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Showing papers in "RSC Advances in 2022"


Journal ArticleDOI
TL;DR: In this paper , a multi-mode surface plasmon resonance absorber based on dart-type single-layer graphene is proposed, which has the advantages of polarization independence, tunability, high sensitivity, high figure of merit, etc.
Abstract: In this paper, a multi-mode surface plasmon resonance absorber based on dart-type single-layer graphene is proposed, which has the advantages of polarization independence, tunability, high sensitivity, high figure of merit, etc. The device consists of a top layer dart-like patterned single-layer graphene array, a thicker silicon dioxide spacer layer and a metal reflector layer, and has simple structural characteristics. The numerical results show that the device achieves the perfect polarization-independent absorption at the resonance wavelengths of λI = 3369.55 nm, λII = 3508.35 nm, λIII = 3689.09 nm and λIV = 4257.72 nm, with the absorption efficiencies of 99.78%, 99.40%, 99.04% and 99.91%, respectively. The absorption effect of the absorber can be effectively regulated and controlled by adjusting the numerical values such as the geometric parameters and the structural period p of the single-layer graphene array. In addition, by controlling the chemical potential and the relaxation time of the graphene layer, the resonant wavelength and the absorption efficiency of the mode can be dynamically tuned. And can keep high absorption in a wide incident angle range of 0° to 50°. At last, we exposed the structure to different environmental refractive indices, and obtained the corresponding maximum sensitivities in four resonance modes, which are SI = 635.75 nm RIU−1, SII = 695.13 nm RIU−1, SIII = 775.38 nm RIU−1 and SIV = 839.39 nm RIU−1. Maximum figure of merit are 54.03 RIU−1, 51.49 RIU−1, 43.56 RIU−1, and 52.14 RIU−1, respectively. Therefore, this study has provided a new inspiration for the design of the graphene-based tunable multi-band perfect metamaterial absorber, which can be applied to the fields such as photodetectors and chemical sensors.

217 citations


Journal ArticleDOI
TL;DR: In this paper , the common features of tannic acid are summarized in detail, followed by the introduction of covalent and non-covalent crosslinking methods leading to various Tannic-acid-based materials.
Abstract: With the thriving of mussel-inspired polyphenol chemistry as well as the demand for low-cost analogues to polydopamine in adhesive design, tannic acid has gradually become a research focus because of its wide availability, health benefits and special chemical properties. As a natural building block, tannic acid could be used as a crosslinker either supramolecularly or chemically, ensuring versatile functional polymeric networks for various applications. Up to now, a systematic summary on tannic-acid-based networks has still been waiting for an update and outlook. In this review, the common features of tannic acid are summarized in detail, followed by the introduction of covalent and non-covalent crosslinking methods leading to various tannic-acid-based materials. Moreover, recent progress in the application of tannic acid composites is also summarized, including bone regeneration, skin adhesives, wound dressings, drug loading and photothermal conversion. Above all, we also provide further prospects concerning tannic-acid-crosslinked materials.

54 citations


Journal ArticleDOI
TL;DR: In this article , the sources of CO2 emission, the strategies for minimizing CO2 emissions, and CO2 sequestration are discussed, and the technologies for CO2 capture, separation, and storage are highlighted.
Abstract: Anthropogenic carbon dioxide (CO2) emissions have dramatically increased since the industrial revolution, building up in the atmosphere and causing global warming. Sustainable CO2 capture, utilization, and storage (CCUS) techniques are required, and materials and technologies for CO2 capture, conversion, and utilization are of interest. Different CCUS methods such as adsorption, absorption, biochemical, and membrane methods are being developed. Besides, there has been a good advancement in CO2 conversion into viable products, such as photoreduction of CO2 using sunlight into hydrocarbon fuels, including methane and methanol, which is a promising method to use CO2 as fuel feedstock using the advantages of solar energy. There are several methods and various materials used for CO2 conversion. Also, efficient nanostructured catalysts are used for CO2 photoreduction. This review discusses the sources of CO2 emission, the strategies for minimizing CO2 emissions, and CO2 sequestration. In addition, the review highlights the technologies for CO2 capture, separation, and storage. Two categories, non-conversion utilization (direct use) of CO2 and conversion of CO2 to chemicals and energy products, are used to classify different forms of CO2 utilization. Direct utilization of CO2 includes enhanced oil and gas recovery, welding, foaming, and propellants, and the use of supercritical CO2 as a solvent. The conversion of CO2 into chemicals and energy products via chemical processes and photosynthesis is a promising way to reduce CO2 emissions and generate more economically valuable chemicals. Different catalytic systems, such as inorganics, organics, biological, and hybrid systems, are provided. Lastly, a summary and perspectives on this emerging research field are presented.

