Nucleic acids have special ability to organize themselves into various non-canonical structures, including a four-stranded DNA structure termed G-quadruplex (G4) that has been utilized for diagnostic and therapeutic applications. Herein, we report the ability of G4 to distinguish dengue virus (DENV) based on its serotypes (DENV-1, DENV-2, DENV-3 and DENV-4) using a split G4-hemin DNAzyme configuration. In this system, two separate G-rich oligonucleotides are brought together upon target DNA strand hybridization to form a three-way junction architecture, allowing the formation of a G4 structure. The G4 formation in complexation with hemin can thus provide a signal readout by generating a DNAzyme that is able to catalyze H2O2-mediated oxidation of 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt (ABTS). This results in a change of color providing a sensing platform for the colorimetric detection of DENV. In our approach, betaine and dimethyl sulfoxide were utilized for better G4 generation by enhancing the target-probe hybridization. In addition to this serotype-specific assay, a multi-probe cocktail assay, which is an all-in-one assay was also examined for DENV detection. The system highlights the potential of split G-quadruplex configurations for the development of DNA-based detection and serotyping systems in the future.
Since the world's population is expanding, mankind may be faced with a huge dilemma in the future, which is food scarcity. The situation can be mitigated by employing sustainable cutting-edge agricultural methods to maintain the food supply chain. In recent years, carbon quantum dots (CQD), a member of the well-known carbon-based nanomaterials family, have given rise to a new generation of technologies that have the potential to revolutionise horticulture and agriculture research. CQD has drawn much attention from the research community in agriculture owing to their remarkable properties such as good photoluminescence behaviour, high biocompatibility, photo-induced electron transfer, low cost, and low toxicity. These unique properties have led CQD to become a promising material to increase plant growth and yield in the agriculture field. This review paper highlights the recent advances of CQD application in plant growth and photosynthesis rate at different concentrations, with a focus on CQD uptake and translocation, as well as electron transfer mechanism. The toxicity and biocompatibility studies of CQD, as well as industrial scale applications of CQD for agriculture are discussed. Finally, the current challenges of the present and future perspectives in this agriculture research are presented.
The present study deals with the effects of curcumin-loaded ZnO nanoparticles (NPs) embedded in graphitic-carbon nitride (g-C3N4) sheets for breast cancer cells. The synthesis of these sheets was carried out by a simple co-precipitation method. The physicochemical and thermal properties of the composite sheets were studied using various characterization techniques. The powder X-ray diffraction and high-resolution transmission electron microscopy analyses confirmed the hexagonal wurtzite phase of the ZnO nanoparticles, which were randomly distributed on the g-C3N4 nanosheets, generating a finely bonded interface between the two components. The X-ray photoelectron spectroscopy analysis confirmed the successful formation of the g-C3N4@ZnO composite, while the thermal studies revealed the thermal stability of the composite. In addition, the drug release and kinetics studies proved that the release of curcumin was more significant under acidic conditions (pH 5) compared with neutral pH (7.4). Further, the biological assays verified the antibacterial activity (against two different cultures of E. coli and S. aureus) and anticancer activity (against MDA-MB-231 cancer cells) of the g-C3N4@ZnO/C nanocomposite. Finally, the lactate dehydrogenase activity assay presented the cytotoxic assessment of the nanocomposite based on its cytoplasmic activity and the extent of enzymes released from the damaged cells.
The conversion of biomass through thermochemical processes has emerged as a promising approach to meet the demand for alternative renewable fuels. However, these processes are complex, labor-intensive, and time-consuming. To optimize the performance and productivity of these processes, modeling strategies have been developed, with steady-state modeling being the most commonly used approach. However, for precision in biomass gasification, dynamic modeling and control are necessary. Despite efforts to improve modeling accuracy, deviations between experimental and modeling results remain significant due to the steady-state condition assumption. This paper emphasizes the importance of using Aspen Plus® to conduct dynamics and control studies of biomass gasification processes using different feedstocks. As Aspen Plus® is comprising of its Aspen Dynamics environment which provides a valuable tool that can capture the complex interactions between factors that influence gasification performance. It has been widely used in various sectors to simulate chemical processes. This review examines the steady-state and dynamic modeling and control investigations of the gasification process using Aspen Plus®. The software enables the development of dynamic and steady-state models for the gasification process and facilitates the optimization of process parameters by simulating various scenarios. Furthermore, this paper highlights the importance of different control strategies employed in biomass gasification, utilizing various models and software, including the limited review available on model predictive controller, a multivariable MIMO controller.
