Many studies have shown the remarkable enhancement of thermo-physical properties with the addition of a small quantity of nanoparticles into conventional fluids. However, the long-term stability of the nanofluids, which plays a significant role in enhancing these properties, is hard to achieve, thus limiting the performance of the heat transfer fluids in practical applications. The present paper attempts to highlight various approaches used by researchers in improving and evaluating the stability of thermal fluids and thoroughly explores various factors that contribute to the enhancement of the thermo-physical properties of mono, hybrid, and green nanofluids. There are various methods to maintain the stability of nanofluids, but this paper particularly focuses on the sonication process, pH modification, and the use of surfactant. In addition, the common techniques to evaluate the stability of nanofluids are undertaken by using visual observation, TEM, FESEM, XRD, zeta potential analysis, and UV-Vis spectroscopy. Prior investigations revealed that the type of nanoparticle, particle volume concentration, size and shape of particles, temperature, and base fluids highly influence the thermo-physical properties of nanofluids. In conclusion, this paper summarized the findings and strategies to enhance the stability and factors affecting the thermal conductivity and dynamic viscosity of mono and hybrid of nanofluids towards green nanofluids.
This study presents the electromagnetic (EM) characterization of a multiwalled carbon nanotubes (MWCNT)-silver nanoparticles (AgNP)-reinforced poly(vinyl alcohol) (PVA) hybrid nanocomposite fabricated via the solution mixing technique. Primarily, the structure and morphological properties of the PVA/MWCNT-AgNP hybrid nanocomposite are confirmed by X-ray diffraction (XRD) and field emission scanning electron microscopy (FESEM). The complex permittivity (ε*) and permeability (μ*), as well as the electromagnetic scattering parameters are measured using a PNA network analyzer equipped with X-band waveguide. The results showed an enhanced permittivity (ε' ≈ 25) value of the hybrid nanocomposite in the frequency range of 8-12 GHz. However, the permeability decreased to almost zero (μ' ≈ 0.4) since the inclusion of AgNP with an average particle size of 40 nm is not susceptible to magnetization and causes higher magnetic losses (tan δμ) than dielectric losses (tan δε). Remarkably, the hybrid nanocomposite reduced transmission of electromagnetic (EM) wave by nearly 60% in comparison to PVA/MWCNT. This is attributed to the enhanced absorption and reflection at the nanotubes, and metal-dielectric interfaces have induced multiple internal reflections owing to the porous structure of the nanocomposite. The prospect of the PVA/MWCNT-AgNP hybrid nanocomposite is favorable as a thin absorbing material for EM shielding applications.
This paper details analytical research results into a novel geopolymer concrete embedded with glass bubble as its thermal insulating material, fly ash as its precursor material, and a combination of sodium hydroxide (NaOH) and sodium silicate (Na2SiO3) as its alkaline activator to form a geopolymer system. The workability, density, compressive strength (per curing days), and water absorption of the sample loaded at 10% glass bubble (loading level determined to satisfy the minimum strength requirement of a load-bearing structure) were 70 mm, 2165 kg/m3, 52.58 MPa (28 days), 54.92 MPa (60 days), and 65.25 MPa (90 days), and 3.73 %, respectively. The thermal conductivity for geopolymer concrete decreased from 1.47 to 1.19 W/mK, while the thermal diffusivity decreased from 1.88 to 1.02 mm2/s due to increased specific heat from 0.96 to 1.73 MJ/m3K. The improved physicomechanical and thermal (insulating) properties resulting from embedding a glass bubble as an insulating material into geopolymer concrete resulted in a viable composite for use in the construction industry.
