LaCoO3/SBA-15 as a high surface area catalyst to activate peroxymonosulfate for degrading atrazine in water.

An efficient perovskite-based heterogeneous catalyst is highly desired to activate peroxymonosulfate (PMS) for removing organic pollutants in water. A high surface area PMS-activator was fabricated by loading LaCoO3 on SBA-15 to degrade atrazine (ATR) in water. The LaCoO3/SBA-15 depicted better textural properties and higher catalytic activity than LaCoO3. In 6.0 min, atrazine (ATZ) degradation in the selected LaCoO3/SBA-15/PMS system, LaCoO3, adsorption by LaCoO3/SBA-15, sole PMS processes reached approximately 100%, 55.15%, 12.80%, and 16.65 % respectively. Furthermore, 0.04 mg L-1 Co was leached from LaCoO3/SBA-15 during PMS activation by LaCoO3/SBA-15. The LaCoO3/SBA-15 showed stable catalytic activity after reuse. The use of radical scavengers and electron paramagnetic resonance spectroscopy (EPR) demonstrated that ROS such as 1O2, O2•-, •OH, and SO4•- were generated by PMS activated by LaCoO3/SBA-15 owing to redox reactions [Co2+/Co3+, and O2-/O2]. EPR, XPS, ATR-FTIR, EIS, LSV, and chronoamperometric measurements were used to explain the catalytic mechanism for PMS activation. Excellent atrazine degradation was due to high surface area, porous nature, diffusion-friendly structure, and ROS. Our investigation proposes that perovskites with different A and B metals and modified perovskites can be loaded on high surface area materials to activate PMS into ROS.

Fabrication of a sustainable superhydrophobic surface of Ag-NPs@SA on copper alloy for corrosion resistance, photocatalysis, and simulated distribution of Ag atoms.

Artificial superhydrophobic surfaces that do not absorb water, like the lotus leaf, show tremendous promise in numerous applications. However, superhydrophobic surfaces are rarely used because of their low stability and endurance. A stable organic superhydrophobic surface (SHS) composed of novel morphology Ag-nanoparticles (NPs) has been fabricated on a copper alloy via etching, immersion, spraying, and annealing treatment, along with a static water contact angle (WCA) of 158 ± 1° and sliding angle (SA) less than 2°. The surface texture, composition, and morphology of the substrate surfaces were explored by using X-ray diffraction, X-ray photoelectron spectroscopy, scanning electron microscopy, energy dispersive spectroscopy, and DFT-based Ag atom distribution. The anti-corrosion study of non-coated and Ag-NP-coated copper alloy was undertaken using electrochemical impedance spectroscopy. Ag-NPs +SA@SHS enhanced the corrosion resistance as compared with bare Cu alloy. The water droplet rolled down the coated Cu alloy, removed the chalk powder from the surface, and indicated an excellent self-cleaning function. Photodegradation of Congo red (CR) and methylene blue (MB) dye samples was assessed by measuring the absorbance through UV-Visible spectrophotometry, where the Ag-NPs coated on the copper alloy were used as a catalyst. The performance of the SHS@Ag-NPs in the aqueous solution was 99.31% and 98.12% for industrial pollutants (CR and MB), with degradation rates of 5.81 × 10-2 s-1 and 5.89 × 10-2 s-1, respectively. These findings demonstrated a simple, rapid, and low-energy fabrication technique for SHS@Ag-NPs. This research reveals a valuable approach for the fabrication of SHS@Ag-NPs on various substrates to extend the superhydrophobic surfaces with ultra-fast self-healing properties, for outdoor applications such as anti-corrosion, for an innovative approach for the remediation of polluted water treatment, and for industrial applications.

Investigation of ultra wide bandgap Flouro-perovskite materials RBeF3 (R[bond, double bond]K and Li) for smart window applications: A DFT study.