This work investigates the structural, elastic, electronic, and photoabsorption properties of boron- (N-deficient) and nitrogen- (B-deficient) doped single-walled boron nitride nanotube (SWBNNT) for photocatalytic applications for the first time. All calculations of the optimized systems were performed with DFT quantum simulation codes. The results of the structural analysis showed that SWBNNT is stable to both B and N dopants. It was also observed that the photodecomposition activity of the B-doped nanotube improved significantly under the condition of slight compressive stress, while it decreased for the N-doped nanotube. Therefore, N-doped SWBNNT showed poor performance under external pressure. Both B and N-doped systems could narrow the wide band gap of SWBNNT to the photocatalytic region below 3 eV, therefore this material can be used as photocatalysts in water splitting for hydrogen evolution, dye degradation, wastewater treatment, etc. Analysis of the optical properties revealed that B-doped SWBNNT absorbs more photons in the visible range than the N-doped SWBNNT and can therefore be considered as a more efficient photocatalyst. In addition, it was found that all doped nanotubes are anisotropic since the absorption in one direction of nanotube axes is worse than the other.
Boron nitride (BN) nanomaterials are rapidly being investigated for potential applications in biomedical sciences due to their exceptional physico-chemical characteristics. However, their safe use demands a thorough understanding of their possible environmental and toxicological effects. The cytotoxicity of boron nitride nanotubes (BNNTs) was explored to see if they could be used in living cell imaging. It was observed that the cytotoxicity of BNNTs is higher in cancer cells (65 and 80%) than in normal cell lines (40 and 60%) for 24 h and 48 h respectively. The influence of multiple experimental parameters such as pH, time, amount of catalyst, and initial dye concentration on percentage degradation efficiency was also examined for both catalyst and dye. The degradation effectiveness decreases (92 to 25%) as the original concentration of dye increases (5-50 ppm) due to a decrease in the availability of adsorption sites. Similarly, the degradation efficiency improves up to 90% as the concentration of catalyst increases (0.01-0.05 g) due to an increase in the adsorption sites. The influence of pH was also investigated, the highest degradation efficiency for MO dye was observed at pH 4. Our results show that lower concentrations of BNNTs can be employed in biomedical applications. Dye degradation properties of BNNTs suggest that it can be a potential candidate as a wastewater and air treatment material.
Oxygen doped mesoporous carbon nitride (O-MCN) was successfully synthesized through one-step thermal polymerization of urea and glucose utilizing nanodisc silica (NDS) from rice husk ash as a hard template. The CO2 gas, NH3 and water vapor produced during the thermal process reshaped the morphology and textural properties of the of O-MCN compared to pristine mesoporous carbon nitride (MCN). Highest bisphenol A (BPA) removal achieved under visible light irradiation was 97%, with 60% mineralization ([BPA] = 10 mg L-1: catalyst dosage = 40 mg L-1; pH = 10; 180 min). In addition to mesoporosity, the sub-gap impurity states created from the oxygen doping reduced recombination rate of photogenerated carriers. Holes (h+) and superoxide (O2˙-) were identified as the predominant active species responsible for the photodegradation process. The photodegradation route was proposed based on the intermediates detected by LC-time-of-flight/mass spectrometry (LC/TOF-MS). The Density of States (DOS) showed that oxygen doping resulted in a higher photoactivity due to the stronger localization and delocalization of the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO). The adsorption pathway of the BPA on the O-MCN and MCN was successfully predicted using the DFT calculations, namely molecular electrostatic potential (MEP), global and local descriptors.