50 citations


Journal ArticleDOI
TL;DR: In this paper , a single-atom Au doped Co-based nanosheets (NSs) were employed to theoretically and experimentally evaluate the OER activity and also the interaction between Co and Au.
Abstract: Oxygen evolution reaction (OER) has attracted enormous interest as a key process for water electrolysis over the past years. The advance of this process relies on an effective catalyst. Herein, we employed single-atom Au doped Co-based nanosheets (NSs) to theoretically and experimentally evaluate the OER activity and also the interaction between Co and Au. We reveal that Au–Co(OH)2 NSs achieved a low overpotential of 0.26 V at 10 mA cm−2. This extraordinary phenomenon presents an overall superior performance greater than state-of-the-art Co-based catalysts in a sequence of α-Co(OH)2 < Co3O4 < CoOOH < Au–Co(OH)2. With ab initio calculations and analysis in the specific Au–Co(OH)2 configuration, we reveal that OER on highly active Au–Co(OH)2 originates from lattice oxygen, which is different from the conventional adsorbate evolution scheme. Explicitly, the configuration of Au–Co(OH)2 gives rise to oxygen non-bonding (ONB) states and oxygen holes, allowing direct O–O bond formation by a couple of oxidized oxygen with oxygen holes, offering a high OER activity. This study provides new insights for elucidating the origins of activity and synthesizing efficient OER electrocatalysts.

48 citations


Journal ArticleDOI
TL;DR: In this paper , the P@MoS2-QD surface was investigated using density functional theory (DFT) computation to understand their mechanistic sensing ability, such as conductivity, selectivity, and sensitivity toward NH3 gas.
Abstract: 2D transition metal dichalcogenide MoS2 monolayer quantum dots (MoS2-QD) and their doped boron (B@MoS2-QD), nitrogen (N@MoS2-QD), phosphorus (P@MoS2-QD), and silicon (Si@MoS2-QD) surfaces have been theoretically investigated using density functional theory (DFT) computation to understand their mechanistic sensing ability, such as conductivity, selectivity, and sensitivity toward NH3 gas. The results from electronic properties showed that P@MoS2-QD had the lowest energy gap, which indicated an increase in electrical conductivity and better adsorption behavior. By carrying out comparative adsorption studies using m062-X, ωB97XD, B3LYP, and PBE0 methods at the 6-311G++(d,p) level of theory, the most negative values were observed from ωB97XD for the P@MoS2-QD surface, signifying the preferred chemisorption surface for NH3 detection. The mechanistic studies provided in this study also indicate that the P@MoS2-QD dopant is a promising sensing material for monitoring ammonia gas in the real world. We hope this research work will provide informative knowledge for experimental researchers to realize the potential of MoS2 dopants, specifically the P@MoS2-QD surface, as a promising candidate for sensors to detect gas.

48 citations


Journal ArticleDOI
TL;DR: In this paper , the authors showed that ZnO@N-doped C has a lower bandgap (2.07 eV) than ZIF-8 (4.34 eV).
Abstract: Removing organic contaminants such as dyes from water is essential to purify wastewater. Herein, zeolitic imidazolate framework-8 (ZIF-8) and ZnO@N-doped C are reported as effective adsorbents and photocatalysts for the adsorption and degradation of organic dyes. The materials showed effective and selective adsorption toward anionic dyes such as methyl blue (MeB) dye in the presence of fluorescein (FLU) dye. The adsorption capacities of ZnO@N-doped C for MeB and FLU dyes are 900 mg g−1 and 100 mg g−1, respectively. According to UV-Vis diffuse reflectance spectroscopy (DRS) data, ZnO@N-doped C has a lower bandgap (2.07 eV) than ZIF-8 (4.34 eV) and ZnO (3.12 eV). Thus, ZnO@N-doped C serves as an effective photocatalyst for the degradation of both dyes under UV exposure. The degradation efficiency capacity of the dye (50 mg L−1) is >90% using 200 mg L−1 of the photocatalyst. The mechanism of adsorption and photocatalysis is investigated. The photodegradation pathway of the dye involved the generation of oxidative hydroxy radicals (OH˙), which can degrade the dyes. The degradation products of FLU were recorded using mass spectrometry.

43 citations


Journal ArticleDOI
TL;DR: In this article , an in-depth look at the use of metal-organic frameworks (MOFs) nanofiber materials for HMIs removal applications is provided and an understanding of the opportunities and challenges that will arise in the synthesis of future MOFs-nanofiber composites in this area.
Abstract: Environmental heavy metal ions (HMIs) accumulate in living organisms and cause various diseases. Metal–organic frameworks (MOFs) have proven to be promising and effective materials for removing heavy metal ions from contaminated water because of their high porosity, remarkable physical and chemical properties, and high specific surface area. MOFs are self-assembling metal ions or clusters with organic linkers. Metals are used as dowel pins to build two-dimensional or three-dimensional frameworks, and organic linkers serve as carriers. Modern research has mainly focused on designing MOFs-based materials with improved adsorption and separation properties. In this review, for the first time, an in-depth look at the use of MOFs nanofiber materials for HMIs removal applications is provided. This review will focus on the synthesis, properties, and recent advances and provide an understanding of the opportunities and challenges that will arise in the synthesis of future MOFs–nanofiber composites in this area. MOFs decorated on nanofibers possess rapid adsorption kinetics, a high adsorption capacity, excellent selectivity, and good reusability. In addition, the substantial adsorption capacities are mainly due to interactions between the target ions and functional binding groups on the MOFs–nanofiber composites and the highly ordered porous structure.