The human body is affected by ultraviolet radiation because it can penetrate and harm bodily cells. Although skin cancer and early aging are consequences of prolonged exposure to ultraviolet (UV) rays, sun rays signify immediate excessive exposure. In this context, some structural, optical, electrical, and mechanical properties of the beryllium-based cubic fluoro-perovskite RBeF3 (R[bond, double bond]K and Li) compounds are examined through the use of density functional theory (DFT) within generalized gradient approximation (GGA) using the Perdew-Burke-Ernzerhof (PBE) approximations (GGA-PBE). The compounds KBeF3 and LiBeF3 have space group 221-pm3m, and their lattice constants and volumes are (3.765, 3.566) Å and (53.380, 45.379) Å3, respectively, based on their structural properties. Computed results indicate that the compounds' bandgaps are 7.35 eV and 7.12 eV, respectively, with an indirect nature for KBeF3 and LiBeF3. The properties of the band structure indicate that both compounds are insulators. The bonding properties of these compounds, RBeF3, are a combination of covalent and ionic. Optical properties of the compounds are examined which reflect the light-matter interaction like reflectivity, conductivity, and absorption. These materials were likely very hard but brittle, based on a higher bulk modulus B from elastic features, the B/G ratio, Pugh's ratio, and Vickers hardness. The compound RBeF3, as determined by the findings, is used as a UV protection and reflection layer for car and room windows.

Synthesis and Analysis of Euphorbia cognata Boiss-Assisted Organic-Inorganic Complex: Photosynthesis and Stabilization of CoO Nanoparticles.

Synthesis of metal oxide nanomaterials using phytochemicals has now been regarded as mutually exclusive to chemical synthesis techniques. Here, we have extracted, isolated, and characterized the phytochemicals of Euphorbia cognata Boiss leaf hydro-organic extract and utilized them as biofuel in the preparation of metal oxide nanoparticles (CoO NPs). To evaluate the chemical composition of bio templates, chromatographic techniques like high-performance liquid chromatography (HPLC) and gas chromatography-mass spectroscopy (GC-MS) were being utilized. The reducing properties of the organic fuel were investigated by efficiently synthesizing CoO NPs by treating aqueous plant extract with an aqueous complex of Co(NO3)·6H2O. X-ray diffraction (XRD) was utilized for identification of newly prepared NPs, and composition of elements was inveterate via energy dispersive X-ray spectroscopy (EDX). The spherical-shaped morphology was noticed via field emission-scanning electron microscopy (FE-SEM), and the biocomponents of synthesized metal oxide were identified by GC-MS which has confirmed the active presence of monopolized octodrine, decanoic acid, cathinone, and acetic acid in the synthesized metal oxides NPs. Overall, the present study has demonstrated well the significant potential of E. cognata phytocompounds as fuel in the synthesis of nanomaterial.

Genome-wide analysis of NPR1-like genes in citrus species and expression analysis in response to citrus canker (Xanthomonas axonopodis pv. citri).

Citrus fruits, revered for their nutritional value, face significant threats from diseases like citrus canker, particularly impacting global citrus cultivation, notably in Pakistan. This study delves into the critical role of NPR1-like genes, the true receptors for salicylic acid (SA), in the defense mechanisms of citrus against Xanthomonas axonopodis pv. citri (Xcc). By conducting a comprehensive genome-wide analysis and phylogenetic study, the evolutionary dynamics of Citrus limon genes across diverse citrus cultivars are elucidated. Structural predictions unveil conserved domains, such as the BTB domain and ankyrin repeat domains, crucial for the defense mechanism. Motif analysis reveals essential conserved patterns, while cis-regulatory elements indicate their involvement in transcription, growth, response to phytohormones, and stress. The predominantly cytoplasmic and nuclear localization of NPR1-like genes underscores their pivotal role in conferring resistance to various citrus species. Analysis of the Ks/Ka ratio indicates a purifying selection of NPR1-like genes, emphasizing their importance in different species. Synteny and chromosomal mapping provide insights into duplication events and orthologous links among citrus species. Notably, Xac infection stimulates the expression of NPR1-like genes, revealing their responsiveness to pathogenic challenges. Interestingly, qRT-PCR profiling post-Xac infection reveals cultivar-specific alterations in expression within susceptible and resistant citrus varieties. Beyond genetic factors, physiological parameters like peroxidase, total soluble protein, and secondary metabolites respond to SA-dependent PR genes, influencing plant characteristics. Examining the impact of defense genes (NPR1) and plant characteristics on disease resistance in citrus, this study marks the inaugural investigation into the correlation between NPR1-associated genes and various plant traits in both susceptible and resistant citrus varieties to citrus bacterial canker.