Fungi of the Trichoderma species are valued industrial enzymes in support of the 'zero-waste' technology to convert agro-industrial biomass into valuable products, i.e. nanocellulose (NC). In this study, an in silico approach using substrate docking and molecular dynamic (MD) simulation was used to predict the order of which the multilayers of cellulosic polymers, i.e. lignin, hemicellulose and cellulose in oil palm leaves (OPL) are degraded by fungal enzymes, endocellulase and exocellulase. The study aimed to establish the catalytic tendencies of the enzymes to optimally degrade the cellulosic components of OPL for high yield production of NC. Energy minimized endocellulase and exocellulase models revealed satisfactory scores of PROCHECK (90.0% and 91.2%), Verify3D (97.23% and 98.85%) and ERRAT (95.24% and 91.00%) assessments. Active site prediction by blind docking, COACH meta-server and multiple sequence alignment indicated the catalytic triads for endocellulase and exocellulase were Ser116-His205-Glu249 and Ser382-Arg124-Asp385, respectively. Binding energy of endocellulase docked with hemicellulose (-6.0 kcal mol-1) was the most favourable followed by lignin (-5.6 kcal mol-1) and cellulose (-4.4 kcal mol-1). Exocellulase, contrarily, bonded favorably with lignin (-8.7 kcal mol-1), closely followed by cellulose (-8.5 kcal mol-1) and hemicellulose (-8.4 kcal mol-1). MDs simulations showed that interactions of complexes, endocellulase-hemicellulose and the exocellulase-cellulose being the most stable. Thus, the findings of the study successfully identified the specific actions of sugar-acting enzymes for NC production. Communicated by Ramaswamy H. Sarma.
Welding parameters obviously determine the joint quality during the resistance spot welding process. This study aimed to investigate the effect of welding current and electrode force on the heat input and the physical and mechanical properties of a SS316L and Ti6Al4V joint with an aluminum interlayer. The weld current values used in this study were 11, 12, and 13 kA, while the electrode force values were 3, 4, and 5 kN. Welding time and holding time remained constant at 30 cycles. The study revealed that, as the welding current and electrode force increased, the generated heat input increased significantly. The highest tensile-shear load was recorded at 8.71 kN using 11 kA of weld current and 3 kN of electrode force. The physical properties examined the formation of a brittle fracture and several weld defects on the high current welded joint. The increase in weld current also increased the weld diameter. The microstructure analysis revealed no phase transformation on the SS316L interface; instead, the significant grain growth occurred. The phase transformation has occurred on the Ti6Al4V interface. The intermetallic compound layer was also investigated in detail using the EDX (Energy Dispersive X-Ray) and XRD (X-Ray Diffraction) analyses. It was also found that both stainless steel and titanium alloy have their own fusion zone, which is indicated by the highest microhardness value.
The learning curve for doing a good qualitative study is steep because qualitative methodologies are often vague and lack explicit steps. We detail the formulation of the grounded theory approach in a study of patients with type 2 diabetes mellitus who made decisions while strategizing their treatment types. This undertaking is to demonstrate how this systematic and yet flexible methods contributed to the understanding of the issue we were investigating. The process from deciding on research objectives and research questions, follow with systematic process for data collection and analysis allows us to generate a substantive theoretical model. By paying critical attention to theoretical saturation, grounded theory approach enabled us to construct all possible explanatory concepts related to decision making in strategizing diabetes treatment. We also describe the challenges throughout the whole research journey, including getting permission to interview patients, gaining the trust of research participants and staying open to the participants’ views.
The fabrication of energy storage EDLC in this work is achieved with the implementation of a conducting chitosan-methylcellulose-NH4NO3-glycerol polymer electrolyte system. The simple solution cast method has been used to prepare the electrolyte. The impedance of the samples was fitted with equivalent circuits to design the circuit diagram. The parameters associated with ion transport are well studied at various plasticizer concentrations. The FTIR investigation has been done on the films to detect the interaction that occurs among plasticizer and polymer electrolyte. To get more insights into ion transport parameters, the FTIR was deconvoluted. The transport properties achieved from both impedance and FTIR are discussed in detail. It was discovered that the transport parameter findings are in good agreement with both impedance and FTIR studies. A sample with high transport properties was characterized for ion dominancy and stability through the TNM and LSV investigations. The dominancy of ions in the electrolyte verified as the tion of the electrolyte is established to be 0.933 whereas it is potentially stable up to 1.87 V. The rechargeability of the EDLC is steady up to 500 cycles. The internal resistance, energy density, and power density of the EDLC at the 1st cycle are 53 ohms, 6.97 Wh/kg, and 1941 W/kg, respectively.