Thermoplastic olefin (TPO) is the principal material for automotive instrument panels and is prone to fracture especially under heavy airbag deployment, which can prevent the airbag deploying properly. Thus, polyolefin elastomer (POE) was introduced to improve impact properties and fracture resistance. Fundamental methods to characterise TPO with the addition of POE are proposed. The influence of POE content on the mechanical properties was examined. With increasing POE content, the storage modulus and glass transition temperature values decreased, and the damping increased due to the POE increasing the polymer chain mobility. The tensile modulus, ultimate tensile strength and yield stress decreased with increasing POE content, while the ductility of the blends significantly increased. Furthermore, the POE reduced hardness and increased energy absorption during impact. In the fracture analysis, the addition of POE content increased the fracture resistance by increasing the crack energy and decreasing the resistance to crack initiation. Fractographic analysis showed how stretched microfibrils in the blends increase the fracture resistance. These results gave a significant indication of the utility of the elastomer in improving some mechanical properties and impact toughness of the interior automotive material to resist an undesired failure or over-fracture in airbag deployment.
Less effective antioxidant supplementation in combating free radicals is often related to the lack of the formulation of carriers. The antioxidant may be one of the most powerful substances but is marred by poor uptake by cells when the carrier degraded and dissolved too rapidly. Nanoparticle (NP) systems are promising in overcoming the problem since they provide high surface area to enhance encapsulation and release efficiency. With the right selection of material, NP carriers could function as constructive antioxidant cargos. Generally, NPs carry only one active ingredient; this study, however, utilized chitosan nanoparticles (CNPs) and hydrophobically modified palmitoyl-chitosan nanoparticles (PCNPs) that were dual encapsulated with antioxidants of different polarities, namely, hydrophobic thymoquinone (TQ) and hydrophilic l-ascorbic acid (LAA) to evaluate their combination effects in scavenging free radicals. The antioxidants followed zero-order release kinetics with a controlled release manner for about 48 h. The interaction effects between TQ and LAA loaded in the NP systems were determined by classical isobologram (CI) values. The CI values were derived by a diphenyl picrylhydrazyl (DPPH) assay, a radical scavenging activity assay. Combined TQ and LAA had CI values of less than one, with a lower value in the PCNP system than in the CNP system. This indicates that the interaction between those antioxidants showed higher synergistic effects in PCNPs, which enhanced the DPPH radical scavenging activities. The antioxidative potential of compound(s) encapsulated in the PCNP carrier was further experimented by a reactive oxygen species (ROS) assay on a human normal lung fibroblast cell line (MRC-5) as lung is one of the organs with high accumulation of free radicals. About 48 h post treatment, the dual-loaded TQ and LAA in PCNPs showed the lowest ROS level in comparison to single-loaded antioxidants and bare antioxidant delivery. The hydrogen peroxide (H2O2) radical scavenging was influenced by both the controlled release property of the PCNP system and the synergy between TQ and LAA. In short, dual-loaded TQ and LAA in the hydrophobically modified PCNP had effectively depicted the capability of a single CS-based nanocarrier to hold more than one compound at a time to function as a potent radical scavenger.
Leading pathological markers of Alzheimer's disease (AD) include Acetylcholinesterase (AChE), Butyrylcholinesterase (BuChE), Amyloid beta (Aβ) and reactive oxygen species (ROS). Indole derivatives were identified and optimized to improve the potency against AChE, BuChE, Aβ and ROS. The lead molecule IND-30 was found to be selective for AChE (selectivity ratio: 22.92) in comparison to BuChE and showed maximum inhibition potential for human AChE (IC50: 4.16 ± 0.063 μM). IND-30 was found to be safe on the SH-SY5Y cell line until the dose of 30 mM. Further, molecule IND-30 was evaluated for its ability to inhibit AChE-induced Aβ aggregation at 0.5, 10 and 20 μM doses. Approximately, 50% of AChE-induced Aβ aggregation was inhibited by IND-30. Thus, IND-30 was found to be multitargeting for AD.