Mycoremediation of the novel fungicide ametoctradin by different agricultural soils and accelerated degradation utilizing selected fungal strains.

Accelerating safety assessments for novel agrochemicals is imperative, advocating for in vitro setups to present pesticide biodegradation by soil microbiota before field studies. This approach enables metabolic profile generation in a controlled laboratory environment eliminating extrinsic factors. In the current study, ten different soil samples were utilized to check their capability to degrade Ametoctradin by their microbiota. Furthermore, five different fungal strains (Aspergillus niger, Aspergillus flavus, Aspergillus fumigatus, Lasiodiplodia theobromae, and Penicillium chrysogenum) were utilized to degrade Ametoctradin in aqueous media. A degradation pathway was established using the metabolic patterns created during the biodegradation of Ametoctradin. In contrast to 47% degradation (T1/2 of 34 days) when Ametoctradin was left in the soil samples, the fungal strain Aspergillus fumigatus demonstrated 71% degradation of parent Ametoctradin with a half-life (T1/2) of 16 days. In conclusion, soil rich in microorganisms effectively cleans Ametoctradin-contaminated areas while Fungi have also been shown to be an effective, affordable, and promising way to remove Ametoctradin from the environment.

Emerging Developments in Separation Techniques and Analysis of Chiral Pharmaceuticals.

Chiral separation, the process of isolating enantiomers from a racemic mixture, holds paramount importance in diverse scientific disciplines. Using chiral separation methods like chromatography and electrophoresis, enantiomers can be isolated and characterized. This study emphasizes the significance of chiral separation in drug development, quality control, environmental analysis, and chemical synthesis, facilitating improved therapeutic outcomes, regulatory compliance, and enhanced industrial processes. Capillary electrophoresis (CE) has emerged as a powerful technique for the analysis of chiral drugs. This review also highlights the significance of CE in chiral drug analysis, emphasizing its high separation efficiency, rapid analysis times, and compatibility with other detection techniques. High-performance liquid chromatography (HPLC) has become a vital technique for chiral drugs analysis. Through the utilization of a chiral stationary phase, HPLC separates enantiomers based on their differential interactions, allowing for the quantification of individual enantiomeric concentrations. This study also emphasizes the significance of HPLC in chiral drug analysis, highlighting its excellent resolution, sensitivity, and applicability. The resolution and enantiomeric analysis of nonsteroidal anti-inflammatory drugs (NSAIDs) hold great importance due to their chiral nature and potential variations in pharmacological effects. Several studies have emphasized the significance of resolving and analyzing the enantiomers of NSAIDs. Enantiomeric analysis provides critical insights into the pharmacokinetics, pharmacodynamics, and potential interactions of NSAIDs, aiding in drug design, optimization, and personalized medicine for improved therapeutic outcomes and patient safety. Microfluidics systems have revolutionized chiral separation, offering miniaturization, precise fluid control, and high throughput. Integration of microscale channels and techniques provides a promising platform for on-chip chiral analysis in pharmaceuticals and analytical chemistry. Their applications in techniques such as high-performance liquid chromatography (HPLC) and capillary electrochromatography (CEC) offer improved resolution and faster analysis times, making them valuable tools for enantiomeric analysis in pharmaceutical, environmental, and biomedical research.

Construction of type-II scheme SnO@HfC photocatalyst for bisphenol A degradation via peroxymonosulfate activation; DFT and self-cleaning analysis.

