Correction: Efficient dye degradation, antimicrobial behavior and molecular docking analysis of gold (Au) and cellulose nanocrystals (CNC)-doped strontium oxide nanocomposites

Efficient dye degradation, antimicrobial behavior and molecular docking analysis of gold (Au) and cellulose nanocrystals (CNC)-doped strontium oxide nanocomposites

The degradation efficiency, influencing factors and kinetics of SF Blue dye in UV/H2O2 system were investigated. The results show that UV/H2O2 has a high activity on the dye degradation. The degradation ratio at 60 min is 98% for the system containing 0.5 mL 5% H2O2 in 150 mL 100 mg/L dye solution. The photodecomposition reaction of the dye is accompanied with photooxidative degradation. The results also show that the photooxidative degradation of the dye in UV/H2O2 system is a firstorder reaction with an activation energy of 5.17 kJ/mol and a pre-exponential factor of 0.168 min-1 the photodecomposition of the dye in UV system is also a first-order reaction with an activation energy of 16.9 kJ/mol and a pre-exponential factor of 1.04 min-1. In addition, the best degradation efficiency of the dye could be achieved under a strong alkaline condition with initial pH of the dye solution around 12.

In this study, a cellulose nanocrystal (CNC)-supported Ag–ZnO nanocomposite was synthesized via a hydrothermal route as a polymeric photocatalyst for efficient UV-A light-driven dye degradation. The renewable CNC framework provides abundant hydroxyl functional groups for nanoparticle anchoring, enhancing dispersion and interfacial charge transfer. Structural (XRD, FTIR, TEM, PL, and XPS) and thermal (TGA and DTG) analyses confirm successful incorporation of Ag nanoparticles and retention of CNC crystallinity. The composite exhibits a reduced optical bandgap (3.02 eV) and demonstrates superior photocatalytic activity, achieving 96% methylene blue (MB) degradation within 120 min. Enhanced performance is attributed to the synergistic effect of Ag-induced plasmonic excitation and CNC-facilitated charge migration, effectively suppressing ZnO photocorrosion. Moreover, the optimization of the parameters was conducted and found to be pH 7, a catalyst dose of 0.3 g L−1, and an initial MB concentration of 10 ppm, which shows the best photocatalytic degradation reaction. The CNC/Ag–ZnO catalyst maintains 87% activity after five reuse cycles, showing good stability and reusability. The photostability of the CNC/Ag–ZnO catalyst was evaluated by ICP-MS, which measured Zn2+ concentration in the aqueous solution. Additionally, the degraded MB compounds were identified using GC-MS/MS analysis. This work highlights the potential of polymer-based biogenic supports for sustainable photocatalyst design and bridges polymer science with environmental remediation technology.

Zn-Fe layered double hydroxide (LDH) was synthesized through the low-temperature-based coprecipitation method. Various concentrations of Ag (1, 3, and 5 wt %) with a fixed amount (5 wt %) of polyvinylpyrrolidone (PVP) were doped into LDH nanocomposites. This research aims to improve the bactericidal properties and catalytic activities of doping-dependent nanocomposites. Adding Ag and PVP to LDH enhanced oxygen vacancies, which increased the amount of hydroxide adsorption sites and the number of active sites. The doped LDH was employed to degrade rhodamine-B dye in the presence of a reducing agent (NaBH4), and the obtained results showed maximum dye degradation in a basic medium compared to acidic and neutral. The bactericidal efficacy of doped Zn-Fe (5 wt %) showed a considerably greater inhibition zone of 3.65 mm against Gram-negative (G-ve) or Escherichia coli (E. coli). Furthermore, molecular docking was used to decipher the mystery behind the microbicidal action of Ag-doped PVP/Zn-Fe LDH and to propose an inhibition mechanism of β-ketoacyl-acyl carrier protein synthase IIE.coli (FabH) and deoxyribonucleic acid gyrase E.coli behind in vitro results.

Cellulose nanocrystals (CNCs) have unparalleled advantages in the preparation of nanocomposites for various applications. However, a major challenge associated with CNCs in nanocomposite preparation is the lack of compatibility with hydrophobic polymers. The hydrophobic modification of CNCs has attracted increasing interest in the modern era standing with long challenges and being environmentally friendly. Here, we synthesized CNCs by using cotton as raw material and then modified them with 2-carboxyethyl acrylate to improve their corresponding mechanical, adhesive, contact angle, and thermal properties. Different concentrations (1–5 wt%) of CNCs were used as modifiers to improve the interfacial adhesion between the reinforced CNCs and E-51 (Bisphenol A diglycidyl ether) epoxy resin system. CNCs offered a better modulus of elasticity, a lower coefficient of energy, and thermal expansion. Compared with the standard sample, the modified CNCs (MCNCs) showed high shear stress, high toughness, efficient degradation, thermal stability, and recycling due to the combined effect of the hyperbranched topological structure of epoxy with good compatibility. The native CNCs lost their hydrophilicity after modification with epoxy, and MCNCs showed good hydrophobic behavior (CA = 105 ± 2°). The findings of this study indicate that modification of CNCs with 2-carboxyethyl acrylate in the presence of epoxy resin and the enhancement of the features would further expand their applications to different sectors.