34 citations


Journal ArticleDOI
TL;DR: In this article , a comprehensive overview of recent advances in phosphate removal by alginate-based adsorbents is presented, where modifications of alginates by various materials, including clays, magnetic materials, layered double hydroxides, carbon materials, and multivalent metals, are addressed.
Abstract: The huge development of the industrial sector has resulted in the release of large quantities of phosphate anions which adversely affect the environment, human health, and aquatic ecosystems. Naturally occurring biopolymers have attracted considerable attention as efficient adsorbents for phosphate anions due to their biocompatibility, biodegradability, environmentally-friendly nature, low-cost production, availability in nature, and ease of modification. Amongst them, alginate-based adsorbents are considered one of the most effective adsorbents for removing various types of pollutants from industrial wastewater. The presence of active COOH and OH− groups along the alginate backbone facilitate its physical and chemical modifications and participate in various possible adsorption mechanisms of phosphate anions. Herein, we focus our attention on presenting a comprehensive overview of recent advances in phosphate removal by alginate-based adsorbents. Modification of alginate by various materials, including clays, magnetic materials, layered double hydroxides, carbon materials, and multivalent metals, is addressed. The adsorption potentials of these modified forms for removing phosphate anions, in addition to their adsorption mechanisms are clearly discussed. It is concluded that ion exchange, complexation, precipitation, Lewis acid–base interaction and electrostatic interaction are the most common adsorption mechanisms of phosphate removal by alginate-based adsorbents. Pseudo-2nd order and Freundlich isotherms were figured out to be the major kinetic and isotherm models for the removal process of phosphate. The research findings revealed that some issues, including the high cost of production, leaching, and low efficiency of recyclability of alginate-based adsorbents still need to be resolved. Future trends that could inspire further studies to find the best solutions for removing phosphate anions from aquatic systems are also elaborated, such as the synthesis of magnetic-based alginate and various-shaped alginate nanocomposites that are capable of preventing the leaching of the active materials.

34 citations


Journal ArticleDOI
TL;DR: In this paper , the basic perceptions of the green synthesis of metal nanoparticles and their supported-catalyst-based reduction of 4-nitrophenol (4-NP) to 4-aminophenol(4-AP) are discussed.
Abstract: Noble metal (silver (Ag), gold (Au), platinum (Pt), and palladium (Pd)) nanoparticles have gained increasing attention due to their importance in several research fields such as environmental and medical research. This review focuses on the basic perceptions of the green synthesis of metal nanoparticles and their supported-catalyst-based reduction of 4-nitrophenol (4-NP) to 4-aminophenol (4-AP). The mechanisms for the formation of these nanoparticles and the catalytic reduction of 4-NP are discussed. Furthermore, the parameters that need to be considered in the catalytic efficiency calculations and perspectives for future studies are also discussed.

33 citations


Journal ArticleDOI
TL;DR: In this paper , the intrinsic and extrinsic defects in graphene are introduced to tailor electronic and magnetic properties and take advantage of their hidden potential for potential applications such as electronic devices, transparent electrodes, and spintronic devices.
Abstract: Pristine graphene has been considered one of the most promising materials because of its excellent physical and chemical properties. However, various defects in graphene produced during synthesis or fabrication hinder its performance for applications such as electronic devices, transparent electrodes, and spintronic devices. Due to its intrinsic bandgap and nonmagnetic nature, it cannot be used in nanoelectronics or spintronics. Intrinsic and extrinsic defects are ultimately introduced to tailor electronic and magnetic properties and take advantage of their hidden potential. This article emphasizes the current advancement of intrinsic and extrinsic defects in graphene for potential applications. We also discuss the limitations and outlook for such defects in graphene.

32 citations


Journal ArticleDOI
TL;DR: In this article , the structural, stoichiometric, and compositional flexibility of perovskite photocatalyst materials have been discussed and various mechanisms involved in photocatalysis application from wastewater treatment to hydrogen production are also provided.
Abstract: The massive use of non-renewable energy resources by humankind to fulfill their energy demands is causing severe environmental issues. Photocatalysis is considered one of the potential solutions for a clean and sustainable future because of its cleanliness, inexhaustibility, efficiency, and cost-effectiveness. Significant efforts have been made to design highly proficient photocatalyst materials for various applications such as water pollutant degradation, water splitting, CO2 reduction, and nitrogen fixation. Perovskite photocatalyst materials are gained special attention due to their exceptional properties because of their flexibility in chemical composition, structure, bandgap, oxidation states, and valence states. The current review is focused on perovskite materials and their applications in photocatalysis. Special attention has been given to the structural, stoichiometric, and compositional flexibility of perovskite photocatalyst materials. The photocatalytic activity of perovskite materials in different photocatalysis applications is also discussed. Various mechanisms involved in photocatalysis application from wastewater treatment to hydrogen production are also provided. The key objective of this review is to encapsulate the role of perovskite materials in photocatalysis along with their fundamental properties to provide valuable insight for addressing future environmental challenges.