A series of ammonium-based protic ionic liquids (APILs) namely ethanolammonium pentanoate [ETOHA][C5], ethanolammonium heptanoate [ETOHA][C7], triethanolammonium pentanoate [TRIETOHA][C5], triethanolammonium heptanoate [TRIETOHA][C7], tributylammonium pentanoate [TBA][C5] and tributylammonium heptanoate [TBA][C7] was synthesized via proton transfer. Their structural confirmation and physiochemical properties namely thermal stability, phase transition, density, heat capacity (Cp) and refractive index (RI) have been determined. Specifically, [TRIETOHA] APILs have crystallization peaks ranging from -31.67 to -1.00 °C, owing to their large density values. A comparison study revealed the low Cp values of APILs in comparison to monoethanolamine (MEA) which could be advantageous for APILs to be used in CO2 separation during recyclability processes. Additionally, the performance of APILs toward CO2 absorption was investigated by using a pressure drop technique under a pressure range of 1-20 bar at 298.15 K. It was observed that [TBA][C7] recorded the highest CO2 absorption capacity with the value of 0.74 mole fraction at 20 bar. Additionally, the regeneration of [TBA][C7] for CO2 absorption was studied. Analysis of the measured CO2 absorption data showed marginal reduction in the mole fraction of CO2 absorbed between fresh and recycled [TBA][C7] thus proving the promising potential of APILs as good liquid absorbents for CO2 removal.
Hexagonal boron nitride (h-BN) has been widely utilized in various strategic applications. Fine-tuning properties of BN towards the desired application often involves ad-atom adsorption of modifying its geometries through creating surface defects. This work utilizes accurate DFT computations to investigate adsorption of selected 1st and 2nd row elements (H, Li, C, O, Al, Si, P, S) of the periodic table on various structural geometries of BN. The underlying aim is to assess the change in key electronic properties upon the adsorption process. In addition to the pristine BN, B and N vacancies were comprehensively considered and a large array of properties (i.e., atomic charges, adsorption energies, density of states) were computed and contrasted among the eight elements. For instance, we found that the band gap to vary between 0.33 eV (in case of Li) and 4.14 eV (in case of P). Likewise, we have illustrated that magnetic contribution to differ substantially depending on the adatom adsorbents. Results from this work has also lays a theoretical foundation for the use of decorated and defected BN as a chemical sensor for CO gases.
This study performs an appraisal of the adsorptive capacity of amidoxime-modified poly(acrylonitrile-co-acrylic acid) or abbreviated as (AO-modified poly(AN-co-AA)) for the p-nitrophenol (PNP) adsorption, from aquatic environments via batch system. The AO-modified poly(AN-co-AA) polymer was developed with redox polymerization, and then altered by using hydroxylamine hydrochloride (HH). Tools used to describe the physicochemical and morphological characteristics of the AO-modified poly(AN-co-AA) were Fourier transform infrared (FTIR) spectroscopy, CHN elemental analysis, X-ray diffraction analysis (XRD) and scanning electron microscopy (SEM). The adsorption kinetics were examined by pseudo-first order, pseudo-second order, Elovich and intraparticle diffusion kinetic models. Meanwhile, the isotherms were investigated by Langmuir, Freundlich, Temkin and Redlich-Peterson models. It was found that the adsorption was best fitted with pseudo-second order, and agreed with both Langmuir and Freundlich isotherm models. It was described best with the Freundlich isotherm due to highest R 2 (0.999). The maximum adsorption capacity was 143.06 mg g-1 at 298 K, and thermodynamic functions showed that the adsorption process was exothermic. Also, following five regeneration cycles, the adsorbent recorded 71.7% regeneration efficiency. The finding in this study indicates that the AO-modified poly(AN-co-AA) is an effective adsorbent to remove PNP from an aqueous solution.