In this study, novel stannous oxide@hafnium carbide (SnO@HfC) nanocomposite was successfully manufactured by an appropriate hydrothermal scheme which was utilized for the photocatalytic degradation of BPA by stimulation of peroxymonosulfate (PMS) and self-cleaning application. Numerous methods were applied for the characterization of photocatalyst and demonstrated the successful preparation of SnO@HfC nanocomposite. The crystal structures, band structures and density of states for SnO and HfC were explored by DFT analysis. The amazing PMS stimulation performance of SnO@HfC nanocomposite originated from the establishment of a heterojunction, which led to the enhancement of the light response aptitude and the electron conduction competence of the composite. BPA was degraded by 0.75 g/L PMS and SnO@HfC at neutral pH during the period of 60 min. In order to identify active groups in the reaction procedure, quenching experiments and electron paramagnetic resonance (EPR) approaches were also used. In the subsequent active species scavenging assays, where sulfate radicals, hydroxyl radicals, holes, and superoxide radicals were engaged in the degradation of BPA. While, liquid phase mass spectrometry (LC-MS) was used to pinpoint the intermediate metabolites in the course of degradation. SnO@HfC/PMS/light system delivered excellent TOC removal efficiency and less ions leaching. The SnO@HfC nanocomposite proved good durability and reusability in continuous cycle tests along with excellent self-cleaning function on the glass substrate. The SnO@HfC nanocomposite performs admirably in terms of self-cleaning application. The SnO@HfC nanocomposite is expected to be used in the future for the treatment of wastewater that contains pharmaceuticals due to its superior stability and reusability after five consecutive cycles.

Flavonoids: a review on biosynthesis and transportation mechanism in plants.

In recent years, significant progress has been made in understanding the biosynthetic pathway and regulation of flavonoids through forward genetic approaches. However, there remains a notable gap in knowledge regarding the functional characterization and underlying processes of the transport framework responsible for flavonoid transport. This aspect requires further investigation and clarification to achieve a comprehensive understanding. Presently, there are a total of four proposed transport models associated with flavonoids, namely glutathione S-transferase (GST), multidrug and toxic compound extrusion (MATE), multidrug resistance-associated protein (MRPs), and bilitranslocase-homolog (BTL). Extensive research has been conducted on the proteins and genes related to these transport models. However, despite these efforts, numerous challenges still exist, leaving much to be explored in the future. Gaining a deeper understanding of the mechanisms underlying these transport models holds immense potential for various fields such as metabolic engineering, biotechnological approaches, plant protection, and human health. Therefore, this review aims to provide a comprehensive overview of recent advancements in the understanding of flavonoid transport mechanisms. By doing so, we aim to paint a clear and coherent picture of the dynamic trafficking of flavonoids.

Peroxymonosulfate-based photocatalytic oxidation of tetracycline by Fe2(MoO4)3/Cd0.5Ni0.5S heterostructure; DFT simulation.

The current research is meant to develop novel semiconductor photocatalysts, for the decomposition of tetracycline (TC) as a model organic contaminant in the aquatic environment. The fabrication of Fe2(MoO4)3/Cd0.5Ni0.5S (FMO/CNS) composite has proven to be an effective method for improving the sustainability and photocatalytic activity of Cd0.5Ni0.5S (CNS). Under visible light irradiation, FMO/CNS nanocomposite demonstrated significant PMS activation which led to 1.36 and 1.81 times TC removal efficiency as compared to immaculate Fe2(MoO4)3(FMO) and CNS. FMO/CNS composite potentially promotes the segregation of electron-hole pairs (e--h+) and exemplifies amazing photocatalytic performance for TC degradation. Its significant photocatalytic activity is due to its unique structure, which includes tiny pores on the surface that confine the PMS molecule to the interface. The FMO/CNS composite has significantly greater piezocatalytic activity than pure FMO and CNS, demonstrating the synergistic effect of FMO and CNS. In the degradation of TC, holes and key reactive radicals (•O2-/•OH/SO4-•) played a major role. Computational studies (DFT) estimates, including the determination of intermediates, confirmed that the hydroxyl addition and C-N cleavage pathways were responsible for TC degradation. As a result, this work delivers a new approach to developing novel photocatalysts with high photocatalytic activity for the abatement of organic contaminants in water.

Hybridization of long short-term memory with Sparrow Search Optimization model for water quality index prediction.