In this research,CuO nanostructures doped with Ag and cellulosenanocrystals (CNC) were synthesized using a facile coprecipitationtechnique. In this work, we doped Ag into fixed quantities of CNCand CuO to improve the photocatalytic, catalytic, and antibacterialactivity. It was noted that catalytic activity increased upon doping,which was attributed to the formation of nanorods and a pH effect,while the reverse trend was observed in photocatalytic activity. Theaddition of Ag and CNC dopants into CuO improved the bactericidalefficacy for S. aureus and E. coli. In addition, to obtain insight into thepossible mechanism behind their biocidal effects, molecular dockingstudies were conducted against specific enzyme targets: namely, dihydrofolatereductase from E. coli and DNA gyrasefrom S. aureus. This study suggestedthat codoped CuO could be highly efficient in the cleaning of pollutedwater and antibacterial applications.

Reactive Green (RG19) is one of azo dye that potentially hazardous towards human due to highly recalcitrant to degrade and still lack of effective treatments. This study introduced a significant study since numerous conventional treatment processes were not capable of removing that azo dye in fast and efficient process. Therefore, increase strong potential of sulfate and hydroxyl radical resulting in an improvement towards Advanced Oxidation Processes (AOPs) which is ozonation process has been proposed to degrade RG19 dye efficiently. Ozonation (O3) and Ozone/Persulfate (O3/S2O82-) processes were tested either can be a standalone process or need a better combination of a catalyst which is sodium persulfate (Na2S2O8). The efficiency of dye degradation as follows: colour removal, chemical oxygen demand (COD) and the presence of organic molecules. The efficiency colour removal with O3 reached 75% while (O3/S2O82-) reached 85% at similar reaction time. Also, the average rate of efficiency COD removal (O3/S2O82-) yielded the highest 27.82% whereas O3 reached only 10%. After that, the effects of operational conditions had been investigated in (O3/S2O82-) process including the fixed initial concentration of the dyes, initial pH of the RG19 (2-6), Na2S2O8 concentration (25-65 mM) and contact time (3-25 min) on the colour and COD removal efficiency. Central composite design (CCD) has been applied to achieve the optimization of (O3/S2O82-) was resulting (Colour removal; R2 = 0.900, COD removal; R2 = 0.508). Hence, the optimum conditions of the process at (pH 8, 40 mM, 14 min) and can be shown specifically by mathematical modelling equation also based on interactive effect by 3D contour plot. This overall result indicates that (O3/S2O82-) process enhances a synergistic effect that could be observed in structural changes of dye molecule along RG19 degradation.Reactive Green (RG19) is one of azo dye that potentially hazardous towards human due to highly recalcitrant to degrade and still lack of effective treatments. This study introduced a significant study since numerous conventional treatment processes were not capable of removing that azo dye in fast and efficient process. Therefore, increase strong potential of sulfate and hydroxyl radical resulting in an improvement towards Advanced Oxidation Processes (AOPs) which is ozonation process has been proposed to degrade RG19 dye efficiently. Ozonation (O3) and Ozone/Persulfate (O3/S2O82-) processes were tested either can be a standalone process or need a better combination of a catalyst which is sodium persulfate (Na2S2O8). The efficiency of dye degradation as follows: colour removal, chemical oxygen demand (COD) and the presence of organic molecules. The efficiency colour removal with O3 reached 75% while (O3/S2O82-) reached 85% at similar reaction time. Also, the average rate of efficiency COD removal (O3/S2O8...

A notable level of apprehension exists over the adverse impacts of dye pollution on aquatic ecosystems and human well-being. The primary objective of this research is to assess the effectiveness of Fenton catalytic reactions in degrading 14 different commercial azo dyes (both single and double) present in aqueous solutions. The investigation focused on the function of dye structures, using a combination of experimental data and examination of theoretical factors. Dye degradation process was carried out at pH 3, and the concentrations of Fe2+ (10-4 mol/L), H2 O2 (2 × 10-3 mol/L), and dye (0.05 g/L). The findings revealed that dyes with a larger molecular weight were more effective at degrading (D%), with the overall degradation efficiency varying from 0% to 94%. Functional groups played an important role in degradation efficiency; for example, dyes with higher aromatic rings led to less D%, while a higher number of sulfonic, methyl, and nitro groups was responsible for better D%. Notably, the presence of OH groups in the backbone of dyes (AB 24, ABE 113, and MB 9) formed the Fe complex during the catalytic process, and the D% was minimal. On the other hand, theoretical quantum calculations such as the greater the JCLogP, highest occupied molecular orbital, and Dipole moment value, the higher the degradation efficiency. And dyes with low lowest unoccupied molecular orbital tended to have a better degradation efficiency. To some extent, UV-Vis spectral analysis was investigated to determine the degradation pathway, and the pseudo-second-order kinetic model fitted better in the degradation process. The overall experimental and theoretical findings suggested that dye degradation efficiency by the Fenton process is structure-dependent. PRACTITIONER POINTS: Insights into the role of azo dye structures-properties on degradation efficiency. Higher molecular weight and sulfonic groups containing dyes showed better degradation efficiency. Hydroxyl groups play the formation of the Fe complex during the degradation process. Higher values of HOMO and lower values of LUMO enhanced degradation efficiency. The pseudo-second-order (PSO) kinetic model obeyed the Fenton process.

