Chemical Methods Research Articles

Large Optical Nonlinearity Enhancement and All‐Optical Logic Gate Implementation in Silver‐Modified Violet Phosphorus

AbstractAs the most stable allotrope of phosphorus, violet phosphorus (VP) has attracted extensive research in the field of all‐optical modulation due to its excellent broadband spatial self‐phase modulation (SSPM) effect. To better exploit the great potential of VP in nonlinear photonics devices, this work explores chemical doping method to artificially enhance the nonlinear optical response of VP. Herein, silver‐modified few‐layer VP (Ag‐VP) is constructed for SSPM experiments. In comparison to pristine VP, a significantly improved third‐order nonlinear susceptibility (χ(3)) and nonlinear optical response for Ag‐VP is obtained in visible light band, and the enhancement ratio increases with the increase of wavelength. Moreover, the excitation threshold of SSPM effect is also significantly reduced, with a reduction ratio up to 3.61. The enhanced nonlinear optical response is attributed to the improved light–matter interaction induced by impurity energy levels. By taking advantage of the outstanding SSPM effect of Ag‐VP, an all‐optical logic gate is designed to demonstrate “OR” logical information transmission. This work provides a new avenue for the design and application of energy‐saving and tunable nonlinear photonic devices in the future.

Potential biological applications of environment friendly synthesized iron oxide nanoparticles using Sageretia thea root extract.

The green synthesis of Iron oxide nanoparticles (IONPs) has shown numerous advantages over conventional physical and chemical synthesis methods as these methods non-ecofriendly and uses toxic chemicals and complicated equipments. In present study, Iron oxide nanoparticles (IONPs) were created using simple, sustainable, eco-friendly and green chemistry protocol. The roots of novel medicinal plant Sageretia thea was used as a bio-template for the preparation of IONPs. Further, the synthesis of IONPs was confirmed using different analytical tools like UV-Vis, FT-IR, XRD, EDX, and SEM. The average sizes of (NPs) were found to be 16.04nm. Further, asynthesized IONPs were evaluated for several biological potentials including antibacterial, antifungal Anti-radical potentials (DPPH) and cytotoxicity assays. Antibacterial potencies were investigated using bacterial strains (in the concentration range of 1000-31.25µg/mL) revealing significant antibacterial potentials. ABA and SAU was reported to be least susceptible while KPN was observed to be most susceptible strain in bactericidal studies. Further, different fungal strains were used to investigate the antifungal potentials of IONPs (in the concentration range of 1000-31.25µg/mL) and revealed strong antifungal potencies against different pathogenic strains. Furthermore, MRA, FA and ANI were most susceptible and ABA was least susceptible in fungicidal examination. Significant cytotoxicity potential was examined using brine shrimps cytotoxicity assay, thus revealing the cytotoxic potential of asynthesized IONPs. The IC50 for S. thea based IONPs was recorded as 33.85µg/mL. Strong anti-radical potentials (DPPH) assay was performed to evaluate the ROS scavenging potential of S.T@IONPs. The highest scavenging potential was noted as 78.06%, TRP as 81.92% and TAC as 84% on maximum concentration of 200µg/mL. In summary, our experimental results concluded, that asynthesized IONPs have strong antibacterial, antifungal, DPPH scavenging and cytotoxic potentials and can be used in different biological applications. In nutshell, our as-prepared nanoparticles have shown potential bioactivities and we recommend, different other in vitro and in vivo biological and bioactivities to further analyze the biological potentials.

A chewing gum containing ethylenediaminetetraaceticacid (EDTA), methyl sulfonyl methane (MSM) and xylitol works comparable to chlorehexidine mouthrinse.