Geopolymer concrete has the potential to replace ordinary Portland cement which can reduce carbon dioxide emission to the environment. The addition of different amounts of steel fibers, as well as different types of end-shape fibers, could alter the performance of geopolymer concrete. The source of aluminosilicate (fly ash) used in the production of geopolymer concrete may lead to a different result. This study focuses on the comparison between Malaysian fly ash geopolymer concrete with the addition of hooked steel fibers and geopolymer concrete with the addition of straight-end steel fibers to the physical and mechanical properties. Malaysian fly ash was first characterized by X-ray fluorescence (XRF) to identify the chemical composition. The sample of steel fiber reinforced geopolymer concrete was produced by mixing fly ash, alkali activators, aggregates, and specific amounts of hook or straight steel fibers. The steel fibers addition for both types of fibers are 0%, 0.5%, 1.0%, 1.5%, and 2.0% by volume percentage. The samples were cured at room temperature. The physical properties (slump, density, and water absorption) of reinforced geopolymer concrete were studied. Meanwhile, a mechanical performance which is compressive, as well as the flexural strength was studied. The results show that the pattern in physical properties of geopolymer concrete for both types of fibers addition is almost similar where the slump is decreased with density and water absorption is increased with the increasing amount of fibers addition. However, the addition of hook steel fiber to the geopolymer concrete produced a lower slump than the addition of straight steel fibers. Meanwhile, the addition of hook steel fiber to the geopolymer concrete shows a higher density and water absorption compared to the sample with the addition of straight steel fibers. However, the difference is not significant. Besides, samples with the addition of hook steel fibers give better performance for compressive and flexural strength compared to the samples with the addition of straight steel fibers where the highest is at 1.0% of fibers addition.
The rapid growth of electronic systems and devices operating within the gigahertz (GHz) frequency range has increased electromagnetic interference. In order to eliminate or reduce the spurious electromagnetic radiation levels more closely in different applications, there is strong research interest in electromagnetic absorber technology. Moreover, there is still a lack of ability to absorb electromagnetic radiation in a broad frequency range using thin thickness. Thus, this study examined the effect of incorporating magnetic and dielectric materials into the polymer matrix for the processing of radar absorbing materials. The experiment evaluated the sample preparation with different weight percentages of multi-walled carbon nanotubes (MWCNT) mixed with Ni0.5Zn0.5Fe2O4 (Nickel-Zinc-Ferrite) loaded into epoxy (P) as a matrix. The prepared samples were analysed by examining the reflectivity measurements in the 8 – 18 GHz frequency range and conducting a morphological study using scanning electron microscopy analyses. The correlation of the results showed that different amounts of MWCNT influenced the performance of the microwave absorber. As the amount of MWCNTs increased, the reflection loss (RL) peak shifted towards a lower frequency range and the trend was similar for all thicknesses. The highest RL was achieved when the content of MWCNTs was 2 wt% with a thickness of 2 mm with an RL of – 14 dB at 16 GHz. The 2.5 GHz bandwidth corresponded to the RL below -10 dB (90% absorption) in the range of 14.5 – 17 GHz. This study showed that the proposed experimental route provided flexible absorbers with suitable absorption values by mixing only 2 wt% of MWCNTs.