Journal ArticleDOI
TL;DR: In this article , a tunable sensing detector based on bulk Dirac semimetals (BDS) was proposed, and the authors analyzed the cause of the absorption peak by using random phase approximation theory.
Abstract: This paper proposes a tunable sensing detector based on Bulk Dirac semimetals (BDS). The bottom-middle-top structure of the detector is a metal-dielectric-Dirac semimetal. The designed detector is simulated in the frequency domain by the finite element method (FEM). And the simulation results indicate that the detector achieves three perfect absorption peaks with absorptivity greater than 99.8% in the range of 2.4–5.2 THz. We analyze the cause of the absorption peak by using random phase approximation theory. The device exhibits good angular insensitivity in different incident angle ranges, and the three absorption peaks can reach 90% absorption rate when the incident angle is in the ranges of 0–60°. And when adjusting the Fermi level of BDS in the ranges of 0.1–0.5 eV, our detector can realize the frequency regulation of the ultra-wide range of 3.90–4.56 THz and realize multi-frequency controllable sensing while maintain the absorption efficiency above 96%. The detector has maximum sensitivity S of 238.0 GHz per RIU when the external environment of the refractive index changes from 1.0 to 1.8, and the maximum detection accuracy is 6.5. The device has broad development prospects in the field of space detection and high-sensitivity biosensing detection.

Journal ArticleDOI
TL;DR: In this paper , the synthesis of hercynite@sulfuric acid as a novel nanomagnetic solid acid catalyst, containing the sulfuric acid catalytic sites on the surface of herymnite MNPs as the catalytic support, was reported.
Abstract: Herein, we report the synthesis of hercynite@sulfuric acid as a novel nanomagnetic solid acid catalyst, containing the sulfuric acid catalytic sites on the surface of hercynite MNPs as the catalytic support. The as-synthesized nanocomposite was meticulously characterized using a wide range of physicochemical techniques; including, FT-IR, XRD, EDX, X-ray-mapping, SEM and VSM analysis. The catalytic activity of this nanomagnetic material was considered for the synthesis of the diversely substituted polyhydroquinolines and 2,3-dihydroquinazolin-4(1H)-ones under solvent free conditions and also cyclocondensation reactions in ethanol, respectively affording good to excellent yields. Moreover, it is worth mentioning that the heterogeneity of the catalyst was measured through its excellent reusability and hot-filtration test.

Journal ArticleDOI
TL;DR: In this paper , Sargassum muticum mediated zinc oxide nanoparticles (ZnO-NPs) were proved to be photocatalytic and anti-microbial agents.
Abstract: Drug-resistant superbugs (DRS) were isolated from hospital sewage waste and confirmed by a 16S rDNA molecular technique as B. filamentosus, B. flexus, P. stutzeri, and A. baumannii. Green nanotechnologies provide a new promising alternative pathway that was found to be much safer, eco-friendly, and has economic benefits over physical/chemical methods. Sargassum muticum (SM) mediated zinc oxide nanoparticles (ZnO-NPs) were proved to be photocatalytic and anti-microbial agents. Anti-microbial action was demonstrated by a maximal growth inhibition activity of 18 mm against A. baumannii and a minimal of 12 mm against B. flexus at 80 μg mL-1 concentrations. The anti-microbial mechanism of SMZnO-NPs employed a biphasic phenomenon persuaded by an osmotic shock that can attack the DRS bacterial cells directly and lead to death. In addition, photocatalytic activity was investigated by SMZnO-NPs for the degradation of methylene blue (MB) dye under different light conditions. Natural sunlight irradiation shows effective enhancement with the highest efficiencies of 96% being achieved within 60 min compared to UV-light and visible-light. The reusability of SMZnO-NPs provides up to 6 consecutive cycles towards MB decolorization for environmental water cleansing.

Journal ArticleDOI
TL;DR: In this article , the pyrolysis of Sargassum sp. was conducted in a temperature range of 400-600 °C and with retention times of 10-50 min.
Abstract: Sargassum is undoubtedly one of the most predominant brown macroalgae, posing a significant disposal problem for coastal areas worldwide. The effective valorization of Sargassum sp. would be beneficial not only for environmental mitigation but also for producing high-value chemicals. However, the valorization of Sargassum sp. for bio-oil and biochar production via slow pyrolysis has not been well studied yet. Hence, this study aimed to conduct a comprehensive investigation into bio-oil and biochar production from Sargassum sp. via slow pyrolysis to provide valuable data for further valorization. A batch reactor was employed, and the pyrolysis of Sargassum sp. was conducted in a temperature range of 400–600 °C and with retention times of 10–50 min. The results showed significant compounds could be identified in bio-oil from Sargassum sp., including carboxylic acids, furan derivatives, aliphatic hydrocarbons, and N-aromatic compounds. Based on the ultimate analysis, the H/C and O/C atomic ratios of biochar were lower than the feedstock, reflecting the occurrence of dehydration and decarboxylation reactions throughout the pyrolysis. Biochar exhibited calorific values in the range of 23.12–25.89 MJ kg−1, indicating it has more potential to be used as a solid fuel than low-ranked coals. Surface morphological analysis was performed by scanning electron microscopy (SEM) and showed a larger surface area in biochar than in the algal feedstock. Furthermore, a reaction model was deduced, and it was confirmed that the pyrolysis reaction obeyed the Arrhenius behaviour. Overall, the slow pyrolysis of Sargassum sp. provides an opportunity to obtain value-added chemicals and biochars, which could be further utilized for other applications.