Study on preparation methodology of zero-valent iron decorated on graphene oxide for highly efficient sonocatalytic dye degradation

Surface nanoparticle-reinforced 3D squeezable piezocatalytic foam for highly efficient dye degradation

Fabrication and characterization of needle shaped CuO nanoparticles and their application as photocatalyst for degradation of organic pollutants

Photocatalytic activity of molybdenum-doped LOS- zeolite for efficient dye degradation and hydrogen production

Transition metal oxides (TMO) and their carbon composites have become a glittering upcoming material science candidate. Their interesting properties, such as their meticulous morphology, plentiful availability, flexible surface chemistry along with outstanding mechanical, thermal, and optical properties make them ideal for efficient photocatalytic dye degradation. An extensive range of TMO, and their carbon composites are reviewed highlighting the progression and opportunities for the photocatalytic degradation of dyes. Here, we concisely describe the numerous techniques to extend the optical absorption of these TMOs involving dye sensitization, metal doping, etc. Besides this, an overview of all aspects of dye degradation along with the prevailing challenges for future utilization and development of such nanocomposites towards highly efficient dye degradation system are also reported.

Photocatalytic efficiency of CdS can be improved significantly by controlling the morphology and recombining with other semiconductor materials. In this work, a novel snowflake-like CdS/reduced graphene oxide (rGO) composite was prepared by a simple hydrothermal process using graphene oxide and CdS as raw materials and l-aspartic acid as template. The structure of the composites were characterized by scanning electron microscopy, transmission electron microscopy, X-ray diffraction. Through a basic analysis, a simple synthesis mechanism of snowflake-like CdS is proposed, and transient photocurrent technology demonstrate that the photocurrent of snowflake-like CdS/rGO is greatly improved. Compared with pure CdS, snowflake-like CdS/rGO exhibits efficient organic dye adsorption and degradation under visible light irradiation, resulting from the involving of rGO sheet as chainmail, which facilitates the charge separation, suppresses the recombination of electron–hole pairs, and improves light conversion efficiency of catalysts.

The present investigation sought to conceptualize and fabricate a novel series of azo-oxazine-tetrazole hybrids (C1-C3) and to assess their prospective utility as antibacterial agents by integrating them into pH-responsive nanocomposites derived from TEMPO-oxidized Cellulose Nanocrystals (CNCs). The primary aim was to establish a controlled drug delivery system that demonstrates efficacy against Methicillin-Resistant Staphylococcus aureus (MRSA). The synthesis of azo-oxazine-tetrazole compounds was conducted through a series of multi-step chemical reactions, followed by their conjugation with TEMPO-oxidized CNCs. Structural validation was performed using Fourier-transform infrared (FT-IR) spectroscopy, and surface morphology was characterized by Scanning Electron Microscopy (SEM). Antibacterial activity was assessed employing the disc diffusion method, whereas molecular docking studies against the bacterial 6LXH protein elucidated binding affinities. Additionally, drug loading, release kinetics under variable pH conditions (5.5 and 7.4), and ADME (absorption, distribution, metabolism, excretion) characteristics were examined utilizing SwissADME computational tools. FT-IR spectroscopy corroborated the successful synthesis of the hybrids and their conjugation to CNCs. SEM analysis illustrated uniform CNC fibrils with an average diameter measuring 15 ± 3 nm. The drug-loading efficiencies ranged from 79% to 86%. Among the evaluated compounds, C2 demonstrated the most pronounced antibacterial activity against MRSA, with an inhibition zone of 28 mm at 300 μg/mL. Molecular docking analyses indicated a significant binding affinity for C2, reflected in a MolDock score of -141.428. The drug release exhibited pH sensitivity, achieving 92% release at pH 5.5 and 68% at pH 7.4. Compounds C2 and C3 displayed favorable drug-likeness and low gastrointestinal absorption, coupled with minimal penetration across the blood-brain barrier. This investigation demonstrates the successful formulation of pH-sensitive antibacterial nanocomposites with enhanced drug-delivery properties. The superior performance of C2 can be ascribed to its robust molecular interactions with bacterial proteins and its effective release in acidic environments, which are typically encountered at infection sites. Such findings underscore the hybrid's potential as a targeted therapeutic approach for combating drug-resistant infections. The synthesized azo-oxazine-tetrazole-CNC nanocomposites, particularly C2, exhibit promising antibacterial efficacy, pH-responsive drug release profiles, and advantageous pharmacokinetic properties. These results substantiate their potential for application in the design of nextgeneration nanocarrier systems to address resistant bacterial infections.