Effect of Dietary Supplementation of Glycerol Monolaurate on Growth Performance, Digestive Enzymes, Serum Immune and Antioxidant Parameters, and Intestinal Morphology in Black Sea Bream.

An eight-week feeding trial was conducted to examine the impact of dietary supplementation with glycerol monolaurate (GML) on juvenile black sea bream. A basal diet was formulated containing 24% fish meal, while five additional diets were prepared, each supplemented with varying levels of GML: GML1 (0.01%), GML2 (0.02%), GML3 (0.04%), GML4 (0.08%), and GML5 (0.16%). Triplicate tanks were randomly allocated to each diet, each containing 20 fish with an initial weight of 1.55 ± 0.05 g. By the trial's end, the GML3 group displayed a notably higher final body weight (FBW), weight gain (WG), specific growth rate (SGR), and protein efficiency ratio (PER) compared to the other groups (p < 0.05), but the FCR was significantly higher in the control group. However, no significant differences were observed in the MFI, PPV, CF, HSI, IPF, VSI, or SR among the groups (p > 0.05). Regarding the proximate compositions of the dorsal muscle and whole body, no substantial differences were observed across the groups (p > 0.05). Additionally, there were no significant variations in digestive enzyme activity (p > 0.05), serum immune, or biochemical parameters in the midgut and hindgut among the treatment groups. But in the serum immune response IgM, C3 and C4 were significantly higher in the GML3 group as compared to the other groups (p < 0.05). However, the GML3 group exhibited significantly greater fore-intestinal villus height, crypt depth, villus height per crypt depth, and the number of goblet cells per villus compared to the other groups (p < 0.05). Overall, GML supplementation, particularly GML3, significantly improved growth indicators like the final body weight and intestinal morphology. While certain parameters remained unaffected, these findings suggest GML's potential as a beneficial dietary supplement in fish diets.

Metabolic Carcinogenesis.

Several types of environmental, chemical and metabolic carcinogens exist both exogenously and endogenously. Humans are daily exposed to aforementioned carcinogens through various sources such as through water, air and food or through metabolic and inflammatory products. This chapter will summarize the links between exogenous and endogenous carcinogen exposure and their metabolism with the cancer pathogenesis and associated risks. This chapter will also cover the carcinogens acquired through lifestyle factors like tobacco use and occupational exposures to different chemicals like asbestos, arsenic, chloroform, vinyl chloride, etc. Moreover, environmental carcinogens such as radiation, sunlight, diet, smoke, etc. will also be discussed in this chapter. Furthermore, there are certain carcinogens that require bio-activation and various human enzymes that play a vital role in the metabolic carcinogenesis will also be recapitulated. Necessary preventive measures against carcinogenic exposure from the exogenous environment are significant to be taken into account to reduce the risks associated with the carcinogens.

Ultra-pH-sensitive nanoparticle of gambogenic acid for tumor targeting therapy via anti-vascular strategy plus immunotherapy.

Although the combination of anti-vascular strategy plus immunotherapy has emerged as the optimal first-line treatment of hepatocellular carcinoma, lack of tumor targeting leads to low antitumor efficacy and serious side effect. Here, we report an ultra-pH-sensitive nanoparticle of gambogenic acid (GNA) encapsulated by poly(ethylene glycol)-poly(2-azepane ethyl methacrylate) (PEG-PAEMA) for tumor-targeting combined therapy of anti-vascular strategy plus immunotherapy. PEG-PAEMA-GNA nanoparticle was quite stable at pH 7.4 for 30 d. In contrast, it exerted size shrinkage, charge reversal and the release of GNA at pH 6.7 within 24 h. Moreover, PEG-PAEMA-GNA significantly enhanced the anti-vascular activity, membrane-disruptive capability and pro-apoptosis when pH changed from 7.4 to 6.7. Western blot analysis exhibits that PEG-PAEMA and its GNA nanoparticle facilitated the phosphorylation of STING protein. In vivo assays show that PEG-PAEMA-GNA not only displayed much higher tumor inhibition of 92 % than 37 % of free GNA, but also inhibited tumor vasculature, promoted the maturation of dendritic cells and recruited more cytotoxic t-lymphocytes for sufficient anti-vascular therapy and immunotherapy. All these results demonstrate that PEG-PAEMA-GNA displayed tumor-targeting combined treatment of anti-vascular therapy and immunotherapy. This study offers a simple and novel method for the combination of anti-vascular therapy and immunotherapy with high selectivity towards tumor.