Large (mega) Stokes shift molecules have shown great potential in white light emission for optoelectronic applications, such as flat panel display technology, light-emitting diodes, photosensitizers, molecular probes, cellular and bioimaging, and other applications. This review aims to summarize recent developments of white light generation that incorporate a large Stokes shift component, key approaches to designing large Stokes shift molecules, perspectives on future opportunities, and remaining challenges confronting this emerging research field. After a brief introduction of feasible pathways in generating white light, exemplifications of large Stokes shift molecules as white light candidates from organic and inorganic-based materials are illustrated. Various possible ways to design such molecules have been revealed by integrating the photophysical mechanisms that are essential to produce red-shifted emission upon photoexcitation, such as excited state intramolecular proton transfer (ESIPT), intramolecular charge transfer (ICT), excited state geometrical relaxation or structural deformation, aggregation-induced emission (AIE) alongside the different formations of aggregates, interplay between monomer and excimer emission, host-guest interaction, and lastly metal to ligand charge transfer (MLCT) via harvesting triplet state. Furthermore, previously reported fluorescent materials are described and categorized based on luminescence behaviors on account of the Stokes shifts value. This review will serve as a rationalized introduction and reference for researchers who are interested in exploring large or mega Stokes shift molecules, and will motivate new strategies along with instigation of persistent efforts in this prominent subject area with great avenues.
Saponin is a plant-derived chemical with an amphiphilic glycoconjugate structure extracted from sapindaceae plants like Sapindus rarak. This study investigated saponin extract of Sapindus rarak as a natural template for formation of mesoporous zeolite Y. Surface area and mesoporosity of zeolite Y were improved with optimization of Sapindus rarak extract (SRE) concentration (Y-Ln; n = 2, 5, 10 or 15 mL), reaching 216.26 m2 mesoporous area and 0.214 cm3 g-1 mesoporous volume for Y-L10 samples. A different loading of Ni was impregnated onto Y-L10 zeolite to improve Lewis/Brønsted acidity as catalysts in the deoxygenation of Reutealis trisperma oil (RTO) into hydrocarbon fuels. Impregnating 15% Ni on NaY zeolite enhanced Lewis acidity to 0.4556 mmol g-1, producing 48.8% liquid oil with 85.43% degree of deoxygenation. A high selectivity towards C15 and C17 hydrocarbon was analyzed from liquid yield, indicating the contributing factor from Lewis acidity and mesoporosity to enhance deoxygenation and prevent the hydrocracking reaction.
Brucea javanica (L.) Merr. is a well-known plant in Chinese System of Medicine. Its fruits and seeds have been reported to possess curative properties against various ailments. The chemical constituents and biological activity of this plant have been an interesting area in plant and chemistry medicine. The aim of this study is to evaluate the antiproliferative effects of the B. javanica extract against a colon cancer cell line and identification of the chemical components derived from the extract. An ethanolic extract from B. javanica fruits was prepared by cold maceration method, subjected to LC-MS profiling to elucidate the composition abbreviated as BJEE. The extract was screened for the cytotoxicity effects on HCT-116 colon cancer cells via MTT and LDH methods. Additionally, AO/PI staining verified apoptosis features in HCT-116 cells through microscopic analysis. ROS, caspase activity, and gene expression has been performed to identify its possible mechanism of actions which contribute to apoptosis. Output data from this study showed BJEE inhibited the cell proliferation of HCT-116 colon cancer cells at IC50 value of 8.9 ± 1.32 (μg mL-1) and significantly increased the levels of caspase-8, 9, and 3/7 in treated cells in comparison to untreated. The changes in expression of caspase genes and some apoptosis genes like Bax and Bcl-2 were confirmed using RT-PCR. Phytochemical analysis by LC-MS identified six major active compounds (bruceine D, isobrucein A, quassimarin, C16 sphinganine, phytosphingosine, and enigmol) in BJEE that may play a key role in cell apoptosis. The current study showed BJEE could be a promising agent for colorectal cancer therapy by significant increase in caspase activity level, and up-regulation of the specific apoptotic genes.