A three dimensional (3D) numerical solution of unsteady, Ag-MgO hybrid nanoliquid flow with heat and mass transmission caused by upward/downward moving of wavy spinning disk has been scrutinized. The magnetic field has been also considered. The hybrid nanoliquid has been synthesized in the presence of Ag-MgO nanoparticles. The purpose of the study is to improve the rate of thermal energy transmission for several industrial purposes. The wavy rotating surface increases the heat transmission rate up to 15%, comparatively to the flat surface. The subsequent arrangement of modeled equations is diminished into dimensionless differential equation. The obtained system of equations is further analytically expounded via Homotopy analysis method HAM and the numerical Parametric continuation method (PCM) method has been used for the comparison of the outcomes. The results are graphically presented and discussed. It has been presumed that the geometry of spinning disk positively affects the velocity and thermal energy transmission. The addition of hybrid nanoparticles (silver and magnesium-oxide) significantly improved thermal property of carrier fluid. It uses is more efficacious to overcome low energy transmission. Such as, it provides improvement in thermal performance of carrier fluid, which play important role in power generation, hyperthermia, micro fabrication, air conditioning and metallurgical field.
Recently, many scientists and polymer engineers have been working on eco-friendly materials for starch-based food packaging purposes, which are based on biopolymers, due to the health and environmental issues caused by the non-biodegradable food packaging. However, to maintain food freshness and quality, it is necessary to choose the correct materials and packaging technologies. On the other hand, the starch-based film's biggest flaws are high permeability to water vapor transfer and the ease of spoilage by bacteria and fungi. One of the several possibilities that are being extensively studied is the incorporation of essential oils (EOs) into the packaging material. The EOs used in food packaging films actively prevent inhibition of bacteria and fungi and have a positive effect on food storage. This work intended to present their mechanical and barrier properties, as well as the antimicrobial activity of anti-microbacterial agent reinforced starch composites for extending product shelf life. A better inhibition of zone of antimicrobial activity was observed with higher content of essential oil. Besides that, the mechanical properties of starch-based polymer was slightly decreased for tensile strength as the increasing of essential oil while elongation at break was increased. The increasing of essential oil would cause the reduction of the cohesion forces of polymer chain, creating heterogeneous matrix and subsequently lowering the tensile strength and increasing the elongation (E%) of the films. The present review demonstrated that the use of essential oil represents an interesting alternative for the production of active packaging and for the development of eco-friendly technologies.
Silver nanoparticles (AgNPs) have been found to have extensive biomedical and biological applications. They can be synthesised using chemical and biological methods, and coated by polymer to enhance their stability. Hence, the changes in the physico-chemical characteristics of AgNPs must be scrutinised due to their importance for biological activity. The UV-Visible absorption spectra of polyethylene glycol (PEG) -coated AgNPs displayed a distinctive narrow peak compared to uncoated AgNPs. In addition, High-Resolution Transmission Electron Microscopy analysis revealed that the shapes of all AgNPs, were predominantly spherical, triangular, and rod-shaped. Fourier-Transform Infrared Spectroscopy analysis further confirmed the role of PEG molecules in the reduction and stabilisation of the AgNPs. Moreover, dynamic light scattering analysis also revealed that the polydispersity index values of PEG-coated AgNPs were lower than the uncoated AgNPs, implying a more uniform size distribution. Furthermore, the uncoated and PEG-coated biologically synthesised AgNPs demonstrated antagonisms activities towards tested pathogenic bacteria, whereas no antagonism activity was detected for the chemically synthesised AgNPs. Overall, generalisation on the interrelations of synthesis methods, PEG coating, characteristics, and antimicrobial activity of AgNPs were established in this study.
The process parameters of microwave-induced hydrothermal carbonization (MIHTC) play an important role on the hydrothermal chars (hydrochar) yield. The effect of reaction temperature, reaction time, particle size and biomass to water ratio was optimized for hydrochar yield by modeling using the central composite design (CCD). Further, the rice straw and hydrochar at optimum conditions have been characterized for energy, chemical, structural and thermal properties. The optimum condition for hydrochar synthesis was found to be at a 180 °C reaction temperature, a 20 min reaction time, a 1:15 weight per volume (w/v) biomass to water ratio and a 3 mm particle size, yielding 57.9% of hydrochar. The higher heating value (HHV), carbon content and fixed carbon values increased from 12.3 MJ/kg, 37.19% and 14.37% for rice straw to 17.6 MJ/kg, 48.8% and 35.4% for hydrochar. The porosity, crystallinity and thermal stability of the hydrochar were improved remarkably compared to rice straw after MIHTC. Two characteristic peaks from XRD were observed at 2θ of 15° and 26°, whereas DTG peaks were observed at 50⁻150 °C and 300⁻350 °C for both the materials. Based on the results, it can be suggested that the hydrochar could be potentially used for adsorption, carbon sequestration, energy and agriculture applications.