Dental plaque provides a proper environment for the growth and activity of bacteria responsible for periodontal diseases and caries. As a result, it should be removed by individuals to prevent periodontal diseases and caries. There are different mechanical and chemical plaque control methods. In one study is shown that dental plaque removal efficacy of dentifrice containing Ethylenediaminetetraaceticacid(EDTA)/Methylsulfonylmethane(MSM) was nearly five times that of commercially available fluoride toothpaste. In another study, authors found that xylitol-containing chewing gums caused a marked reduction in the count of Streptococcus Mutans compared to conventional ones. This difference was highly prominent in individuals with poor oral hygiene. In this study we assessed the synergic effects of Xylitol, EDTA and MSM in a chewing gum in comparison with chlorhexidine mouthwash. This study was a crossover, randomized clinical trial. Twenty-four patients were divided in two groups randomly. At the baseline scaling and root planing was done for each patient. Group1 used chlorhexidine mouthwash twice a day. Group2 used novel chewing gum for 15min twice a day. After 14 days, for every patient O'leary plaque index, gingival index and sulcus bleeding index were reevaluated and recorded. Professional brushing was done for patients. 14 days were considered as wash-out period. After that, method of plaque control of groups was changed. After 14 days, all patients were reevaluated and recorded and were compared with previous data. Samples in 2 groups had no significant difference in age and sex. Paired sample t test revealed that there were significant differences between first and second period for O'leary plaque index, gingival index and sulcus bleeding index in Group1 (P < 0.05). But in Group2 there were no differences between first and second period for all indexes. Also independent sample t test showed that there were no significant differences between baseline, after first treatment and after second one for all indexes in both groups (P > 0.05). According to regression model results, type of treatment had no effect on mean of all indexes. According to our findings which showed the similar efficiency of novel chewing gum and chlorhexidine mouthwash in improving and reducing plaque and gingival indexes, we can conclude that novel chewing gum can be introduced as an effective, cheap and accessible tool for dental plaque control.

Characterization of glomalin proteins in soil: A potential indicator of erosion intensity

Abstract In this study, in a pioneering effort, glomalin proteins were extracted and geochemically characterized from soil in Serbia. Standard chemical (dry combustion, Walkley-Black) and spectroscopic methods (fourier transform infrared spectroscopy (FTIR), dynamic light scattering (DLS), scanning electron microscope (SEM)) were used to gain insight into the glomalin proteins. Samples from the City of Novi Sad (Serbia) were used for characterization and comparison. The soil contained an average of 17 mg/g of glomalin, representing ≈21% of the soil organic matter. DLS zeta potential analysis and the FTIR spectra reveal two significant differences before and after glomalin extraction, indicating a relationship between sand fractions and organic matter that affects particle aggregation and erosion potential. A comparison of SEM images and DLS results reveals that the glomalin extract consists of two particle size groups (0.08–1 and 6 µm), suggesting that the extraction process isolates only a smaller fraction of proteins and less tightly bound particles, indicating that soil aggregation is influenced by both mineralogy and the characteristics of organic matter. Hence, our research raises important questions about the role of glomalin in mitigating soil degradation processes, particularly soil erosion. Our study will enhance the overall understanding of glomalin, inspire future research, and prove beneficial for the sustainable restoration of degraded lands.