Comprehensive assessment of carbon-, biomaterial- and inorganic-based adsorbents for the removal of the most hazardous heavy metal ions from wastewater.

Owing to the high cost of recycling waste, underdeveloped countries discharge industrial, agricultural, and anthropogenic effluents without pretreatment. As a result, pollutant-loaded waste enters water bodies. Among the diverse toxic contaminants, heavy metal ions are the most detrimental because of their chronic toxicity, non-degradability, prevalence, and bioaccumulation. The growing shortage of water resources demands the removal of heavy metal ions from wastewater. Three SDGs of the sustainability agenda of the United Nations appeal for clean water to protect life beneath water and on land depending on the water sources. Therefore, efficient environmentally friendly approaches for wastewater treatment are urgently required. In this regard, several methods have been developed for the removal of heavy metal ions from wastewater, including adsorption as the most widely used method owing to its eco-friendly, cost-effective, and sustainable nature. The present review discusses the progress in the preparation and application of various adsorbents based on carbon, micro-organisms, agricultural waste and inorganic materials for the extraction of toxic metal ions such as Pb2+, Cr6+, As3+, As5+, Hg2+ and Cd2+. Herein, we provide information on the role of the homogeneity and heterogeneity of adsorbents, kinetics of the adsorption of an adsorbate on the surface of an adsorbent, insights into adsorption reaction pathways, the mechanism of the sorption process, and the uptake of solutes from solution. The present review will be useful for researchers working on environmental protection and clean environment.

Significantly enhanced uranium extraction by intelligent light-driven nanorobot catchers with precise controllable moving trajectory.

Uranium, as the most essential resource for nuclear power production, provides 13% of global electricity demand, has attracted considerable attention. However, it is still a great challenge for uranium extraction from natural water like salt lakes as the background of high salinity and low concentration (3.3 ∼ 330 ppb). Meanwhile, current uranium extraction strategies are generally focus on extraction capacity or selectivity but neglect to enhance extraction rate. In this work, we designed a novel kind of NIR-driven intelligent nanorobots catchers (MSSA-AO) with amidoxime as claws for uranium capture, which showed almost 100% extraction rate and an ultrafast extraction rate. Importantly, high extraction capacity (221.5 mg g-1) and selectivity were taken into consideration as well as good regeneration performance. Furthermore, amidoxime NRCs boosted in extraction amount about 16.7% during the first 5 min with self-driving performance. Overall, this work suggests a new strategy for ultrafast extraction of uranium from natural water with low abundance selectively by self-propelled NRCs, showing great possibility in outdoor application and promising for meeting huge energy needs globally.

Nanostructured Design Cathode Materials for Magnesium-Ion Batteries.

Energy is undeniably one of the most fundamental requirements of the current generation. Solar and wind energy are sustainable and renewable energy sources; however, their unpredictability points to the development of energy storage systems (ESSs). There has been a substantial increase in the use of batteries, particularly lithium-ion batteries (LIBs), as ESSs. However, low rate capability and degradation due to electric load in long-range electric vehicles are pushing LIBs to their limits. As alternative ESSs, magnesium-ion batteries (MIBs) possess promising properties and advantages. Cathode materials play a crucial role in MIBs. In this regard, a variety of cathode materials, including Mn-based, Se-based, vanadium- and vanadium oxide-based, S-based, and Mg2+-containing cathodes, have been investigated by experimental and theoretical techniques. Results reveal that the discharge capacity, capacity retention, and cycle life of cathode materials need improvement. Nevertheless, maintaining the long-term stability of the electrode-electrolyte interface during high-voltage operation continues to be a hurdle in the execution of MIBs, despite the continuous research in this field. The current Review mainly focuses on the most recent nanostructured-design cathode materials in an attempt to draw attention to MIBs and promote the investigation of suitable cathode materials for this promising energy storage device.