The structural, thermal, linear, and femtosecond third-order nonlinear optical (NLO) properties of two pyridine-based anthracene chalcones, (2E)-1-(anthracen-9-yl)-3-(pyridin-2-yl)prop-2-en-1-one (2PANC) and (2E)-1-(anthracen-9-yl)-3-(pyridin-3-yl)prop-2-en-1-one (3PANC), were investigated. These two chalcones were synthesized following the Claisen-Schmidt condensation method. Optically transparent single crystals were achieved using a slow evaporation solution growth technique. The presence of functional groups in these molecules was established by Fourier transform infrared and NMR spectroscopic data. The detailed solid-state structure of both chalcones was determined from the single-crystal X-ray diffraction data. Both crystals crystallized in the centrosymmetric triclinic space group P1̅ with the nuance of unit cell parameters. The crystals (labeled as 2PANC and 3PANC) have been found to be transparent optically [in the entire visible spectral region] and were found to be thermally stable up to 169 and 194 °C, respectively. The intermolecular interactions were investigated using the Hirshfeld surface analysis, and the band structures (highest occupied molecular orbital-lowest unoccupied molecular orbital, excited-state energies, global chemical reactivity descriptors, and molecular electrostatic potentials) were studied using density functional theory (DFT) techniques. The ultrafast third-order NLO properties were investigated using (a) Z-scan and (b) degenerate four-wave mixing (DFWM) techniques using ∼50 fs pulses at 800 nm (1 kHz, ∼4 mJ) from a Ti:sapphire laser amplifier. Two-photon-assisted reverse saturable absorption, self-focusing nonlinear refraction, optical limiting, and optical switching behaviors were witnessed from the Z-scan data. 3PANC demonstrated a stronger two-photon absorption coefficient, while 2PANC depicted a stronger nonlinear refractive index among the two. The time-resolved DFWM data demonstrated that the decay times of 2PANC and 3PANC were ∼162 and ∼180 fs, respectively. The second hyperpolarizability (γ) values determined by DFT, Z-scan, and DFWM were found to be in good correlation (with a magnitude of ∼10-34 esu). The ultrafast third-order NLO response, significant NLO properties, and thermal stability of these chalcones brands them as potential candidates for optical power limiting and switching applications.
Two geometric shape turbulence promoters (circular and square of same areas) of different array patterns using three-dimensional (3D) printing technology were designed for direct contact membrane distillation (DCMD) modules in the present study. The DCMD device was performed at middle temperature operation (about 45 °C to 60 °C) of hot inlet saline water associated with a constant temperature of inlet cold stream. Attempts to reduce the disadvantageous temperature polarization effect were made inserting the 3D turbulence promoters to promote both the mass and heat transfer characteristics in improving pure water productivity. The additive manufacturing 3D turbulence promoters acting as eddy promoters could not only strengthen the membrane stability by preventing vibration but also enhance the permeate flux with lessening temperature polarization effect. Therefore, the 3D turbulence promoters were individually inserted into the flow channel of the DCMD device to create vortices in the flow stream and increase turbulent intensity. The modeling equations for predicting the permeate flux in DCMD modules by inserting the manufacturing 3D turbulence promoter were investigated theoretically and experimentally. The effects of the operating conditions under various geometric shapes and array patterns of turbulence promoters on the permeate flux with hot inlet saline temperatures and flow rates as parameters were studied. The distributions of the fluid velocities were examined using computational fluid dynamics (CFD). Experimental study has demonstrated a great potential to significantly accomplish permeate flux enhancement in such new design of the DCMD system. The permeate flux enhancement for the DCMD module by inserting 3D turbulence promoters in the flow channel could provide a maximum relative increment of up to 61.7% as compared to that in the empty channel device. The temperature polarization coefficient (τtemp) was found in this study for various geometric shapes and flow patterns. A larger τtemp value (the less thermal resistance) was achieved in the countercurrent-flow operation than that in the concurrent-flow operation. An optimal design of the module with inserting turbulence promoters was also delineated when considering both permeate flux enhancement and energy utilization effectiveness.