Overview of Food Adulteration: Its Definition, Causes, Impacts, and Detection

A tampered food, Food is any substance made up of carbohydrates, water, fats, and proteins that is consumed by humans and other animals to survive. It holds great significance for us. Nonetheless, it is not uncommon for food products to be tampered with, and dangerous situations can arise from poorly managed supply chains that handle perishable goods. Economic Customers who purchase and serve food are impacted in numerous ways; they might not receive the nutrients they are supposed to, contaminated food may be harmful to their health, and they might also suffer financial losses. So, every responsible individual, organization, and government should complete their role to protect the act of food adulteration and to reveal the recognized acts. Furthermore, there are numerous gaps in the literature that need to be filled by academics and researchers working in various research institutes. These gaps include the assessment of the situation, the identification of foods that are vulnerable to adulteration in the national context, the development and validation of detection methods, and much more. adulteration has long plagued the food business, negatively impacting both food quality and public health. The process of altering food by adding undesirable or dangerous components lowers its safety and quality, a practice known as food adulteration. Inadequate handling of this issue has led to the production of contaminated and dangerous food products, which has raised concerns throughout history. Food adulteration can harm our health and often does so without our knowledge. By addressing these issues, we may proactively work to create a better society. Food adulteration can involve adding, taking away, or replacing expensive food ingredients with less expensive (cheaper) ones in order to get unfair financial advantage. The manufacturer may profit financially from this act of food fraud, but the eventual consumers of the goods suffer losses. A variety of approaches, such as physical, chemical, biological, and other methods, are used to detect food adulteration. However, detecting adulterants can be hard when the adulterants closely mirror the food’s physiochemical properties. The right of consumers to safe and high-quality food is undermined by adulteration, hence it is imperative that people, groups, and governments take action to stop these practices.

Bio-inspired one-pot synthesis of luminescent silver nanoparticles and its significant utility as a fluorescence nano sensor for analysis of two adjunctive COVID-19 drugs.

This study reveals one-step green synthesis of plant inspired silver nanoparticles (Ag-NPs). The synthesis procedure relies on the bio-reduction of Ag+ to Ag0 using orange waste (orange peel) extract as cheap, readily available, sustainable, biocompatible feedstocks as a reducing and stabilizing agent. The prepared Ag-NPs passed through a full characterization procedure for better confirmation and elucidation of optical and structural properties. The fluorescence of the prepared Ag-NPs has a quantum yield of 17.15% enabling its potential use in chemical sensing of drugs. Ag-NPs are conceived to be used as a fluorescent nano sensor for sensitive, ecofriendly, rapid spectrofluorimetric determination of two recent direct oral anticoagulants, namely, rivaroxaban (RIV) and edoxaban tosylate monohydrate (EDT); COVID-19 adjunctive drugs in their raw materials and pharmaceutical tablets. The fluorescence of the prepared Ag-NPs at 333nm was found to be substantially quenched in existence of increasing concentrations of each drug. The quenching mechanisms were studied and explained. The validation of the method revealed linear correlation over the ranges of 0.5-10µg/ml with an excellent regression correlation (r=0.9999) for both drugs with minimum detection limits of 0.14 and 0.16µg/ml for rivaroxaban and edoxaban tosylate monohydrate, correspondingly. Three different metrics were employed for verifying the greenness profile of the presented study. The findings of the greenness assessment were congruent and compatible with the green synthesis procedure, ecofriendly analysis, and the exclusion of using organic solvents and noxious materials opening an avenue for green synthesis of nanoparticles instead of chemical and physical methods.

The bioactive constituents from the fruits of Elaeagnus angustifolia L.

Multiple spectroscopic, chromatographic, and chemical reaction methods were combined to investigate the chemical components in the fruits of Elaeagnus angustifolia L. As results, thirty-two compounds were obtained from it as natural products. Six of them, elangphenosides A (1), B (2), C (3) and D (4), elangmegastigmanoside A (5), and elangorganic acid A1 (6) were retrieved by Scifinder as previously undescribed ones. Additionally, a previously undescribed artificial product, elangorganic acid A2, as well as a known artificial one, (3R) 5-ethoxy-3-(ethoxycarbonyl)-3-hydroxy-5-oxopentanoic acid, were yielded. Following the phytochemical investigation, LC-MS analysis was employed to conduct a systematical characterization of the constituents from E. angustifolia fruits. Ultimately, fifty-six compounds, including seventeen phenols, one ionone, twenty-four triterpenes, and fourteen other ones, were unambiguously detected and identified. Moreover, in vitro anti-inflammatory activity screening of forty-four natural compounds presented in E. angustifolia fruits was performed by using the LPS-induced RAW264.7 cell model. Twenty-six compounds, including phenols, organic acids, and other compounds, showed assignable activity. Furthermore, their structure-activity relationships were summarized. Combined with the previous research work in our lab, triterpenes, phenols, and organic acids were speculated to be key components during the E. angustifolia fruits exerting anti-inflammatory activity. In summary, this article fully explored the chemical composition of E. angustifolia fruits, assayed their in vitro NO production inhibitory effects, greatly expanding its material foundation and laying a solid foundation for further research and development.

