trisubstituted angular isocoumarinoselenazole synthesis was proposed and achieved by starting from nitrobenzoic acid derivative, available commercially. Synthetic procedure involves three steps: i) the construction of 2-aminobenzoselenazoles, ii) their regioselective N-alkylation at position-2 and iii) alkyne insertion via Ru catalyzed C-H activation. Transition metal free synthesis of benzoselenazoles was successfully brought about by the addition/elimination reaction via intramolecular C-Se bond formation. In the next step, N-alkylation of selenazole furnished two regioisomers. Both the isomers exhibited different reactivity towards [4+2] alkyne annulation reaction. The fusion of α-pyrone ring on the benzo[1,3-d]selenazole skeleton was achieved via Ru(II)-catalyzed C-H activation and alkyne insertion. As evident from mechanism, the selenazole 'N' plays an important role for the experiential selectivity.

Keywords: alkylation, alkyne insertion, coumarin, selenazole

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Authors: Kyohei Yoshino, Masahiko Matsumiya, Yuji Sasaki

Abstract:

Recently, studies have been conducted on Au(III) extraction using ionic liquids (ILs) as extractants or diluents. ILs such as piperidinium, pyrrolidinium, and pyridinium have been studied as extractants for noble metal extractions. Furthermore, the polarity, hydrophobicity, and solvent miscibility of these ILs can be adjusted depending on their intended use. Therefore, the unique properties of ILs make them functional extraction media. The extraction mechanism of Au(III) using phosphonium-based ILs and relevant thermodynamic studies are yet to be reported. In the present work, we focused on the mechanism of Au(III) extraction and related thermodynamic analyses using phosphonium-based ILs. Triethyl-n-pentyl, triethyl-n-octyl, and triethyl-n-dodecyl phosphonium bis(trifluoromethyl-sulfonyl)amide, [P₂₂₂ₓ][NTf₂], (X = 5, 8, and 12) were investigated for Au(III) extraction. The IL–Au complex was identified as [P₂₂₂₅][AuCl₄] using UV–Vis–NIR and Raman spectroscopic analyses. The extraction behavior of Au(III) was investigated with a change in the [P₂₂₂ₓ][NTf₂]IL concentration from 1.0 × 10–4 to 1.0 × 10–1 mol dm−3. The results indicate that Au(III) can be easily extracted by the anion-exchange reaction in the [P₂₂₂ₓ][NTf₂]IL. The slope range 0.96–1.01 on the plot of log D vs log[P₂₂₂ₓ][NTf2]IL indicates the association of one mole of IL with one mole of [AuCl4−] during extraction. Consequently, [P₂₂₂ₓ][NTf₂] is an anion-exchange extractant for the extraction of Au(III) in the form of anions from chloride media. Thus, this type of phosphonium-based IL proceeds via an anion exchange reaction with Au(III). In order to evaluate the thermodynamic parameters on the Au(III) extraction, the equilibrium constant (logKₑₓ’) was determined from the temperature dependence. The plot of the natural logarithm of Kₑₓ’ vs the inverse of the absolute temperature (T–1) yields a slope proportional to the enthalpy (ΔH). By plotting T–1 vs lnKₑₓ’, a line with a slope range 1.129–1.421 was obtained. Thus, the result indicated that the extraction reaction of Au(III) using the [P₂₂₂ₓ][NTf₂]IL (X=5, 8, and 12) was exothermic (ΔH=-9.39〜-11.81 kJ mol-1). The negative value of TΔS (-4.20〜-5.27 kJ mol-1) indicates that microscopic randomness is preferred in the [P₂₂₂₅][NTf₂]IL extraction system over [P₂₂₂₁₂][NTf₂]IL. The total negative alternation in Gibbs energy (-5.19〜-6.55 kJ mol-1) for the extraction reaction would thus be relatively influenced by the TΔS value on the number of carbon atoms in the alkyl side length, even if the efficiency of ΔH is significantly influenced by the total negative alternations in Gibbs energy. Electrochemical analysis revealed that extracted Au(III) can be reduced in two steps: (i) Au(III)/Au(I) and (ii) Au(I)/Au(0). The diffusion coefficients of the extracted Au(III) species in [P₂₂₂ₓ][NTf₂] (X = 5, 8, and 12) were evaluated from 323 to 373 K using semi-integral and semi-differential analyses. Because of the viscosity of the IL medium, the diffusion coefficient of the extracted Au(III) increases with increasing alkyl chain length. The 4f7/2 spectrum based on X-ray photoelectron spectroscopy revealed that the Au electrodeposits obtained after 10 cycles of continuous extraction and electrodeposition were in the metallic state.

Keywords: au(III), electrodeposition, phosphonium-based ionic liquids, solvent extraction

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Authors: O. Mowla, E. Kennedy, M. Stockenhuber

Abstract:

Finding alternative renewable resources of energy has attracted the attentions in consequence of limitation of the traditional fossil fuel resources, increasing of crude oil price and environmental concern over greenhouse gas emissions. Biodiesel (or Fatty Acid Methyl Esters (FAME)), an alternative energy source, is synthesised from renewable sources such as vegetable oils and animal fats and can be produced from waste oils. FAME can be produced via hydroesterification of oils. The process involves two stages. In the first stage of this process, fatty acids and glycerol are being obtained by hydrolysis of the feed stock oil. In the second stage, the recovered fatty acids are then esterified with an alcohol to methyl esters. The presence of a catalyst accelerates the rate of the hydroesterification reaction of oils. The overarching aim of this study is to find the effect of using zeolite as a catalyst in the heterogeneous hydroesterification of soybean oil. Both stages of the catalytic hydroesterification of soybean oil had been conducted at atmospheric and high-pressure conditions using reflux glass reactor and Parr reactor, respectively. The effect of operating parameters such as temperature and reaction time on the overall yield of biodiesel formation was also investigated.

Keywords: biodiesel, heterogeneous catalytic hydroesterification, soybean oil, zeolite

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