Eucalyptus globulus Mediated Green Synthesis of Environmentally Benign Metal Based Nanostructures: A Review.

The progress in nanotechnology has effectively tackled and overcome numerous global issues, including climate change, environmental contamination, and various lethal diseases. The nanostructures being a vital part of nanotechnology have been synthesized employing different physicochemical methods. However, these methods are expensive, polluting, eco-unfriendly, and produce toxic byproducts. Green chemistry having exceptional attributes, such as cost-effectiveness, non-toxicity, higher stability, environment friendliness, ability to control size and shape, and superior performance, has emerged as a promising alternative to address the drawbacks of conventional approaches. Plant extracts are recognized as the best option for the biosynthesis of nanoparticles due to adherence to the environmentally benign route and sustainability agenda 2030 of the United Nations. In recent decades, phytosynthesized nanoparticles have gained much attention for different scientific applications. Eucalyptus globulus (blue gum) is an evergreen plant belonging to the family Myrtaceae, which is the targeted point of this review article. Herein, we mainly focus on the fabrication of nanoparticles, such as zinc oxide, copper oxide, iron oxide, lanthanum oxide, titanium dioxide, magnesium oxide, lead oxide, nickel oxide, gold, silver, and zirconium oxide, by utilizing Eucalyptus globulus extract and its essential oils. This review article aims to provide an overview of the synthesis, characterization results, and biomedical applications of nanoparticles synthesized using Eucalyptus globulus. The present study will be a better contribution to the readers and the students of environmental research.

Research on dye sensitized solar cells: recent advancement toward the various constituents of dye sensitized solar cells for efficiency enhancement and future prospects.

It is universally accepted that the financial advancement of a state is essentially dependent upon the energy sector as it is essential in the growth, development, and improvement of the farming, mechanical, and defense sectors. A dependable source of energy is expected to enhance society's expectation of everyday comforts. Modern industrial advancement, which is indispensable for any nation, relies upon electricity. The principal explanation behind the energy emergency is rapidly increasing the use of hydrocarbon resources. Thus, the use of renewable resources is essential to overcome this dilemma. The consumption of hydrocarbon fuels and their discharge has destructive consequences on our surroundings. Third-generation photovoltaic (solar) cells are latest encouraging option in solar cells. Currently, dye-sensitized solar cells (DSSC) utilize organic (natural and synthetic) dye and inorganic (ruthenium) as a sensitizer. The nature of this dye combined with different variables has brought about a change in its use. Natural dyes are a feasible alternative in comparison to expensive and rare ruthenium dye owing to their low cast, easy utility, abundant supply of resources, and no environmental threat. In this review, the dyes generally utilized in DSSC are discussed. The DSSC criteria and components are explained, and the progress in inorganic and natural dyes is monitored. Scientists involved in this emerging technology will benefit from this examination.

Photocatalytic Degradation of Food and Juices Dyes via Photocatalytic Nanomaterials Synthesized through Green Synthetic Route: A Systematic Review.