Journal ArticleDOI
TL;DR: In this paper , the authors systematically review carbon quantum dot structure, their synthesis techniques, recent advancements, the effects of doping and surface engineering on their optical properties, and related photoluminescence models in detail.
Abstract: Carbon quantum dots are a new frontier in the field of fluorescent nanomaterials, and they exhibit fascinating properties such as biocompatibility, low toxicity, eco-friendliness, good water solubility and photostability. In addition, the synthesis of these nanoparticles is facile, rapid, and satisfies green chemistry principles. CQDs have easily tunable optical properties and have found applications in bioimaging, nanomedicine, drug delivery, solar cells, light-emitting diodes, photocatalysis, electrocatalysis and other related areas. This article systematically reviews carbon quantum dot structure, their synthesis techniques, recent advancements, the effects of doping and surface engineering on their optical properties, and related photoluminescence models in detail. The challenges associated with these nanomaterials and their prospects are discussed, and special emphasis has been placed on the application of carbon quantum dots in enhancing the performance of photovoltaics and white light-emitting diodes.

Journal ArticleDOI
TL;DR: In this paper , the authors present the recent advances in chemistry, medicinal potential and pharmacological applications of quinoline motifs to unveil their substantial efficacies for future drug development.
Abstract: Quinoline, which consists of benzene fused with N-heterocyclic pyridine, has received considerable attention as a core template in drug design because of its broad spectrum of bioactivity. This review aims to present the recent advances in chemistry, medicinal potential and pharmacological applications of quinoline motifs to unveil their substantial efficacies for future drug development. Essential information in all the current and available literature used was accessed and retrieved using different search engines and databases, including Scopus, ISI Web of Knowledge, Google and PUBMED. Numerous derivatives of the bioactive quinolines have been harnessed via expeditious synthetic approaches, as highlighted herein. This review reveals that quinoline is an indisputable pharmacophore due to its tremendous benefits in medicinal chemistry research and other valuable areas of human endeavour. The recent in vivo and in vitro screening reported by scientists is highlighted herein, which may pave the way for novel drug development. Owing to the array of information available and highlighted herein on the medicinal potential of quinoline and its functionalized derivatives, a new window of opportunity may be opened to medicinal chemists to access more biomolecular quinolines for future drug development.

Journal ArticleDOI
TL;DR: In this paper , a comprehensive review highlights an overall concept and in-depth knowledge on integrated, cost-effective cross-disciplinary solutions for domestic and industrial (textile dyes) WW and for harnessing renewable energy.
Abstract: Globally, textile dyeing and manufacturing are one of the largest industrial units releasing huge amount of wastewater (WW) with refractory compounds such as dyes and pigments. Currently, wastewater treatment has been viewed as an industrial opportunity for rejuvenating fresh water resources and it is highly required in water stressed countries. This comprehensive review highlights an overall concept and in-depth knowledge on integrated, cost-effective cross-disciplinary solutions for domestic and industrial (textile dyes) WW and for harnessing renewable energy. This basic concept entails parallel or sequential modes of treating two chemically different WW i.e., domestic and industrial in the same system. In this case, contemporary advancement in MFC/MEC (METs) based systems towards Microbial-Electro-Fenton Technology (MEFT) revealed a substantial emerging scope and opportunity. Principally the said technology is based upon previously established anaerobic digestion and electro-chemical (photo/UV/Fenton) processes in the disciplines of microbial biotechnology and electro-chemistry. It holds an added advantage to all previously establish technologies in terms of treatment and energy efficiency, minimal toxicity and sludge waste, and environmental sustainable. This review typically described different dyes and their ultimate fate in environment and recently developed hierarchy of MEFS. It revealed detail mechanisms and degradation rate of dyes typically in cathodic Fenton system under batch and continuous modes of different MEF reactors. Moreover, it described cost-effectiveness of the said technology in terms of energy budget (production and consumption), and the limitations related to reactor fabrication cost and design for future upgradation to large scale application.

Journal ArticleDOI
TL;DR: This review unifies the current advances in novel pyridine-based molecular frameworks and their unique clinical relevance as reported over the last two decades and highlights an inclination to the use of pyrazine-based molecules in drug crafting and the subsequent emergence of several potent and eligible candidates against a range of diversified diseases.
Abstract: The nitrogen-bearing heterocycle pyridine in its several analogous forms occupies an important position as a precious source of clinically useful agents in the field of medicinal chemistry research. This privileged scaffold has been consistently incorporated in a diverse range of drug candidates approved by the FDA (Food and Drug Administration). This moiety has attracted increasing attention from several disease states owing to its ease of parallelization and testing potential pertaining to the chemical space. In the next few years, a larger share of novel pyridine-based drug candidates is expected. This review unifies the current advances in novel pyridine-based molecular frameworks and their unique clinical relevance as reported over the last two decades. It highlights an inclination to the use of pyridine-based molecules in drug crafting and the subsequent emergence of several potent and eligible candidates against a range of diversified diseases.

