Zinc-Imidazole Metal-Organic Nanocomposite for High-Efficiency Crystal Violet Removal and Antibacterial Applications for Environmental Remediation

Zinc-Imidazole Metal-Organic Nanocomposite for High-Efficiency Crystal Violet Removal and Antibacterial Applications for Environmental Remediation | Research Square window.SnipcartSettings = { analytics: { enabled: false } }; (function() { var accessVector = localStorage.getItem('access_vector') || ''; window.dataLayer = window.dataLayer || []; if (accessVector) { window.dataLayer.push({ user: { profile: { profileInfo: { snid: accessVector } } } }); } })(); (function(w,d,s,l,i){w[l]=w[l]||[];w[l].push({'gtm.start':new Date().getTime(),event:'gtm.js'});var f=d.getElementsByTagName(s)[0],j=d.createElement(s),dl=l!='dataLayer'?'&l='+l:'';j.async=true;j.src='https://www.googletagmanager.com/gtm.js?id='+i+dl;f.parentNode.insertBefore(j,f);})(window,document,'script','dataLayer','GTM-K279D39R'); Browse Preprints In Review Journals COVID-19 Preprints AJE Video Bytes Research Tools Research Promotion AJE Professional Editing AJE Rubriq About Preprint Platform In Review Editorial Policies Our Team Advisory Board Help Center Sign In Submit a Preprint Cite Share Download PDF Research Article Zinc-Imidazole Metal-Organic Nanocomposite for High-Efficiency Crystal Violet Removal and Antibacterial Applications for Environmental Remediation Sibani Sahu, Soumyaranjan Senapati, Madhusmita Pradhan, Satya Narayan Sahu, and 6 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-8169759/v1 This work is licensed under a CC BY 4.0 License Status: Posted Version 1 posted You are reading this latest preprint version Abstract The development of multifunctional materials capable of simultaneously removing toxic dyes and providing antibacterial protection is critical for sustainable environmental remediation. In this study, a zinc-imidazole ([Zn-Im]) metal-organic nanocomposite was synthesized and evaluated for its dual role in removing Crystal Violet (CV) dye from aqueous systems and inhibiting bacterial growth. Characterization by FT-IR, XRD, SEM-EDX, and elemental mapping confirmed successful coordination between ZnO and 2-methylimidazole, yielding a porous and well-structured nanocomposite. Adsorption studies demonstrated that [Zn-Im] achieved 95% CV removal within 5 h under optimal conditions, following pseudo-second-order kinetics and fitting well to the Langmuir isotherm. The presence of competing ions reduced efficiency due to site blocking, but high removal rates were maintained for both tap water and pond water. Antibacterial assays revealed strong inhibitory effects against Bacillus cereus, Bacillus amyloliquefaciens, and multiple Burkholderia cepacia strains, with tolerance varying by species. Molecular docking suggested favorable π-π and π-alkyl hydrophobic interactions between CV and [Zn-Im], supporting the observed adsorption performance. The nanocomposite retained 60% efficiency after four reuse cycles, highlighting its reusability potential. Overall, [Zn-Im] offers an effective, reusable, and multifunctional solution for integrated sustainable environmental remediation. Zinc-Imidazole Metal-Organic Nanocomposite Crystal Violet Dye Adsorption Antibacterial Activity Environmental remediation Molecular Docking Figures Figure 1 Figure 2 Figure 3 Figure 4 Figure 5 Figure 6 Introduction Water is an essential resource for sustaining life. The 2021 UNESCO World Water Development Report indicates that global freshwater consumption has increased nearly sixfold over the past hundred years. However, maintaining water quality has become a growing challenge as usage continues to rise [ 1 ]. Major contributors to water contamination include mining activities, oil spills, leakage of nuclear waste, industrial discharges, and extensive pesticide application, all of which leave harmful residues in aquatic environments [ 2 – 4 ]. Various human activities also introduce heavy metals, synthetic dyes, pharmaceuticals, radionuclides, and other toxic substances into water systems, causing both direct and indirect ecological damage [ 5 – 7 ]. It is estimated that around two million tons of untreated wastewater and other effluents enter natural water bodies each day [ 3 ]. The problem is particularly severe in developing countries, where wastewater treatment and sanitation infrastructure remain significantly underdeveloped [ 8 , 9 ]. Organic dyes and pigments, extensively applied in the production of synthetic plastics, textiles, cosmetics, and pharmaceuticals, are among the most significant pollutants adversely affecting water quality. Many of these hazardous dyes exhibit high resistance to chemical, oxidative, and catalytic degradation processes, including treatment with oxidants and catalysts [ 4 ]. Their breakdown into less harmful or non-toxic forms is often challenging [ 10 – 12 ]. Furthermore, these dyes exert direct impacts on human life and health [ 13 , 14 ]. Crystal Violet (CV), a widely used dye in various industries-such as leather, detergent, fertilizer, and antifreeze manufacturing, is a prime example [ 2 ]. Classified as a triphenylmethane basic dye, CV has long been employed as a biological stain in both human and veterinary medicine. Beyond its staining applications, CV is also used as a disinfectant to inhibit fungal growth in poultry feed and serves as a genotoxic and bacteriostatic agent in certain healthcare formulations [ 5 ]. Despite its wide range of industrial and biomedical applications, Crystal Violet (CV) is recognized as a highly persistent dye that remains in the environment for extended periods, posing significant ecological and health risks. It is classified as acutely toxic and carcinogenic [ 7 ], and its chemical stability allows