The unavailability of non-poisonous and hygienic food substances is the most challenging issue of the modern era. The uncontrolled usage of toxic colorant moieties in cosmetics and food manufacturing units leads to major threats to human life. The selection of environmentally benign approaches for the removal of these toxic dyes has gained the utmost attention from researchers in recent decades. This review article's main aim is the focus on the application of green-synthesized nanoparticles (NPs) for the photocatalytic degradation of toxic food dyes. The use of synthetic dyes in the food industry is a growing concern due to their harmful effects on human health and the environment. In recent years, photocatalytic degradation has emerged as an effective and eco-friendly method for the removal of these dyes from wastewater. This review discusses the various types of green-synthesized NPs that have been used for photocatalytic degradation (without the production of any secondary pollutant), including metal and metal oxide NPs. It also highlights the synthesis methods, characterization techniques, and photocatalytic efficiency of these NPs. Furthermore, the review explores the mechanisms involved in the photocatalytic degradation of toxic food dyes using green-synthesized NPs. Different factors that responsible for the photodegradation, are also highlighted. Advantages and disadvantages, as well as economic cost, are also discussed briefly. This review will be advantageous for the readers because it covers all aspects of dyes photodegradation. The future feature and limitations are also part of this review article. Overall, this review provides valuable insights into the potential of green-synthesized NPs as a promising alternative for the removal of toxic food dyes from wastewater.

Light-Driven Catalytic Activity of Green-Synthesized SnO2/WO3-x Hetero-nanostructures.

This work reports an environmentally friendly and economically feasible green synthesis of monometallic oxides (SnO2 and WO3) and their corresponding mixed metal oxide (SnO2/WO3-x) nanostructures from the aqueous Psidium guajava leaf extract for light-driven catalytic degradation of a major industrial contaminant, methylene blue (MB). P. guajava is a rich source of polyphenols that acts as a bio-reductant as well as a capping agent in the synthesis of nanostructures. The chemical composition and redox behavior of the green extract were investigated by liquid chromatography-mass spectrometry and cyclic voltammetry, respectively. Results acquired by X-ray diffraction and Fourier transform infrared spectroscopy confirm the successful formation of crystalline monometallic oxides (SnO2 and WO3) and bimetallic SnO2/WO3-x hetero-nanostructures capped with polyphenols. The structural and morphological aspects of the synthesized nanostructures were analyzed by transmission electron microscopy and scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy. Photocatalytic activity of the synthesized monometallic and hetero-nanostructures was investigated for the degradation of MB dye under UV light irradiation. Results indicate a higher photocatalytic degradation efficiency for mixed metal oxide nanostructures (93.5%) as compared to pristine monometallic oxides SnO2 (35.7%) and WO3 (74.5%). The hetero-metal oxide nanostructures prove to be better photocatalysts with reusability up to 3 cycles without any loss in degradation efficiency or stability. The enhanced photocatalytic efficiency is attributed to a synergistic effect in the hetero-nanostructures, efficient charge transportation, extended light absorption, and increased adsorption of dye due to the enlarged specific surface area.

Sulfonated PAM/PPy Cryogels with Lowered Evaporation Enthalpy for Highly Efficient Photothermal Water Evaporation.

Because of the increasing scarcity of water resources, the desalination of seawater by photothermal evaporation with harvested solar energy has gradually become a popular research topic. The interconnected macroporous cryogel prepared from polymerization and crosslinking below the freezing temperature of the reactant solution has an excellent performance in photothermal water evaporation after loading photothermal materials. In this study, polyacrylamide (PAM) cryogels were prepared by cryo-polymerization and sulfonated in an alkaline solution containing formaldehyde and Na2SO3. Importantly, the evaporation enthalpy of water in sulfonated PAM cryogel was reduced to 1187 J·g-1 due to the introduction of sulfonate groups into PAM, which was beneficial to increase the photothermal evaporation rate and efficiency. The sulfonated PAM cryogels loaded with polypyrrole and the umbrella-shaped melamine foam substrate were combined to form a photothermal evaporation device, and the evaporation rate was as high as 2.50 kg·m-2·h-1 under one-sun radiation. Meanwhile, the evaporation rate reached 2.09 kg·m-2·h-1 in the 14 wt% high-concentration saline solution, and no salt crystals appeared on the surface of the cryogel after 5 h of photothermal evaporation. Therefore, it was evidenced that the presence of sulfonate groups not only reduced the evaporation enthalpy of water but also prevented salting-out from blocking the water delivery channel during photothermal evaporation, with a sufficiently high evaporation rate, providing a reliable idea of matrix modification for the design of high-efficiency photothermal evaporation materials.