Analysing Efficacy of Chemical and Mechanical Weed Control Methods to Growth and Quality Enhancement in Grapes (Vitis vinifera)

Analysing Efficacy of Chemical and Mechanical Weed Control Methods to Growth and Quality Enhancement in Grapes (Vitis vinifera)

Pesticide pollution: toxicity, sources and advanced remediation approaches.

The Food and Agricultural Organization of the United Nations (FAO) estimates that food production must rise by 70% to meet the demands of an additional 2.3 billion people by 2050. This forecast underscores the persistent reliance on pesticides, making it essential to assess their toxicity and develop effective remediation strategies. Given the widespread utilisation of pesticides, it requires an urgent need to evaluate their toxicity and explore feasible remediation approaches for their removal. Hence, this review provides an overview of the latest information on the presence, distribution, sources, fate, and trends of pesticides in global environmental matrices, emphasizing the ecological and health risks posed by pesticide pollution. Currently, the dominant remediation techniques encompass physical, chemical, and biological methods, yet studies focusing on advanced remediation techniques remain limited. This review critically evaluates both newer and traditional approaches to pesticide removal, offering a descriptive and analytical comparison of various methods. The selection of the appropriate treatment method depends largely on the nature of the pesticide and the effectiveness of the chosen technique. In many cases, technologies such as membrane bioreactors and the fenton process could be integrated with biological technologies to enhance performance and overcome limitations. The study concludes that a hybrid approach combining various remediation strategies offers the most effective and sustainable solution for pesticide removal. Finally, the review underscores the need for further scientific investigation into the most viable technologies while discussing the challenges and prospects of developing safe, reliable, cost-effective, and eco-friendly methods for removing pesticides from the environment.

Optimize Formulation of Starch Propionate Nanoparticle Synthesis via Ultrasonication: A Box–Behnken Design Approach

AbstractChemically modified starch nanoparticles (NPs) have attracted significant scientific attention due to their versatility and broad applications. Despite substantial research on starch NPs formulation, approaches to starch modification for both conventional and novel uses remain underexplored. Native starch suffers from low shear stress, hydrophilicity, poor thermal properties, and limited resistance to digestion and retrogradation, necessitating modifications via physical, chemical, enzymatic, or genetic methods. Ultrasound‐assisted physical and chemical modification presents an efficient solution. This study synthesizes starch propionate NPs (SPNPs) through a single emulsification solvent evaporation method employing ultrasonication. The synthesis parameters are adjusted for particle size using a three‐factor, three‐level Box–Behnken design. The research examines the effects of polymer concentration, sonication energy, and sonication time, revealing that sonication time significantly impacts SPNPs size more than the other variables. Under optimized conditions, the predicted SPNPs size is 97.5 nm, with an actual observed size of 105 nm, indicating a strong correlation and validating the model’s reliability. The findings underscore the model’s effectiveness in producing size‐consistent nanoformulations, bolstering their potential as effective drug delivery vehicles.

Improvement on the screening of nonlinear commutator operations in selective coupled-cluster using Lagrangian.

We introduce a Lagrangian implementation of the full coupled-cluster reduction [Xu et al., Phys. Rev. Lett. 121, 113001 (2018)], that is, a selected coupled-cluster (CC) based on an arbitrary-order full CC expansion using direct commutator expansions. In this method, the screening for the products of cluster amplitudes plays a central role to reduce the computational cost for the nonlinear commutator operations, while the convergence of the total energy in the standard energy expression is not rapid with tightening the threshold. The new implementation using Lagrangian is robust, containing error only quadratic to those of amplitudes, allowing a much larger screening threshold. We demonstrate the performance of the new implementation by investigating the calculations of N2 and C6H6. The accuracy and applicability are also demonstrated for the potential energy curve of H2O in comparison with conventional quantum chemical methods.

