This study aims to improve the quality of fuel with high calorific value namely Sfuel - a commercial high-quality refuse-derived fuel (RDF) from hazardous waste via modifying the process design and operating parameters of thermal conversion process. The study analyses key parameters of RDF quality, such as calorific value and heavy metal content, before and after process modifications based on the combination of experimental and simulation using Aspen Plus. In this study, the temperature and pressure of the simulation system are varied from 100 to 700 °C and from 1 to 5 bar, respectively. Findings indicate that there are a total of eleven heavy metals and 179 volatile compounds in the "Sfuels". The quality of the targeted product is greatly improved by the metal evaporation at high temperatures and pressures. However, the calorific value of RDF significantly decreases at 700 °C due to a large amount of the carbon content being evaporated. Although the carbon content at high temperatures is significantly lost, the heat from the vapour stream reactor outlet, which is reused to preheat the nitrogen gas stream supplied to the system, reduces energy consumption while improving the thermal conversion efficiency of the system. Besides, low pressure along with high temperature are not the optimal conditions for quality Sfuels improvement by thermal conversion. Results also indicate that electric heating is more economically efficient than natural gas heating.
Increased reports of oseltamivir (OTV)-resistant strains of the influenza virus, such as the H274Y mutation on its neuraminidase (NA), have created some cause for concern. Many studies have been conducted in the attempt to uncover the mechanism of OTV resistance in H274Y NA. However, most of the reported studies on H274Y focused only on the drug-bound system, so the direct effects of the mutation on NA itself prior to drug binding still remain unclear. Therefore, molecular dynamics simulations of NA in apo form, followed by principal component analysis and interaction energy calculations, were performed to investigate the structural changes of the NA binding site as a result of the H274Y mutation. It was observed that the disruption of the NA binding site due to the H274Y mutation was initiated by the repulsive effect of Y274 on the 250-loop, which in turn altered the hydrogen-bonding network around residue 274. The rotated W295 side chain caused the upward movement of the 340-loop. Consequently, sliding box docking results suggested that the binding pathway of OTV was compromised because of the disruption of this binding site. This study also highlighted the importance of the functional group at C6 of the sialic acid mimicry. It is hoped that these results will improve the understanding of OTV resistance and shed some light on the design of a novel anti-influenza drug.
ProBiS is a new method to identify the binding site of protein through local structural alignment against the nonredundant Protein Data Bank (PDB), which may result in unique findings compared to the energy-based, geometry-based, and sequence-based predictors. In this work, binding sites of Hemagglutinin (HA), which is an important target for drugs and vaccines in influenza treatment, have been revisited by ProBiS. For the first time, the identification of conserved binding sites by local structural alignment across all subtypes and strains of HA available in PDB is presented. ProBiS finds three distinctive conserved sites on HA's structure (named Site 1, Site 2, and Site 3). Compared to other predictors, ProBiS is the only one that accurately defines the receptor binding site (Site 1). Apart from that, Site 2, which is located slightly above the TBHQ binding site, is proposed as a potential novel conserved target for membrane fusion inhibitor. Lastly, Site 3, located around Helix A at the stem domain and recently targeted by cross-reactive antibodies, is predicted to be conserved in the latest H7N9 China 2013 strain as well. The further exploration of these three sites provides valuable insight in optimizing the influenza drug and vaccine development.