Smart anti-vascular nanoagent induces positive feedback loop for self-augmented tumor accumulation.

How to achieve efficient drug accumulation in the tumor with low vascular density is a great challenge but the key to push the limit of anti-vascular therapeutic efficacy. Herein, we report a charge-reversible nanoparticles of gambogenic acid (CRNP-GNA) that would induce the positive feedback loop between increased tumor vascular permeability and improved drug accumulation. This positive feedback loop would remarkably improve tumor vascular permeability for efficient drug accumulation through few residue vessels. As compared to its charge-irreversible analogue in the latter injections, the accumulation in tumor and vascular permeability and retention indexes (VPRI) in CRNP-GNA group respectively boosted from nearly equal to 8.32 and 60 times, while its tumorous microvessel density decreased from nearly equal to only 7%. The self-augmented accumulation consequently amplified the antitumor efficacy via multiple pathways of anti-angiogenesis, vascular disruption and pro-apoptosis, where 5 out of 6 tumors in animal models were completely cured by CRNP-GNA. This work confirms that the underlying positive feedback loop for anti-vascular therapy could be induced by charge-reversible drug delivery nanosystem to achieve efficient and self-augmented drug accumulation even in the tumor with few vessels. It provides a novel strategy to conquer the dilemma between anti-vascular efficacy and drug accumulation.

Membrane-disruptive homo-polymethacrylate with both hydrophobicity and pH-sensitive protonation for selective cancer therapy.

The membrane-disruptive strategy, which involves host defense peptides and their mimetics, is a revolutionary cancer treatment based on broad-spectrum anticancer activities. However, clinical application is limited by low selectivity towards tumors. In this context, we have established a highly selective anticancer polymer, i.e. poly(ethylene glycol)-poly(2-azepane ethyl methacrylate) (PEG-PAEMA), that can mediate the membrane-disruptive activity via a subtle pH change between physiological pH and tumor acidity for selective cancer treatment. Specifically, the resulting PEG-PAEMA can assemble into neutral nanoparticles and silence the membrane-disruptive activity at physiological pH and disassemble into cationic free-chains or smaller nanoparticles with potent membrane-disruptive activity after the protonation of the PAEMA block due to tumor acidity, resulting in high selectivity towards tumors. Dramatically, PEG-PAEMA exhibited a >200-fold amplification in hemolysis and <5% in IC50 against Hepa1-6, SKOV3 and CT-26 cells at pH 6.7 as compared to those at pH 7.4, thanks to the selective membrane-disruptive mechanism. Moreover, mid- and high-dose PEG-PAEMA demonstrated higher anticancer efficacy than an optimal clinical prescription (bevacizumab plus PD-1) and, significantly, had few side effects on major organs in the tumor-bearing mice model, agreeing with the highly selective membrane-disruptive activity in vivo. Collectively, this work showcases the latent anticancer pharmacological activity of the PAEMA block, and also brings new hope for selective cancer therapy.

A Comprehensive Review on Adsorption, Photocatalytic and Chemical Degradation of Dyes and Nitro-Compounds over Different Kinds of Porous and Composite Materials.