Structural and antimicrobial properties of synthesized gold nanoparticles using biological and chemical approaches

This study explores the synthesis and characterization of gold nanoparticles (AuNPs) using green and chemical methods, employing ginger extract and curcumin as reducing agents, in comparison to sodium citrate reduction. The biosynthesized AuNPs synthesized with ginger extract exhibited an average hydrodynamic diameter of 15 and 10 nm for curcumin-conjugated AuNPs, while chemically synthesized AuNPs with sodium citrate displayed an average size of 10 nm. Assessments via Zeta potential measurements revealed negative surface charges across all samples, with the curcumin-conjugated AuNPs showing −36.3 mV, ginger extract-synthesized AuNPs showing −31.7 mV, and chemically produced gold nanoparticles having a surface charge of −40.4 mV. Transmission Electron Microscopy (TEM) confirmed spherical morphologies for the synthesized nanoparticles,and it revealed the presence of biomolecules embedded within the nanoparticles synthesized using biological materials, whereas chemically synthesized AuNPs lacked such features. The FTIR spectra of the biosynthesized AuNPs highlighted the presence of phenolic and aromatic compounds from the ginger extract and curcumin, indicating their role in coating the nanoparticles. Gas chromatography-mass spectrometry (GC-MS) analysis identified gingerol as a key component in the ginger extract, contributing to nanoparticle capping. The antimicrobial efficacy of the AuNPs was evaluated against P. aeruginosa, E. coli, and S. aureus, revealing superior activity for curcumin-AuNPs, with ginger-AuNPs also outperforming chemically synthesized counterparts. These findings confirm the advantages of biological approaches, using a plant extract like ginger and pure curcumin suspension, for better size distribution when used as reducing agents, along with improved antimicrobial efficacy compared to chemically produced gold nanoparticles synthesized with sodium citrate. This study also highlight the potential of green-synthesized AuNPs in biomedical applications, due to their enhanced stability from higher surface charge and the repeatability of biological methods.

Effect of Different Doping Concentrations on the Properties of Fe2+:ZnSe and Fe2+, Cr2+:ZnSe Crystals Grown by the Chemical Vapor Transport Method.

The Fe2+:ZnSe crystal is an important material for 3-5 μm mid-infrared lasers. In this work, we have grown different doping concentrations of Fe2+:ZnSe and Fe2+, Cr2+:ZnSe by the chemical vapor transport method. The doped crystals have the same structure. The lattice constant increases slightly with a higher Fe2+ concentration, while the doped Cr2+ has a great influence on the lattice constant. Besides, with a higher Fe2+ concentration, the TO mode has no change and the LO mode presents a small blue shift. The doped ZnSe crystals all have a wide absorption peak in the range of 2.3-4.5 μm, and these absorption peaks widen with the increase of the Fe2+ doping concentration. Besides, in the range of 5-20 μm, the crystals have good transparency. The concentrations of 3, 2, and 1% Fe2+ samples are calculated to be 4.15 × 1019, 3.27 × 1019, and 3.02 × 1019 cm-3, respectively, and the Fe2+ concentration of the Fe2+, Cr2+:ZnSe sample is 3.71 × 1019 cm-3. The band gap decreases from 2.52 to 2.27 eV with a higher Fe2+ doping concentration. Therefore, we can modulate the absorption bandwidth and band gap by doping the ion concentration, which is more suitable for developing mid-infrared gain medium applications.