Journal ArticleDOI
TL;DR: In this paper , aluminum/starch (St)-doped CaO nanoparticles were synthesized by a co-precipitation method to degrade harmful dyes in various pH media.
Abstract: In this work, aluminum/starch (St)-doped CaO nanoparticles (NPs) were synthesized by a co-precipitation method to degrade harmful dyes in various pH media. Systematic characterization was performed to investigate the influence of Al/St dopants on the composition, crystal structure, functional groups present, optical characteristics, and morphology of CaO NPs. Further hybrid density functional analyses corroborated that the band gap energy was reduced as the Al concentration in starch-doped CaO is increased. Optical absorption spectra of the synthesized materials revealed a redshift upon doping, which indicated depletion in the band gap energy of Al/St-doped CaO. PL spectroscopy showed that the intensity of CaO was reduced by the incorporation of Al and St assigned to minimum electron–hole pair recombination. Interlayer spacing and morphological features were determined by HR-TEM. HRTEM revealed that the control sample has cubic NPs and the incorporation of St showed overlapping around agglomerated NPs. The d-spacing of CaO was little enhanced by the inclusion of dopants. Experimental outcomes indicated that the addition of Co-dopants improved the catalytic potential of CaO NPs. Al (4%)/St-doped CaO NPs expressed a significant reduction of methylene blue in a basic environment. The maximum bactericidal performance was observed as 10.25 mm and 4.95 mm in the inhibition zone against S. aureus and E. coli, respectively, after the addition of Al and St in CaO.

Journal ArticleDOI
TL;DR: In this article , a cadmium chloride (CdCl2) additive source was used as an additive source for the perovskite precursor to improve its PV properties.
Abstract: With the increase in the importance of using green energy sources to meet the world's energy demands, attempts have been made to push perovskite solar cell technology toward industrialization all around the world. Improving the properties of perovskite materials as the heart of PSCs is one of the methods to fabricate favorable photovoltaic (PV) solar cells based on perovskites. Here, cadmium chloride (CdCl2) was used as an additive source for the perovskite precursor to improve its PV properties. Results indicated CdCl2 improves the perovskite growth and tailors its crystalline properties, suggesting boosted charge transport processes in the bulk and interfaces of the perovskite layer with electron–hole transport layers. Overall, by incorporation of 1.0% into the MAPbI3 layer, a maximum power conversion efficiency of 15.28% was recorded for perovskite-based solar cells, higher than the 12.17% for the control devices. The developed method not only improved the PV performance of devices but also boosted the stability behavior of solar cells due to the passivated domain boundaries and enhanced hydrophobicity in the CdCl2-based devices.

Journal ArticleDOI
TL;DR: This review systematically summarises the latest applications of CeO2-based nanozymes in cancer research and treatment and believes that this paper will help develop value-added CeO1 nanoZymes, offering great potential in the biotechnology industry and with great significance for the diagnosis and treatment of a wide range of malignancies.
Abstract: Cerium oxide nanozymes have emerged as a new type of bio-antioxidants in recent years. CeO2 nanozymes possess enzyme mimetic activities with outstanding free radical scavenging activity, facile synthesis conditions, and excellent biocompatibility. Based on these extraordinary properties, use of CeO2 nanozymes has been demonstrated to be a highly versatile therapeutic method for many diseases, such as for inflammation, rheumatoid arthritis, hepatic ischemia-reperfusion injury and Alzheimer's disease. In addition to that, CeO2 nanozymes have been widely used in the diagnosis and treatment of cancer. Many examples can be found in the literature, such as magnetic resonance detection, tumour marker detection, chemotherapy, radiotherapy, photodynamic therapy (PDT), and photothermal therapy (PTT). This review systematically summarises the latest applications of CeO2-based nanozymes in cancer research and treatment. We believe that this paper will help develop value-added CeO2 nanozymes, offering great potential in the biotechnology industry and with great significance for the diagnosis and treatment of a wide range of malignancies.

Journal ArticleDOI
TL;DR: In this article , the effects of various graphyne surface based complexes on hyperpolarizabilities, frontier molecular orbitals (FMOs), density of states (DOS), absorption maximum (λmax), binding energy (Eb), dipole moment (μ), electron density distribution map (EDDM), transition density matrix (TDM), electrostatic potential (ESP), vertical ionization energy(EVI) and electrical conductivity (σ) have been investigated.
Abstract: This research study addresses the computational simulations of optical and nonlinear optical (NLO) characteristics of silver (Ag) cluster doped graphyne (GY) complexes. By precisely following DFT and TD-DFT hypothetical computations, in-depth characterization of GY@Agcenter, GY@Agside, GY@2Agperpendicular, GY@2Agabove, and GY@3Agcenter is accomplished using CAM-B3LYP/LANL2DZ while the CAM-B3LYP/mixed basis set is used for study of 2GY@Agcenter, 2GY@Agside, 2GY@2Agperpendicular, 2GY@2Agabove, and 2GY@3Agcenter. The effects of various graphyne surface based complexes on hyperpolarizabilities, frontier molecular orbitals (FMOs), density of states (DOS), absorption maximum (λmax), binding energy (Eb), dipole moment (μ), electron density distribution map (EDDM), transition density matrix (TDM), electrostatic potential (ESP), vertical ionization energy (EVI) and electrical conductivity (σ) have been investigated. Infrared (IR), non-covalent interaction (NCI) analysis accompanied by isosurface are performed to study the vibrational frequencies and type of interaction. Doping strategies in all complexes impressively reformed charge transfer characteristics such as narrowing band gap (Eg) in the range of 2.58–4.73 eV and enhanced λmax lying in the range of 368–536 nm as compared to pure GY with 5.78 eV Eg and 265 nm λmax for (GY@Agcenter–GY@3Agcenter). In the case of (2GY@Agcenter–2GY@3Agcenter), when compared to 2GY with 5.58 eV Eg and 275 nm absorption, maximum doping techniques have more effectively modified λmax in the region of 400–548 nm and Eg, which is in the order of 2.55–4.62 eV. GY@3Agcenter and 2GY@3Agcenter reflected a noteworthy increment in linear polarizability αO (436.90 au) and (586 au) and the first hyperpolarizability βO (5048.77 au) and (17 270 au) because of their lowest excitation energy (ΔE) when studied in comparison with GY (αO = 281.54 and βO = 0.21 au) and 2GY surface (αO = 416 and βO = 0.06 au). Focusing on harmony between the tiny Ag clusters and graphyne surface as well as their influences on NLO properties, graphyne doping using its two-unit cells (2GY) is found to be expedient for the development of future nanoscale devices.