Dye and nitro-compound pollution has become a significant issue worldwide. The adsorption and degradation of dyes and nitro-compounds have recently become important areas of study. Different methods, such as precipitation, flocculation, ultra-filtration, ion exchange, coagulation, and electro-catalytic degradation have been adopted for the adsorption and degradation of these organic pollutants. Apart from these methods, adsorption, photocatalytic degradation, and chemical degradation are considered the most economical and efficient to control water pollution from dyes and nitro-compounds. In this review, different kinds of dyes and nitro-compounds, and their adverse effects on aquatic organisms and human beings, were summarized in depth. This review article covers the comprehensive analysis of the adsorption of dyes over different materials (porous polymer, carbon-based materials, clay-based materials, layer double hydroxides, metal-organic frameworks, and biosorbents). The mechanism and kinetics of dye adsorption were the central parts of this study. The structures of all the materials mentioned above were discussed, along with their main functional groups responsible for dye adsorption. Removal and degradation methods, such as adsorption, photocatalytic degradation, and chemical degradation of dyes and nitro-compounds were also the main aim of this review article, as well as the materials used for such degradation. The mechanisms of photocatalytic and chemical degradation were also explained comprehensively. Different factors responsible for adsorption, photocatalytic degradation, and chemical degradation were also highlighted. Advantages and disadvantages, as well as economic cost, were also discussed briefly. This review will be beneficial for the reader as it covers all aspects of dye adsorption and the degradation of dyes and nitro-compounds. Future aspects and shortcomings were also part of this review article. There are several review articles on all these topics, but such a comprehensive study has not been performed so far in the literature.

Assessment of the dibenzothiophene desulfurization potential of indigenously isolated bacterial consortium IQMJ-5: a different approach to safeguard the environment.

Biodesulfurization is emerging as a valuable technology for the desulfurization of dibenzothiophene (DBT) and its alkylated substitutes, which are otherwise regarded as refractory to other physical and chemical desulfurizing techniques. The inability of the currently identified pure cultures and artificial microbial consortia due to lower desulfurization rate and product inhibition issues has compelled the researcher to look for an alternative solution. Thus, in the present study, an indigenously isolated microbial consortium was employed to tackle the desulfurization issue. Herein, we isolated several kinds of DBT desulfurizing natural microbial consortia from hydrocarbon-contaminated soil samples by conventional enrichment technique. The most effective desulfurizing microbial consortium was sequenced through illumine sequencing technique. Finally, the effect of the products of the desulfurizing pathway (such as 2-hydroxybiphenyl (2-HBP) and sulfate (SO4-2) was evaluated on the growth and desulfurization capability of the isolated consortium. The outcomes of Gibb's assay analysis showed that six isolates followed the "4S" pathway and converted DBT to 2-HBP. Among the isolates, I5 showed maximum growth rate (1.078 g/L dry cell weight) and desulfurization activity (about 77% as indicated by HPLC analysis) and was considered for further in-depth experimentation. The analysis of 16S rRNA by high-throughput sequencing approach of the I5 isolate revealed five types of bacterial phyla including Proteobacteria, Bacteroidetes, Firmicutes, Patescibacteria, and Actinobacteria (in order of abundance). The isolate showed significant tolerance to the inhibitory effect of both 2-HBP and SO4-2 and maintained growth in the presence of even about 1.0 mM initial concentration of both products. This clearly suggests that the isolate can be an efficient candidate for future in-depth desulfurization studies of coal and other fossil fuels.

Facile Synthesis and Fabrication of NIPAM-Based Cryogels for Environmental Remediation.

Herein, polymeric cryogels containing poly(N-isopropylacrylamide) were synthesized by cryo-polymerization at subzero temperature. The synthesized cryogels were loaded with silver and palladium nanoparticles by the chemical reduction method at room temperature using the reducing agent NaBH4. Moreover, for comparison with cryogels, pure poly(N-isopropylacrylamide) hydrogel and its silver hybrid were also prepared by the conventional method at room temperature. The chemical structure and functional group analysis of the pure cryogels was confirmed by Fourier transform infrared spectroscopy. The synthesis of hybrid cryogels was confirmed by the X-ray diffraction technique and energy dispersive X-ray. The pore size and surface morphology of the pure cryogels, their respective hybrid cryogels and of conventional hydrogels were studied by using the scanning electron microscopy technique. The hybrid cryogels were successfully used as a catalyst for the degradation of methyl orange dye. The degradation performance of the hybrid cryogels was much better than its counterpart hybrid hydrogel for methyl orange dye. The effect of temperature and amount of catalyst on catalytic performance was studied by UV-visible spectroscopy. The reduction follows pseudo-first-order reaction kinetics. In addition, the antibacterial activities of these cryogels were evaluated against Gram-positive bacteria (Staphylococcus aureus, ATCC: 2593) and Gram-negative bacteria (Escherichia coli, ATCC: 25922). Both hybrid cryogels have shown much better antibacterial activity for these two strains of bacteria compared to pure cryogels. The results indicate that these cryogels are potential candidates for water purification systems as well as biomedical applications.