Computational Studies of Molybdenum-Containing Metal–Sulfur and Metal–Hydride Clusters

The development of transition metal clusters is an active area of research in inorganic chemistry, as they can be used as catalysts to perform chemically or biologically relevant reactions. Computational chemistry, employing density functional theory (DFT), plays a key role in rationalizing the electronic structure and properties of transition metal clusters. This article reviews recent quantum chemical studies of Mo3S4M clusters (M = Fe, Co, Ni), their CO- or N2-bound variants, and metal–hydride clusters. The ground state of the cluster systems was computed, and properties such as metal–metal bonding, orbital interactions, fluxional behavior of ligands, spectroscopy, and reaction mechanisms were rationalized and compared with available experimental results. Our research findings evidence that computational studies employing quantum chemical methods can guide experimental researchers to develop novel transition metal clusters for potential applications in catalysis.

Co-Extraction of DNA and RNA from Candida albicans Using a Chemical Method in Conjunction with Silicon Carbide with Few Cells

Objective: The study aimed to optimize protocols for the joint extraction of deoxyribonucleic acid (DNA) and ribonucleic acid (RNA) from 0.025 × 106 CFU of Candida albicans, targeting to overcome the challenges in the extraction of these genetic materials. Materials and methods: From this, treated silicon carbide (SiC) granules were added to fungal samples from methods 1, 2, and 3 obtained from aliquots of BHI or Sabouraud medium to cause cell lysis and enable the isolation of these macromolecules by phenol and chloroform. The concentration and integrity of the extracted nucleic acids were analyzed, respectively, by spectrophotometry using the A260/A280 ratios and 1% agarose gel electrophoresis. Results: Therefore, method 3 is the one that most comprises samples considered pure of both DNA and RNA, simultaneously. Furthermore, the presence of intact RNAs corresponding to the base pair size such as 5.8 S rRNA and tRNA was verified during electrophoresis, considering the particularities of RNA, which makes it very unstable and easily degraded. Conclusions: Thus, it results in a faster and simpler method in addition to obtain promising results using minimal amounts of biological sample and offering a valuable alternative for small laboratories to work with molecular biology.

Digital Etching of Molybdenum Interconnects Using Plasma Oxidation

AbstractMolybdenum (Mo) has a high potential of becoming the material of choice for sub‐10 nm scale metal structures in future integrated circuits (ICs). Manufacturing at this scale requires exceptional precision and consistency, so many metal processing techniques must be reconsidered. In particular, present direct wet chemical etching methods produce anisotropic etching profiles with significant surface roughness, which can be detrimental to device performance. Here, it is shown that polycrystalline Mo nanowires can be etched uniformly using a cyclic two‐step “digital” method: the metal surface is first oxidized with isotropic oxygen plasma to form a layer of MoO3, which is then selectively removed using either wet chemical or dry isotropic plasma etching. These two steps are repeated in cycles until the intended metal recess is achieved. High uniformity of plasma oxidation defines the etching uniformity, and small metal recess per cycle (typically 1–2 nm) provides precise control over the etching depth. This method can replace wet etching where high etching precision is needed, enabling the reliable manufacturing of nanoscale metal interconnects.

Overview of Brinjal (Solanum melongena L.) Pests and Their Management: A Review

Brinjal (eggplant or aubergine), a widely cultivated vegetable in tropical and subtropical regions, faces significant threats from a variety of insect pests. These pests cause substantial damage at different stages of crop growth, leading to reduced yields and compromised fruit quality. This review provides a comprehensive overview on the major insect pests that affect brinjal cultivation, focusing on their biology, damage mechanisms, and current management practices. Special emphasis is placed on integrated pest management (IPM) strategies, combining cultural, biological and chemical control methods to promote sustainable brinjal production.

Versatile Organometallic Synthesis of 0D/2D Metal@Germanane Nanoarchitectonics for Electrochemical Energy Conversion Applications.