Journal ArticleDOI
TL;DR: In this article , the optical and radiation shielding characteristics of 15TiO2-70P2O5 − (15 − x) Li2O-x BaO x = (0 ≤ x ≤ 10 mol%) glasses were reported.
Abstract: The optical and radiation shielding characteristics of 15TiO2-70P2O5 – (15 − x) Li2O-x BaO x = (0 ≤ x ≤ 10 mol%) glasses were reported in this study. The glass status of the investigated samples was established by XRD. Although the molar volume decreases within 39.8–31.2 cm3 mol−1, the density was increased from 2.908 to 4.11 g cm−3 with the addition of BaO. UV-Vis-NIR spectroscopy was utilized for the examination of the optical characteristics of all compositions. Eindiropt. and Ediropt. both increased from 2.7 to 3.07 eV and 2.79 to 3.31 eV, while Eu decreased from 0.368 to 0.295 eV. Furthermore, the Phy-X/PSD code was used to evaluate the gamma-ray shielding parameter. Within the energy range of 15 keV to 15 MeV, the equivalent atomic number, as well as the EBF and EABF parameters, was evaluated. Overall, excellent material properties were detected for a glass with a high BaO content, which could be useful for future optical, shielding, and fast neutron shielding properties.

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TL;DR: In this article , the catalytic potential of the core-shell microgels denoted as P(STY@NIPM) was evaluated for the reductive reaction of 4-nitrophenol (4NP) under various reaction conditions.
Abstract: Polymer microgels containing a polystyrene core and poly(N-isopropylmethacrylamide) shell were synthesized in aqueous media following a free radical precipitation polymerization. Au nanoparticles were fabricated into the shell region of the core–shell microgels denoted as P(STY@NIPM) by the in situ reduction of chloroauric acid with sodium borohydride. Various characterization techniques such as transmission electron microscopy (TEM), ultraviolet–visible spectroscopy (UV-visible) and Fourier transform infrared spectroscopy (FTIR) were used for the characterization of Au–P(STY@NIPM). The catalytic potential of Au–P(STY@NIPM) toward the reductive reaction of 4-nitrophenol (4NP) under various reaction conditions was evaluated. The Arrhenius and Eyring parameters for the catalytic reduction of 4NP were determined to explore the process of catalysis. A variety of nitroarenes were converted successfully into their corresponding aminoarenes with good to excellent yields in the presence of the Au–P(STY@NIPM) system using NaBH4 as a reductant. The Au–P(STY@NIPM) system was found to be an efficient and recyclable catalyst with no significant loss in its catalytic efficiency.

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TL;DR: A variety of unique hybrid compounds provide an excellent toolkit for novel biological activity, e.g. anticancer and non-viral gene therapy (NVGT), and as templates for killing bacteria and preventing antibiotic drug resistance.
Abstract: The development of highly effective conjugate chemistry approaches is a way to improve the quality of drugs and of medicines. The aim of this paper is to highlight and review such hybrid compounds and the strategies underpinning their design. A variety of unique hybrid compounds provide an excellent toolkit for novel biological activity, e.g. anticancer and non-viral gene therapy (NVGT), and as templates for killing bacteria and preventing antibiotic drug resistance. First we discuss the anticancer potential of hybrid compounds, containing daunorubicin, benzyl- or tetrahydroisoquinoline-coumarin, and cytotoxic NSAID-pyrrolizidine/indolizine hybrids, then NVGT cationic lipid-based delivery agents, where steroids or long chain fatty acids as the lipid moiety are bound to polyamines as the cationic moiety. These polyamines can be linear as in spermidine or spermine, or on a polycyclic sugar template, aminoglycosides kanamycin and neomycin B, the latter substituted with six amino groups. They are highly efficient for the delivery of both fluorescent DNA and siRNA. Molecular precedents can be found for the design of hybrid compounds in the natural world, e.g., squalamine, the first representative of a previously unknown class of natural antibiotics of animal origin. These polyamine-bile acid (e.g. cholic acid type) conjugates display many exciting biological activities with the bile acids acting as a lipidic region and spermidine as the polycationic region. Analogues of squalamine can act as vectors in NVGT. Their natural role is as antibiotics. Novel antibacterial materials are urgently needed as recalcitrant bacterial infection is a worldwide problem for human health. Ribosome inhibitors founded upon dimers of tobramycin or neomycin, bound as ethers by a 1,6-hexyl linker or a more complex diether-disulfide linker, improved upon the antibiotic activity of aminoglycoside monomers by 20- to 1200-fold. Other hybrids, linked by click chemistry, conjugated ciprofloxacin to neomycin, trimethoprim, or tedizolid, which is now in clinical trials.