Environmental applications of graphene (GN) are limited by the occurrence of aggregation. Herein, graphene oxide (GO) was synthesized, reduced to GN by ascorbic acid, and intercalated with cetyltrimethylammonium bromide (CTAB). GN-CTAB was characterized by Boehm's titration, N2 adsorption/desorption, Fourier transform infrared spectroscopy, Raman spectroscopy, Fluorescence spectrophotometry, X-ray diffraction and Scanning electron microscopy. Then, GN-CTAB was used for the adsorptive removal of acid red 265 (AR265) and acid orange 7 (AO7) dyes from water both under batch and column operation. Under batch operation, the effect of pH, adsorbent dosage, initial dye concentration, contact time and temperature on dyes adsorption were assessed. Adsorption isotherms, kinetics, and thermodynamics were analyzed systematically. Regarding the fixed bed operation, the effect of both the bed height and flow rate were studied and experimental results fitted to the Thomas and BDST models. Then, the bed loss capacity along five adsorption-regeneration cycles was determined in order to further approach the practical application of GN-CTAB for wastewater treatment, namely for the removal of dyes.
An emerging contaminant of concern in aqueous streams is naproxen. Due to its poor solubility, non-biodegradability, and pharmaceutically active nature, the separation is challenging. Conventional solvents employed for naproxen are toxic and harmful. Ionic liquids (ILs) have attracted great attention as greener solubilizing and separating agent for various pharmaceuticals. ILs have found extensive usage as solvents in nanotechnological processes involving enzymatic reactions and whole cells. The employment of ILs can enhance the effectiveness and productivity of such bioprocesses. To avoid cumbersome experimental screening, in this study, conductor like screening model for real solvents (COSMO-RS) was used to screen ILs. Thirty anions and eight cations from various families were chosen. Activity coefficient at infinite dilution, capacity, selectivity, performance index, molecular interactions using σ-profiles and interaction energies were used to make predictions about solubility. According to the findings, quaternary ammonium cations, highly electronegative, and food-grade anions will form excellent ionic liquid combinations for solubilizing naproxen and hence will be better separating agents. This research will contribute easy designing of ionic liquid-based separation technologies for naproxen. In different separation technologies, ionic liquids can be employed as extractants, carriers, adsorbents, and absorbents.
Processing of soybeans to other products and consumption of soy products is increasing worldwide mainly due to acclaimed health benefits. Processing can alter soybean sensory appeal, nutritive value and potentially affect consumer health. Rhizopus oligosporus was used to ferment soybean for 3 days. The tempeh flour (TF) was produced form tempeh while defatted tempeh flour (DTF) was then produced from TF by immersing in hexane solvent while soy protein isolate (SPI) was prepared from DTF by using alkali and acid followed by neutralization treatment. In this study, nutritional properties and amino acid content of tempeh, TF, DTF and SPI were determined. Therefore, the objective of this study is was to evaluate the effect of each treatment on the chemical composition and amino acid content for all the samples. The results showed that the nutritional properties (total ash, moisture, crude fat, total carbohydrate and crude fibre) were reduced significantly (p < 0.05) except for protein content. Protein content was significantly (p < 0.05) increased by 50.5% in SPI. For amino acid content, the results obtained showed that SPI contain highest amount of essential and non-essential amino acid followed by DTF, Tempeh and TF. Glutamic acid was found to be the highest amino acid component in all samples. The evaluation from the results showed that SPI can be considered as potential functional food ingredients.
The rapid increase in the global population and its ever-rising standards of living are imposing a huge burden on global resources. Apart from the rising energy needs, the demand for freshwater is correspondingly increasing. A population of around 3.8 billion people will face water scarcity by 2030, as per the reports of the World Water Council. This may be due to global climate change and the deficiency in the treatment of wastewater. Conventional wastewater treatment technologies fail to completely remove several emerging contaminants, especially those containing pharmaceutical compounds. Hence, leading to an increase in the concentration of harmful chemicals in the human food chain and the proliferation of several diseases. MXenes are transition metal carbide/nitride ceramics that primarily structure the leading 2D material group. MXenes act as novel nanomaterials for wastewater treatment due to their high surface area, excellent adsorption properties, and unique physicochemical properties, such as high electrical conductivity and hydrophilicity. MXenes are highly hydrophilic and covered with active functional groups (i.e., hydroxyl, oxygen, fluorine, etc.), which makes them efficient adsorbents for a wide range of species and promising candidates for environmental remediation and water treatment. This work concludes that the scaling up process of MXene-based materials for water treatment is currently of high cost. The up-to-date applications are still limited because MXenes are currently produced mainly in the laboratory with limited yield. It is recommended to direct research efforts towards lower synthesis cost procedures coupled with the use of more environmentally friendly materials to avoid secondary contamination.