The removal of particles using fluoropolymer-based membrane filters is usually done so to prolong the life span of an analytical column, prevent hardware damage, and reduce signal suppression. Ironically, these membrane filters tend to leach impurities into the samples as the samples are filtered through them. These impurities have the potential to affect the researcher's interpretation in high-throughput, non-targeted analysis. In this study, extractable impurities from different brands of fluoropolymer-based membrane filters present in the filtrate filtered using the said filters were investigated. The results demonstrated that different brand membrane filters and materials tend to elute vastly different numbers of impurities. There were instances whereby the extractable impurities persisted in both the membrane filter and the filtrate despite the filter being pre-conditioned (up to 3 times). Principle component analysis revealed that filtrates at different purge intervals are distant from the unfiltered samples. Pre-conditioning of the PTFE membrane filters could potentially reduce the number of extractable impurities across the tested brands. PVDF filtrates, however, tend to co-cluster with their respective brands, thus suggesting that dissimilarity persists in brands following conditioning. As such, pre-conditioning of the PTFE membrane filters should be encouraged so as to reduce false positive results, while the use of PVDF membrane filters for mass-spectrometry-based untargeted analysis is not advisable as extractable impurities would still persist after 3 rounds of conditioning. Neither the use of different filter brands, nor the use of different filter materials in a sample batch are encouraged as different membrane materials or brands could potentially elute varying impurities.
Skin cancer is the most common form of cancer and is globally rising. Historically, the diagnosis of skin cancers has depended on various conventional techniques which are of an invasive manner. A variety of commercial diagnostic tools and auxiliary techniques are available to detect skin cancer. This article explains in detail the principles and approaches involved for non-invasive skin cancer diagnostic methods such as photography, dermoscopy, sonography, confocal microscopy, Raman spectroscopy, fluorescence spectroscopy, terahertz spectroscopy, optical coherence tomography, the multispectral imaging technique, thermography, electrical bio-impedance, tape stripping and computer-aided analysis. The characteristics of an ideal screening test are outlined, and the authors pose several points for clinicians and scientists to consider in the evaluation of current and future studies of skin cancer detection and diagnosis. This comprehensive review critically analyses the literature associated with the field and summarises the recent updates along with their merits and demerits.
A highly selective, one-pot, three-component synthesis of novel 2-alkyl-substituted 4-aminoimidazo[1,2-a][1,3,5]triazines has been developed. The scope of the method was explored in two dimensions, varying the structures of trialkyl orthoesters and 2-aminoimidazoles in their reactions with cyanamide. Conveniently performed under microwave irradiation, this method was also proved to be efficient under conventional heating. A library of 24 novel compounds was prepared in high purity using this multicomponent approach. Molecular and crystal structures of representative molecules were studied using X-ray crystallography.
A new variant of SARS-CoV-2 known as the omicron variant (B.1.1.529) reported in South Africa with 30 mutations in the whole spike protein, among which 15 mutations are in the receptor-binding domain, is continuously spreading exponentially around the world. The omicron variant is reported to be highly contagious with antibody-escaping activity. The emergence of antibody-escaping variants is alarming, and thus the quick discovery of small molecule inhibitors is needed. Hence, the current study uses computational drug screening and molecular dynamics simulation approaches (replicated) to identify novel drugs that can inhibit the binding of the receptor-binding domain (RBD) with hACE2. Screening of the North African, East African and North-East African medicinal compound databases by employing a multi-step screening approach revealed four compounds, namely (-)-pipoxide (C1), 2-(p-hydroxybenzyl) benzofuran-6-ol (C2), 1-(4-hydroxy-3-methoxyphenyl)-2-{4-[(E)-3-hydroxy-1-propenyl]-2-methoxyphenoxy}-1,3-propanediol (C3), and Rhein (C4), with excellent anti-viral properties against the RBD of the omicron variant. Investigation of the dynamics demonstrates stable behavior, good residue flexibility profiles, and structural compactness. Validation of the top hits using computational bioactivity analysis, binding free energy calculations and dissociation constant (K D) analysis also indicated the anti-viral properties of these compounds. In conclusion, this study will help in the design and discovery of novel drug therapeutics, which may be used against the emerging omicron variant of SARS-CoV-2.