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TL;DR: In this article , a review of up-to-date knowledge and recent advancements on the essentiality, sources, and toxicological profile of nickel and its different compounds is presented.
Abstract: This review contains up-to-date knowledge and recent advancements on the essentiality, sources, and toxicological profile of nickel and its different compounds. Nickel is a recognized essential element for several important biological processes like the healthy growth of plants, animals, and soil/water microbes; though an excess amount of nickel intoxicates flora and fauna. Nickel is found to affect the photosynthetic function of higher plants; it can severely degrade soil fertility and causes many chronic diseases in humans. Due to the huge growth in the nickel industry and consumption of nickel-containing products, environmental pollution has become inevitable by the element nickel and also varieties of its by-products through all the phases of making, utilization and dumping. We have focused on the importance of agenda 2030 (UN 17 SDGs) during the preparation of the write-up and have highlighted goals 3, 6, 8, 9, 11, 12, 13, 14, and 15 by elaborately discussing associated points. The plausible molecular mechanism of nickel toxicity is presented in simple diagrams. The article elaborates on possible methods for remediation of nickel toxicity and the treatment of nickel dermatitis and nickel cancer. Recent advancements in the understanding of the dual aspects of nickel as beneficial and a carcinogen are the key subject of this article.

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TL;DR: The interest in acyl thioureas has continually been escalating owing to their extensive applications in diverse fields, such as synthetic precursors of new heterocycles, pharmacological and materials science, and technology as discussed by the authors .
Abstract: The interest in acyl thioureas has continually been escalating owing to their extensive applications in diverse fields, such as synthetic precursors of new heterocycles, pharmacological and materials science, and technology. These scaffolds exhibit a wide variety of biological activities such as antitumor, enzyme inhibitory, anti-bacterial, anti-fungal, and anti-malarial activities and find utilization as chemosensors, adhesives, flame retardants, thermal stabilizers, antioxidants, polymers and organocatalysts. In addition, the synthesis, and applications of coordination complexes of these ligands have also been overviewed. The current review is a continuation of our previous efforts in this area, focusing on the recent advancements during the period 2017 to present.

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TL;DR: Results revealed that most of the compounds showed superior cytotoxic activities against MCF-7 and HCT-116 with IC50 range (45–97 nM) and (6–99 nM), respectively, and moderate activity against HepG-2 withIC50 range of (48–90 nM" compared to sorafenib (IC50: 144, 176 and 19 nM, respectively).
Abstract: CDK2 inhibition is an appealing target for cancer treatment that targets tumor cells in a selective manner. A new set of small molecules featuring the privileged pyrazolo[3,4-d]pyrimidine and pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine scaffolds (4–13) as well as the thioglycoside derivatives (14, 15) were designed, and synthesized as novel CDK2 targeting compounds. The growth of the three examined cell lines was significantly inhibited by most of the prepared compounds. Results revealed that most of the compounds showed superior cytotoxic activities against MCF-7 and HCT-116 with IC50 range (45–97 nM) and (6–99 nM), respectively, and moderate activity against HepG-2 with IC50 range of (48–90 nM) compared to sorafenib (IC50: 144, 176 and 19 nM, respectively). Of these compounds, 14 & 15 showed the best cytotoxic activities against the three cell lines with IC50 values of 45, 6, and 48 nM and 46, 7, and 48 nM against MCF-7, HCT-116 and HepG-2, respectively. Enzymatic inhibitory activity against CDK2/cyclin A2 was achieved for the most potent anti-proliferative compounds. Compounds 14, 13 and 15 revealed the most significant inhibitory activity with IC50 values of 0.057 ± 0.003, 0.081 ± 0.004 and 0.119 ± 0.007 μM, respectively compared to sorafenib (0.184 ± 0.01 μM). Compound 14 displayed potent dual activity against the examined cell lines and CDK2, and was thus selected for further investigations. It exerted a significance alteration in cell cycle progression, in addition to apoptosis induction within HCT cells. Molecular docking simulation of the designed compounds confirmed the good fit into the CDK2 active site through the essential hydrogen bonding with Leu83. In silico ADMET studies and drug-likeness studies using a Boiled Egg chart showed suitable pharmacokinetic properties which helped in structure requirement prediction for the observed antitumor activity.

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TL;DR: In this article , a review of the Ni-rich NCM cathode active materials is presented, which summarizes the current progress in this research direction by including widely recognized research outputs and recent findings.
Abstract: Among the existing commercial cathodes, Ni-rich NCM are the most promising candidates for next-generation LIBs because of their high energy density, relatively good rate capability, and reasonable cycling performance. However, the surface degradation, mechanical failure and thermal instability of these materials are the major causes of cell performance decay and rapid capacity fading. This is a huge challenge to commercializing these materials widely for use in LIBs. In particular, the thermal instability of Ni-rich NCM cathode active materials is the main issue of LIBs safety hazards. Hence, this review will recapitulate the current progress in this research direction by including widely recognized research outputs and recent findings. Moreover, with an extensive collection of detailed mechanisms on atomic, molecular and micrometer scales, this review work can complement the previous failure, degradation and thermal instability studies of Ni-rich NMC. Finally, this review will summarize recent research focus and recommend future research directions for nickel-rich NCM cathodes.