Strict environmental concerns, depleting natural recourses, and rising demand for building construction materials have promoted scientific research toward alternative building materials. This research supports the idea of sustainability and a circular economy via the utilization of waste to produce value-added products. The research explored the potential of waste plastics and silica sand for developing thermoplastic composite as floor tiles. The samples were characterized by water absorption, compressive strength, flexural strength, and sliding wear. The morphological analysis of the sand-plastic interfaces was covered under the umbrella of this study. The maximum compressive and flexural strength were found to be 46.20 N/mm2 and 6.24 N/mm2, respectively, with the minimum water absorption and sliding wear rate of 0.039% and 0.143 × 10-8 kg/m, respectively. The study suggests the workability of the developed floor tiles in non-traffic areas of public places. Thus, the study provides a green building material through recycling waste plastics for sustainable development.
The usage of waste for the development of sustainable building materials has received an increasing attention in socio-eco-environment spheres. The rice husk ash (RHA) produced during burning of rice husk and the ever-increasing plastic wastes are useless causing detrimental effects on the environment. This research supports the idea of sustainability and circular economy via utilization of waste to produce value-added products. This research explores the potential of waste plastics, RHA, and silica sand as thermoplastic composite materials. The different composite samples were prepared through waste plastics which includes low- and high-density polyethylene and polypropylene with incorporation of RHA and silica sand in proportions. The study investigates the effect of filler/polymer in 30/70, 20/80, and 10/90 (wt. %) on the workability of the developed composite materials. The workability of the composites was found to improve with filler reinforcement. The experimental results showed the maximum density of 1.676 g/cm3 and mechanical strength of 26.39, 4.89, and 3.25 MPa as compressive, flexural, and tensile strengths, respectively. The minimum percentage of water absorption was 0.052%. The wear tests resulted in a minimum abrasive and sliding wear rate of 0.03759 (cm3) and 0.00692 × 10-6 kg/m. The correlations between wear mechanisms and responses were morphologically analyzed. The developed composites verify the feasibility of RHA and plastics waste as a cost effective and environmentally competent product. The results and discussions provided a direction for the future research on sustainable polymeric composite materials.
The diverse nature of polymers with attractive properties has replaced the conventional materials with polymeric composites. The present study was sought to evaluate the wear performance of thermoplastic-based composites under the conditions of different loads and sliding speeds. In the present study, nine different composites were developed by using low-density polyethylene (LDPE), high-density polyethylene (HDPE) and polyethylene terephthalate (PET) with partial sand replacements i.e., 0, 30, 40, and 50 wt%. The abrasive wear was evaluated as per the ASTM G65 standard test for abrasive wear through a dry-sand rubber wheel apparatus under the applied loads of 34.335, 56.898, 68.719, 79.461 and 90.742 (N) and sliding speeds of 0.5388, 0.7184, 0.8980, 1.0776 and 1.4369 (m/s). The optimum density and compressive strength were obtained to be 2.0555 g/cm3 and 46.20 N/mm2, respectively for the composites HDPE60 and HDPE50 respectively. The minimum value of abrasive wear were found to 0.02498, 0.03430, 0.03095, 0.09020 and 0.03267 (cm3) under the considered loads of 34.335, 56.898, 68.719, 79.461 and 90.742 (N), respectively. Moreover, the composites LDPE50, LDPE100, LDPE100, LDPE50PET20 and LDPE60 showed a minimum abrasive wear of 0.03267, 0.05949, 0.05949, 0.03095 and 0.10292 at the sliding speeds of 0.5388, 0.7184, 0.8980, 1.0776 and 1.4369 (m/s), respectively. The wear response varied non-linearly with the conditions of loads and sliding speeds. Micro-cutting, plastic deformations, fiber peelings, etc. were included as the possible wear mechanism. The possible correlations between wear and mechanical properties, and throughout discussions for wear behaviors through the morphological analyses of the worn-out surfaces were provided.