Utilizing agro-waste material such as rice husk (RH) and coco peat (CP) reinforced with thermoplastic resin to produce low-cost green composites is a fascinating discovery. In this study, the effectiveness of these blended biocomposites was evaluated for their physical, mechanical, and thermal properties. Initially, the samples were fabricated by using a combination of melt blend internal mixer and injection molding techniques. Increasing in RH content increased the coupons density. However, it reduced the water vapor kinetics sorption of the biocomposite. Moisture absorption studies disclosed that water uptake was significantly increased with the increase of coco peat (CP) filler. It showed that the mechanical properties, including tensile modulus, flexural modulus, and impact strength of the 15% RH-5% CP reinforced acrylonitrile-butadiene-styrene (ABS), gave the highest value. Results also revealed that all RH/CP filled composites exhibited a brittle fracture manner. Observation on the tensile morphology surfaces by using a scanning electron microscope (SEM) affirmed the above finding to be satisfactory. Therefore, it can be concluded that blend-agriculture waste reinforced ABS biocomposite can be exploited as a biodegradable material for short life engineering application where good mechanical and thermal properties are paramount.
Clinacanthus nutans has been reported to have many medicinal properties and it is traditionally used in treating viral lesions. This study aims to determine the molecular docking of C. nutans compounds detected by Gas Chromatography-Mass Spectrometry (GC-MS) with the novel severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2 main protease) protein and its host receptor angiotensin-converting enzyme 2 (ACE2) protein using the AutoDock 4.2 tool. The drug-likeness and molecular docking analyses showed that fourteen compounds of C. nutans satisfied the Lipinski's rule of five and they exhibited good inhibitory effects against the SARS-Cov-2 main protease and ACE2 proteins. In addition, the glyceryl 2-linolenate compound was found to have the most potent binding affinities with both proteins. The results provide useful insights into the molecular inhibitory interactions of C. nutans compounds detected by GC-MS analysis with the targeted SARS-CoV-2 main protease and ACE2 protein.
We have developed a new class of lanthanide nano-clusters that self-assemble using flexible Schiff base ligands. Cd-Ln and Ni-Ln clusters, [Ln8Cd24(L(1))12(OAc)39Cl7(OH)2] (Ln = Nd, Eu), [Eu8Cd24(L(1))12(OAc)44], [Ln8Cd24(L(2))12(OAc)44] (Ln = Nd, Yb, Sm) and [Nd2Ni4(L(3))2(acac)6(NO3)2(OH)2], were constructed using different types of flexible Schiff base ligands. These molecular nano-clusters exhibit anisotropic architectures that differ considerably depending upon the presence of Cd (nano-drum) or Ni (square-like nano-cluster). Structural characterization of the self-assembled particles has been undertaken using crystallography, transmission electron microscopy and small-angle X-ray scattering. Comparison of the metric dimensions of the nano-drums shows a consistency of size using these techniques, suggesting that these molecules may share similar structural features in both solid and solution states. Photophysical properties were studied by excitation of the ligand-centered absorption bands in the solid state and in solution, and using confocal microscopy of microspheres loaded with the compounds. The emissive properties of these compounds vary depending upon the combination of lanthanide and Cd or Ni present in these clusters. The results provide new insights into the construction of novel high-nuclearity nano-clusters and offer a promising foundation for the development of new functional nanomaterials.