Water quality (WQ) analysis is a critical stage in water resource management and should be handled immediately in order to control pollutants that could have a negative influence on the ecosystem. The dramatic increase in population, the use of fertilizers and pesticides, and the industrial revolution have resulted in severe effects on the WQ environment. As a result, the prediction of WQ greatly helped to monitor water pollution. Accurate prediction of WQ is the foundation of managing water environments and is of high importance for protecting water environment. WQ data presents in the form of multi-variate time-sequence dataset. It is clear that the accuracy of predicting WQ will be enhanced when the multi-variate relation and time sequence dataset of WQ are fully utilized. This article presents the Water Quality Prediction utilising Sparrow Search Optimization with Hybrid Long Short-Term Memory (WQP-SSHLSTM) model. The presented WQP-SSHLSTM model intends to examine the data and classify WQ into distinct classes. To achieve this, the presented WQP-SSHLSTM model undergoes data scaling process to scale the input data into uniform format. Followed by, a hybrid long short-term memory-deep belief network (LSTM-DBN) technique is employed for the recognition and classification of WQ. Moreover, Sparrow search optimization algorithm (SSOA) is utilized as a hyperparameter optimizer of the proposed DBN-LSTM model. For demonstrating the enhanced outcomes of the presented WQP-SSHLSTM model, a sequence of experiments has been performed and the outcomes are reviewed under distinct prospects. The WQP-SSHLSTM model has achieved 99.84 percent accuracy, which is the maximum attainable. The simulation outcomes ensured the enhanced outcomes of the WQP-SSHLSTM model on recent methods.

Synthesis of Functionalized N-(4-Bromophenyl)furan-2-carboxamides via Suzuki-Miyaura Cross-Coupling: Anti-Bacterial Activities against Clinically Isolated Drug Resistant A. baumannii, K. pneumoniae, E. cloacae and MRSA and Its Validation via a Computational Approach.

N-(4-bromophenyl)furan-2-carboxamide (3) was synthesized by the reaction furan-2-carbonyl chloride (1) and 4-bromoaniline (2) in the presence of Et3N in excellent yields of 94%. The carboxamide (3) was arylated by employing triphenylphosphine palladium as a catalyst and K3PO4 as a base to afford N-(4-bromophenyl)furan-2-carboxamide analogues (5a-i) in moderate to good yields (43-83%). Furthermore, we investigated the in vitro anti-bacterial activities of the respective compounds against clinically isolated drug-resistant bacteria A. baumannii, K. pneumoniae, E. cloacae and S. aureus. The molecule (3) was found to be the most effective activity against these bacteria, particularly NDM-positive bacteria A. baumannii as compared to various commercially available drugs. Docking studies and MD simulations further validated it, expressing the active site and molecular interaction stability.

Characterization of a newly isolated self-flocculating microalga Bracteacoccus pseudominor BERC09 and its evaluation as a candidate for a multiproduct algal biorefinery.

Microalgae have the highest capability to fix the atmospheric carbon and wastewater-derived nutrients to produce high-value bioproducts including lipids and carotenoids. However, their lower titers and single-product-oriented biomass processing have made the overall process expensive. Hence, increased metabolite titer and processing of the biomass for more than one product are required to ensure the commercial robustness of the algal biorefinery. In this study, a newly isolated algal strain was identified as Bracteacoccus pseudominor BERC09 through phylogenetic analysis based on the 18S rRNA gene sequence. Basic characterization of the strain revealed its promising potential to produce carotenoids and lipids. The lipids and carotenoid biosynthesis pathways of BERC09 were further triggered by manipulating the abiotic factors including nitrogen sources (NaNO3, KNO3, NH4Cl, Urea), nitrogen concentrations (0.06-0.36 gL-1), light intensity (150 µmolm-2s-1 to 300 µmolm-2s-1), and light quality (white and blue). Resultantly, 300 µmolm-2s-1 of blue light yielded 0.768 gL-1 of biomass, 8.4 mgg-1 of carotenoids, and 390 mgg-1 of lipids, and supplementation of 0.36 gL-1 of KNO3 further improved metabolism and yielded 0.814 gL-1 of biomass, 11.86 mgg-1 of carotenoids, and 424 mgg-1 of lipids. Overall, the optimal combination of light and nitrogen concurrently improved biomass, carotenoids, and lipids by 3.5-fold, 6-fold, and 4-fold than control, respectively. Besides, the excellent glycoproteins-based self-flocculation ability of the strain rendered an easier harvesting via gravity sedimentation. Hence, this biomass can be processed in a cascading fashion to use this strain as a candidate for a multiproduct biorefinery to achieve commercial robustness and environmental sustainability.