Hydrogen (H2) is a possible energy transporter and feedstock for energy decarbonization, transportation, and chemical sectors while reducing global warming's consequences. The predominant commercial method for producing H2 today is steam methane reforming (SMR). However, there is still room for development in process intensification, energy optimization, and environmental concerns related to CO2 emissions. Reactors using metallic membranes (MRs) can handle both problems. Compared to traditional reactors, MRs operates at substantially lower pressures and temperatures. As a result, capital and operational costs may be significantly cheaper than traditional reactors. Furthermore, metallic membranes (MMs), particularly Pd and its alloys, naturally permit only H2 permeability, enabling the production of a stream with a purity of up to 99.999%. This review describes several methods for H2 production based on the energy sources utilized. SRM with CO2 capture and storage (CCUS), pyrolysis of methane, and water electrolysis are all investigated as process technologies. A debate based on a color code was also created to classify the purity of H2 generation. Although producing H2 using fossil fuels is presently the least expensive method, green H2 generation has the potential to become an affordable alternative in the future. From 2030 onward, green H2 is anticipated to be less costly than blue hydrogen. Green H2 is more expensive than fossil-based H2 since it uses more energy. Blue H2 has several tempting qualities, but the CCUS technology is pricey, and blue H2 contains carbon. At this time, almost 80-95% of CO2 can be stored and captured by the CCUS technology. Nanomaterials are becoming more significant in solving problems with H2 generation and storage. Sustainable nanoparticles, such as photocatalysts and bio-derived particles, have been emphasized for H2 synthesis. New directions in H2 synthesis and nanomaterials for H2 storage have also been discussed. Further, an overview of the H2 value chain is provided at the end, emphasizing the financial implications and outlook for 2050, i.e., carbon-free H2 and zero-emission H2.
The considerable increase in world energy consumption owing to rising global population, intercontinental transportation and industrialization has posed numerous environmental concerns. Particularly, in order to meet the required electricity supply, thermal power plants for electricity generation are widely used in many countries. However, an annually excessive quantity of waste fly ash up to 1 billion tones was globally discarded from the combustion of various carbon-containing feedstocks in thermoelectricity plants. About half of the industrially generated fly ash is dumped into landfills and hence causing soil and water contamination. Nonetheless, fly ash still contains many valuable components and possesses outstanding physicochemical properties. Utilizing waste fly ash for producing value-added products has gained significant interests. Therefore, in this work, we reviewed the current implementation of fly ash-derived materials, namely, zeolite and geopolymer as efficient adsorbents for the environmental treatment of flue gas and polluted water. Additionally, the usage of fly ash as a catalyst support for the photodegradation of organic pollutants and reforming processes for the corresponding wastewater remediation and H2 energy generation is thoroughly covered. In comparison with conventional carbon-based adsorbents, fly ash-derived geopolymer and zeolite materials reportedly exhibited greater heavy metal ions removal and reached the maximum adsorption capacity of about 150 mg g-1. As a support for biogas reforming process, fly ash could enhance the activity of Ni catalyst with 96% and 97% of CO2 and CH4 conversions, respectively.