Understanding the reaction mechanism that controls the one-electron electrochemical reduction of oxygen is essential for sustainable use of the superoxide ion (O2˙-) during CO2 conversion. Here, stable generation of O2˙- in butyltrimethylammonium bis(trifluoromethylsulfonyl)imide [BMAmm+][TFSI-] ionic liquid (IL) was first detected at -0.823 V vs. Ag/AgCl using cyclic voltammetry (CV). The charge transfer coefficient associated with the process was ∼0.503. It was determined that [BMAmm+][TFSI-] is a task-specific IL with a large negative isovalue surface density accrued from the [BMAmm+] cation with negatively charged C(sp2) and C(sp3). Consequently, [BMAmm+][TFSI-] is less susceptible to the nucleophilic effect of O2˙- because only 8.4% O2˙- decay was recorded from 3 h long-term stability analysis. The CV analysis also detected that O2˙- mediated CO2 conversion in [BMAmm+][TFSI-] at -0.806 V vs. Ag/AgCl as seen by the disappearance of the oxidative faradaic current of O2˙-. Electrochemical impedance spectroscopy (EIS) detected the mechanism of O2˙- generation and CO2 conversion in [BMAmm+][TFSI-] for the first time. The EIS parameters in O2 saturated [BMAmm+][TFSI-] were different from those detected in O2/CO2 saturated [BMAmm+][TFSI-] or CO2 saturated [BMAmm+][TFSI-]. This was rationalized to be due to the formation of a [BMAmm+][TFSI-] film on the GC electrode, creating a 2.031 × 10-9 μF cm-2 double-layer capacitance (CDL). Therefore, during the O2˙- generation and CO2 utilization in [BMAmm+][TFSI-], the CDL increased to 5.897 μF cm-2 and 7.763 μF cm-2, respectively. The CO2 in [BMAmm+][TFSI-] was found to be highly unlikely to be electrochemically converted due to the high charge transfer resistance of 6.86 × 1018 kΩ. Subsequently, O2˙- directly mediated the CO2 conversion through a nucleophilic addition reaction pathway. These results offer new and sustainable opportunities for utilizing CO2 by reactive oxygen species in ionic liquid media.
Dengue disease, which is caused by dengue virus (DENV) has been a major worldwide concern, with increased number of cases each year. Currently, there are no specific medications to treat the disease. Hence, there is a dire need to develop novel drugs for disease treatment. Glycolysis is a metabolic pathway that serves as the main source of energy for DENV replication and targeting the pathway is one of the ideal approach to discover new anti-DENV drugs. This paper focuses on the inhibition of human hexokinase isoform 2 (HK2) enzyme, which is one of the important enzymes in glycolysis, in the quest to disrupt DENV replication. In order to search for potential inhibitors, two methods were conducted, which are ligand-based screening and structure-based screening approaches. Docking of Daidzin , which was derived from Kudzu, a Japanese plant, into the active site of HK2 has shown the nearest binding affinity score (-7.94 kcal/mol) to glucose‘s (GLC), which is -8.15 kcal/mol. Meanwhile, Ethyl (2R)-2-[[3-[2-[(4-methylbenzoyl) amino]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]butanoate (Ethyl 2(R)), a compound which is the analogue of ((22E, 24R)-6β-methoxyergosta-7, 9(11), 22-triene-3β,5α-diol) or compound 2 from Ganoderma sinense obtained from ligand-based screening was also docked into the binding site of HK2, showing a binding affinity score of -8.43 kcal/mol. Both docking was conducted by using AutoDock4 software at virtual screening phase. These compounds were further analysed in an inhibition assay to determine the effects of these potential naturally-derived inhibitors on the activity of HK2. The outcome from the inhibition studies showed that both compounds exhibited substantial inhibition on the activity of HK2 enzyme, where Daidzin, at 0.5 mM, resulted in HK2 remaining activity of 87.28%, while Ethyl (2R) resulted in 70.09% of HK2 remaining activity at 0.5 mM concentration. The results also indicate that as the concentration of these compounds increased, the percentage of remaining enzyme activity decreased. In conclusion, this study has served as a platform for the development of anti-dengue drugs based on naturally-derived compounds, which is anticipated to be a safer option for dengue treatment.