Hydrogen-terminated 2D-Germanane (2D-GeH), a germanium-based 2D material akin to graphene, is receiving enormous attention owing to its predicted optoelectronic characteristics. However, experimental research of 2D-GeH is still in an early stage, and therefore its real implementation for task-specific applications will depend on the correct development of suitable chemical functionalization methods. Herein, a general and straightforward organometallic (OM) approach is provided for the robust functionalization of 2D-GeH with different 0D noble metal nanoparticles (M-NPs), resulting in 0D/2D M@GeH nanoarchitectonics. As a proof-of-principle, 0D/2D Pt@GeH and Au@GeH nanoarchitectonics have been successfully synthesized, characterized, and explored as unconventional electrocatalysts for boosting energy conversion reactions. While the hydrogen evolution reaction activity was evaluated for Pt@GeH, the oxygen reduction reaction was interrogated for Au@GeH. Interestingly, the implanted catalytic features of M-NPs yielded to 0D/2D M@GeH nanoarchitectonics with enhanced energy conversion activity comparing to pristine 2D-GeH counterpart. This work proves the suitability of 2D-GeH as unconventional substrates to stabilize nobleM-NPs, and the versatility of the OM approach for the custom design of a new family of 0D/2D M@GeH nanoarchitectonics to expand the implementation of monoelemental 2D materials as promising electrocatalysts in energy conversion field and beyond.

Semiclassical Transition State Theory (SCTST) Rate Coefficients for the Unimolecular Decomposition of the Ethoxy (CH3CH2O) Radical.

The thermal unimolecular decay of ethoxy is important in high-temperature combustion environments where the ethoxy radical is a key reactive intermediate. Two dissociation pathways of ethoxy, including the β-C-C scission to yield CH3 + CH2O and the H-elimination to make H + CH3CHO, were characterized using a high-level coupled-cluster-based composite quantum chemical method (mHEAT-345(QΛ)). The former route is found to be dominant while the latter is insignificant, in agreement with previous experimental and theoretical studies. Thermal rate coefficients are calculated for P = 0.001-658 atm (of air) and T = 300-2500 K using semiclassical transition state theory (SCTST) in combination with a pragmatic two-dimensional E,J-resolved master equation (2DME). The effects of tunneling and anharmonicity on the calculated rate constants are also examined. The tunneling factor is found to be inversely dependent on pressure, contrary to previous observations of pressure-dependent tunneling in entrance channels.

Green Synthesis of New Spiropyrrole Derivatives by Employing Activated Carbonyl Compounds and Graphen Oxide Decorated on Ag@CuO/ZnO NPs or CuO/ZnO NPs: Theoretical and Biological Study

ABSTRACTThis study focused on investigating the synthesis of new spiropyrrole derivatives with high yields. The two nanocatalyst CuO/ZnO@Graphen Oxide nanocomposites (CuO/ZnO@GO NCs) and Ag/CuO/ZnO@Graphen Oxide (Ag@CuO/ZnO@GO NCs) were employed in a multicomponent reaction at room temperature to synthesize new compounds. The reaction involved isatins, N‐alkyl isatins, and ninhydrin as activated carbonyl compounds, ammonium acetate, ethyl 2‐arylamino‐4‐dioxo‐4‐arylbutanoates, hydrazonoyl chloride, or ethylbromopyruvate in water. Also, the catalytic activity of the green synthesized CuO/ZnO@GO and Ag@CuO/ZnO@GO was evaluated in the reduction of organic pollutants such as 4‐nitrophenol (4‐NP) in water at mild conditions. The results indicated that the biosynthesized MNCs have very high and effective catalytic activity for organic pollutants within a few seconds. The newly synthesized spiro compounds demonstrate antioxidant activity as a result of two assessment processes conducted by its NH group. In addition, the antibacterial activity of newly created spiro compounds was assessed using a disk distribution method, involving two types of Gram‐negative bacteria. These compounds were found to limit the growth of Gram‐positive bacteria as well. Also, to better understand the reaction mechanism, density functional theory (DFT)–based quantum chemical methods have been applied. The advantages of this technology encompass rapid response times, high product yields, and uncomplicated catalyst and product separation via simple procedures.