Fevicordin-A (FevA) isolated from Phaleria macrocarpa (Scheff) Boerl. seeds was evaluated for its potential anticancer activity by in vitro and in silico approaches. Cytotoxicity studies indicated that FevA was selective against cell lines of human breast adenocarcinoma (MCF-7) with an IC50 value of 6.4 µM. At 11.2 µM, FevA resulted in 76.8% cell death of T-47D human breast cancer cell lines. Critical pharmacophore features amongst human Estrogen Receptor-α (hERα) antagonists were conserved in FevA with regard to a hypothesis that they could make notable contributions to its pharmacological activity. The binding stability as well as the dynamic behavior of FevA towards the hERα receptor in agonist and antagonist binding sites were probed using molecular dynamics (MD) simulation approach. Analysis of MD simulation suggested that the tail of FevA was accountable for the repulsion of the C-terminal of Helix-11 (H11) in both agonist and antagonist receptor forms. The flexibility of loop-534 indicated the ability to disrupt the hydrogen bond zipper network between H3 and H11 in hERα. In addition, MM/GBSA calculation from the molecular dynamic simulations also revealed a stronger binding affinity of FevA in antagonistic action as compared to that of agonistic action. Collectively, both the experimental and computational results indicated that FevA has potential as a candidate for an anticancer agent, which is worth promoting for further preclinical evaluation.
Polypropylene composites find widespread application in industries, including packaging, plastic parts, automotive, textiles, and specialized devices like living hinges known for their remarkable flexibility. This study focuses on the manufacturing of polypropylene composite specimens by incorporating varying weight percentages of fly ash particles with polypropylene using a twin-screw extruder and injection molding machine. The composites were comprehensively tested, evaluating tensile, compressive, and flexural strength, solid-state and polymer melt properties, modulus, damping, and thermal response. The findings reveal that the compressive strength of polypropylene increases up to 2 wt% of added fly ash particles and subsequently exhibits a slight decline. Tensile strength demonstrates an increase up to 1 wt% of fly ash, followed by a decrease with a 2 wt% addition, and then a subsequent increase. Flexural strength shows improvement up to 3 wt% fly ash addition before declining. The storage modulus curve is categorized into three regions: the glassy region (up to 0 °C), the glass transition region (0-50 °C), and the glass transition region of polypropylene (>50 °C), each corresponding to different molecular motions. Weight loss curves exhibit similar trends, indicating uniform pyrolysis behavior attributed to consistent chemical bonds. Plastic degradation commences around 440 °C and concludes near 550 °C. Additionally, elemental mapping of fly ash composition identified various elements such as O, Si, K, Mg, Ca, Cl, Na, P, Al, Fe, S, Cu, Ti, and Ni. These findings offer valuable insights into the mechanical and thermal properties of polypropylene composites reinforced with fly ash, rendering them suitable for a wide range of industrial applications necessitating strength and durability across temperature variations.
The combined effect of design control factors on the response variables gives valuable information for geometric design optimization of the compound parabolic concentrator. This study presents the data related to the statistical modeling and analysis of variance for aperture width and height of a low concentration symmetric compound parabolic concentrator designed for photovoltaic applications. The design matrix was generated using the response surface modeling approach. The geometric design equations of the proposed concentrator were developed and solved analytically using MATLAB. The empirical models were developed to establish relationships between the control factors and response variables of the proposed system. The analysis of variance was conducted for two significant response variables. The developed statistical models can be used to predict the selected response variables within the permissible range. The presented data can be used for statistical modeling and design optimization of the two-dimensional symmetric compound parabolic concentrator.
Estrogen receptor alpha (ERα) acts as the transcription factor and the main therapeutic target against breast cancer. One of the compounds that has been shown to act as an ERα is α-mangostin. However, it still has weaknesses due to its low solubility and low potent activity. In this study, α-mangostin was modified by substituting -OH group at C6 using benzoyl derivatives through a step by step in silico study, namely pharmacokinetic prediction (https://preadmet.bmdrc.kr/adme/), pharmacophore modeling (LigandScout 4.1), molecular docking simulation (AutoDock 4.2), molecular dynamics simulation (AMBER 16) and a binding free energy analysis using MM-PBSA method. From the computational studies, three compounds which are derived from α-mangostin (AMB-1 (-9.84 kcal/mol), AMB-2 (-6.80 kcal/mol) and AMB-10 (-12.42 kcal/mol)) have lower binding free energy than α-mangostin (-1.77 kcal/mol), as evidenced by the binding free energy calculation using the MM-PBSA method. They can then be predicted to have potent activities as ERα antagonists.Communicated by Ramaswamy H. Sarma.