Vaccinomics to design a multi-epitope-based vaccine against monkeypox virus using surface-associated proteins.

In 2022, the ongoing multi-country outbreak of monkeypox virus-now occurring outside Africa, too is a global health concern. Monkeypox is a zoonotic virus, which causes disease mainly in animals, and then it is transferred to humans. Recently, in the monkeypox epidemic, a large number of human cases emerged while the global health community worked to tackle the outbreak and save lives. Herein, a multi-epitope-based vaccine is designed against monkeypox virus using two surface-associated proteins: MPXVgp002 accession number > YP_010377003.1 and MPXVgp008 accession number > YP_010377007.1 proteins. These proteins were utilized for B- and T-cell epitopes prediction. The epitopes were further screened, and the screen filtered KCKDNEYRSR, RSCNTTHNR, and RTRRETGAS with the antigenicity scores of 0.5279, 0.5604, and 0.7628, respectively. Overall, the epitopes can induce immunity in 99.74% population of the world. Further, GPGPG linkers were used for joining the epitopes and EAAAK linker was used for adjuvant attachment. It has a three-dimensional structure modelled for retaining the structural stability. Three pairs of amino acid residues that were able to make disulfide bonds were chosen: Gly1-Ser82, Cys7-Tyr10, and Phe51-Ile55. Molecular docking of vaccine was done with toll-like receptors, viz., 2, 3, 4, and 8 immune cell receptors. The docking results revealed that the vaccine as potential molecule due to its better binding affinity with toll-like receptors 2, 3, 4 and 8. Top complex in docking in with each receptor was selected based on lowest energy scores- -888.7 kcal/mol (TLR-2), -976.3 kcal/mol (TLR-3), -801.9 kcal/mol (TLR-4), and -955.4 kcal/mol (TLR-4)-were subjected to simulation. The docked complexes were evaluated in 500 ns of MD simulation. Throughout the simulation time, no significant deviation occurred. This confirmed that the vaccine as potential vaccine candidate to interact with immune cell receptors. This interaction is important for the immune system activation. In conclusion, the proposed vaccine construct against monkeypox could induce an effective immune response and speed up the vaccine development process. However, the study is completely based on the computational approach, hence, the experimental validation is required.Communicated by Ramaswamy H. Sarma.

An insight into recent developments of copper, silver and gold carbon dots: cancer diagnostics and treatment.

Cancer is one of the most fatal diseases globally, however, advancement in the field of nanoscience specifically novel nanomaterials with nano-targeting of cancer cell lines has revolutionized cancer diagnosis and therapy and has thus attracted the attention of researchers of related fields. Carbon Dots (CDs)-C-based nanomaterials-have emerged as highly favorable candidates for simultaneous bioimaging and therapy during cancer nano-theranostics due to their exclusive innate FL and theranostic characteristics exhibited in different preclinical results. Recently, different transition metal-doped CDs have enhanced the effectiveness of CDs manifold in biomedical applications with minimum toxicity. The use of group-11 (Cu, Ag and Au) with CDs in this direction have recently gained the attention of researchers because of their encouraging results. This review summarizes the current developments of group-11 (Cu, Ag and Au) CDs for early diagnosis and therapy of cancer including their nanocomposites, nanohybrids and heterostructures etc. All The manuscript highlights imaging applications (FL, photoacoustic, MRI etc.) and therapeutic applications (phototherapy, photodynamic, multimodal etc.) of Cu-, Ag- and Au-doped CDs reported as nanotheranostic agents for cancer treatment. Sources of CDs and metals alogwith applications to give a comparative analysis have been given in the tabulated form at the end of manuscript. Further, future prospects and challenges have also been discussed.