MPT64 is a specific protein that is secreted by Mycobacterium tuberculosis complex (MTBC). The objective of this study was to obtain optimum culture conditions for MPT64 synthetic gene expression in Escherichia coli BL21 (DE3) by response surface methodology (RSM). The RSM was undertaken to optimize the culture conditions under different cultivation conditions (medium concentration, induction time and inducer concentration), designed by the factorial Box-Bhenken using Minitab 17 statistical software. From the randomized combination, 15 treatments and three center point repetitions were obtained. Furthermore, expression methods were carried out in the flask scale fermentation in accordance with the predetermined design. Then, the MPT64 protein in the cytoplasm of E. coli cell was isolated and characterized using sodium dodecyl sulfate polyacrilamide electrophoresis (SDS-PAGE) then quantified using the ImageJ program. The optimum conditions were two-fold medium concentration (tryptone 20 mg/mL, yeast extract 10 mg/mL, and sodium chloride 20 mg/mL), 5 h of induction time and 4 mM rhamnose. The average concentration of recombinant MPT64 at optimum conditions was 0.0392 mg/mL, higher than the predicted concentration of 0.0311 mg/mL. In conclusion, the relationship between the selected optimization parameters strongly influenced the level of MPT64 gene expression in E. coli BL21 (DE3).
Ankle rehabilitation robots are developed to enhance ankle strength, flexibility and proprioception after injury and to promote motor learning and ankle plasticity in patients with drop foot. This article reviews the design elements that have been incorporated into the existing robots, for example, backdrivability, safety measures and type of actuation. It also discusses numerous challenges faced by engineers in designing this robot, including robot stability and its dynamic characteristics, universal evaluation criteria to assess end-user comfort, safety and training performance and the scientific basis on the optimal rehabilitation strategies to improve ankle condition. This article can serve as a reference to design robot with better stability and dynamic characteristics and good safety measures against internal and external events. It can also serve as a guideline for the engineers to report their designs and findings.
Metallic nanoparticles (NPs) are of particular interest as antimicrobial agents in water and wastewater treatment due to their broad suppressive range against bacteria, viruses, and fungi commonly found in these environments. This review explores the potential of different types of metallic NPs, including zinc oxide, gold, copper oxide, and titanium oxide, for use as effective antimicrobial agents in water and wastewater treatment. This is due to the fact that metallic NPs possess a broad suppressive range against bacteria, viruses, as well as fungus. In addition to that, NPs are becoming an increasingly popular alternative to antibiotics for treating bacterial infections. Despite the fact that most research has been focused on silver NPs because of the antibacterial qualities that are known to be associated with them, curiosity about other metallic NPs as potential antimicrobial agents has been growing. Zinc oxide, gold, copper oxide, and titanium oxide NPs are included in this category since it has been demonstrated that these elements have antibacterial properties. Inducing oxidative stress, damage to the cellular membranes, and breakdowns throughout the protein and DNA chains are some of the ways that metallic NPs can have an influence on microbial cells. The purpose of this review was to engage in an in-depth conversation about the current state of the art regarding the utilization of the most important categories of metallic NPs that are used as antimicrobial agents. Several approaches for the synthesis of metal-based NPs were reviewed, including physical and chemical methods as well as "green synthesis" approaches, which are synthesis procedures that do not involve the employment of any chemical agents. Moreover, additional pharmacokinetics, physicochemical properties, and the toxicological hazard associated with the application of silver NPs as antimicrobial agents were discussed.