Virtual Screening of Artemisia annua Phytochemicals as Potential Inhibitors of SARS-CoV-2 Main Protease Enzyme.

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a human coronaviruses that emerged in China at Wuhan city, Hubei province during December 2019. Subsequently, SARS-CoV-2 has spread worldwide and caused millions of deaths around the globe. Several compounds and vaccines have been proposed to tackle this crisis. Novel recommended in silico approaches have been commonly used to screen for specific SARS-CoV-2 inhibitors of different types. Herein, the phytochemicals of Pakistani medicinal plants (especially Artemisia annua) were virtually screened to identify potential inhibitors of the SARS-CoV-2 main protease enzyme. The X-ray crystal structure of the main protease of SARS-CoV-2 with an N3 inhibitor was obtained from the protein data bank while A. annua phytochemicals were retrieved from different drug databases. The docking technique was carried out to assess the binding efficacy of the retrieved phytochemicals; the docking results revealed that several phytochemicals have potential to inhibit the SARS-CoV-2 main protease enzyme. Among the total docked compounds, the top-10 docked complexes were considered for further study and evaluated for their physiochemical and pharmacokinetic properties. The top-3 docked complexes with the best binding energies were as follows: the top-1 docked complex with a -7 kcal/mol binding energy score, the top-2 docked complex with a -6.9 kcal/mol binding energy score, and the top-3 docked complex with a -6.8 kcal/mol binding energy score. These complexes were subjected to a molecular dynamic simulation analysis for further validation to check the dynamic behavior of the selected top-complexes. During the whole simulation time, no major changes were observed in the docked complexes, which indicated complex stability. Additionally, the free binding energies for the selected docked complexes were also estimated via the MM-GB/PBSA approach, and the results revealed that the total delta energies of MMGBSA were -24.23 kcal/mol, -26.38 kcal/mol, and -25 kcal/mol for top-1, top-2, and top-3, respectively. MMPBSA calculated the delta total energy as -17.23 kcal/mol (top-1 complex), -24.75 kcal/mol (top-2 complex), and -24.86 kcal/mol (top-3 complex). This study explored in silico screened phytochemicals against the main protease of the SARS-CoV-2 virus; however, the findings require an experimentally based study to further validate the obtained results.

Electrochemical Sensor for Detection and Degradation Studies of Ethyl Violet Dye.

In this work, a simple and sensitive electrochemical method was developed to determine ethyl violet (EV) dye in aqueous systems by using square wave anodic stripping voltammetry (SWASV) employing a glassy carbon electrode modified with acidic-functionalized carbon nanotubes (COOH-fCNTs). In square wave anodic stripping voltammetry, EV exhibited a well-defined oxidation peak at 0.86 V at the modified GCE. Impedance spectroscopy and cyclic voltammetry were used to examine the charge transduction and sensing capabilities of the modified electrode. The influence of pH, deposition potential, and accumulation time on the electro-oxidation of EV was optimized. Under the optimum experimental conditions, the limit of detection with a value of 0.36 nM demonstrates high sensitivity of COOH-fCNTs/GCE for EV. After detection, it was envisioned to devise a method for the efficient removal of EV from an aqueous system. In this regard a photocatalytic degradation method of EV using Ho/TiO2 nanoparticles was developed. The Ho/TiO2 nanoparticles synthesized by the sol-gel method were characterized by UV-vis, XRD, FTIR, SEM, and EDX. The photocatalytic degradation studies revealed that basic medium is more suitable for a higher degradation rate of EV than acidic and neutral media. The photodegradation kinetic parameters were evaluated using UV-vis spectroscopic and electrochemical methods. The results revealed that the degradation process of EV follows first-order kinetics.