it to accumulate in aquatic systems, where it can severely impact aquatic organisms and cause serious ocular damage [ 15 , 16 ]. Additionally, CV acts as a potent carcinogen, mitotic toxin, and clastogen, making its removal from water systems an urgent priority. A variety of physical, chemical, and biological approaches have been explored for water decontamination, including coagulation, biological degradation, chemical precipitation, advanced oxidation, ozonation, sedimentation, adsorption, filtration, reverse osmosis, electrochemical oxidation, flocculation, and degasification [ 17 , 18 ]. However, many of these methods are hindered by high operational costs, the need for advanced equipment, and large space requirements [ 19 – 21 ]. Photodegradation has emerged as a promising alternative for pollutant removal, while adsorption has gained considerable attention due to its high efficiency, reusability, and cost-effectiveness compared to conventional treatment methods [ 22 , 17 ]. Nonetheless, designing adsorbent materials with high selectivity for dye removal from complex water systems remains a substantial challenge [ 10 , 23 ]. Over the past few decades, numerous studies have reported the application of carbon nanotubes, graphene, MXene, activated carbon, hydrotalcite, zero-valent iron, and other nanomaterials for water purification via catalytic and adsorption processes [ 24 , 25 ]. However, these materials often face limitations such as high production costs, significant energy requirements, complex synthesis procedures, poor stability, and limited selectivity [ 26 – 28 ]. Consequently, there remains a strong demand for the development of advanced and more efficient adsorbents for wastewater treatment [ 2 , 29 , 30 ]. In this regard, metal-organic frameworks (MOFs) have emerged as promising candidates for dye adsorption due to their well-defined crystalline architecture, exceptionally high porosity, tunable pore size, and extensive surface area [ 31 – 33 ]. These unique characteristics make MOFs highly suitable for effective and selective adsorption applications [ 34 ]. Moreover, beyond their adjustable porosity and targeted adsorption capabilities, certain MOFs also exhibit inherent antimicrobial activity primarily attributed to the controlled release of Zn²⁺ ions [ 35 ]. These ions are known for their strong bactericidal properties and ability to inhibit the growth of a wide spectrum of microorganisms [PMC9581157]. Building on these combined properties, the present study explores the dual functionality of the [Zn-Im] nanocomposite by assessing its efficiency in removing Crystal Violet from aqueous systems and evaluating its antibacterial activity. This integrated evaluation is particularly significant for the development of multifunctional materials that can simultaneously purify contaminated water or soil and provide disinfection, thereby addressing two critical environmental challenges within a single treatment strategy. Materials and Methodology Chemicals and Reagents: Every analytical grade reagent was used exactly as it was delivered. Deionized water was used for the preparation of all water-based solutions. Using C 5 N 3 H 30 Cl (NICE), a synthetic CV stock solution was made at a concentration of 100 mg/L and substantially diluted to different concentrations whenever needed. 2-methyl imidazole, ZnO, Methanol and DMF were purchased from NICE Chemicals. NaOH, Conc. HCl, NaNO 3 , Na 2 HPO 4 , Na 2 EDTA.2H 2 O, Na 2 SiO 3 .9H 2 O CaCl 2 , NaCl, FeSO 4 .7H 2 O, NH 4 OH, NH 4 Cl, MgCl 2 .6H 2 O, Eriochrome black T, and 2 methoxy methanol were purchased from SRL Chemicals. Sodium sulfate (Na 2 SO 4 ) was purchased from Pallab Chemicals. Apparatus and Instruments: All glassware and apparatus were immersed in concentrated nitric acid (Merck) for 24 hours, thoroughly rinsed with double-distilled water followed by tap water, and subsequently dried in a hot-air oven. A high-precision electronic balance (Sartorius, BSA2245-CW) was used for all weighing procedures. LABQUEST (BOROSIL) micropipettes with disposable tips were employed for sample handling. A digital pH meter (Spancotek) was used to measure all pH values. Water quality parameters were determined using standard titrimetric methods. UV-vis absorbance measurements were conducted using a Cary 60 UV-Vis spectrophotometer (Agilent, USA), equipped with a 1 cm quartz cell. Fourier-transform infrared spectroscopy (FT-IR) was performed using a Thermo Scientific NICOLET iS5 instrument. Surface morphology and elemental composition were analyzed using a Zeiss Gemini 450 scanning electron microscope (SEM/EDX). Phase identification was carried out using a Bruker D8 ADVANCE X-ray diffract meter with Cu Kα radiation. Synthesis of nanocomposite [Zn-Im]: The metal-organic nanocomposite [Zn-Im] was synthesized using a slightly modified procedure reported in the literature [ 36 ]. In a 50 mL round-bottom flask (RB flask), 2.00 g (0.0245 mol) of zinc oxide (ZnO) was dispersed in a minimal amount of N, N-dimethylformamide (DMF), followed by the addition of a methanolic solution containing 8.04 g (0.098 mol) of 2-methylimidazole. The resulting mixture was stirred at 850 rpm and heated to 60°C for 5 hours using a hot plate magnetic stirrer. After completion of the reaction, the mixture was filtered, washed with methanol, and dried in an oven at 80°C. Yield: 1.98 g (99%). Adsorption of Crystal Violet CV on Nanocomposite [Zn-Im]: The adsorptive capacity of the nanocomposite [Zn-Im] was investigated for the removal of the hazardous organic dye Crystal Violet (CV) from an aqueous environment. A 10 mg/L CV solution was prepared and placed in a beaker, followed by the addition of 7 g/L of the nanocomposite [Zn-Im] at pH 6.8. The mixture was stirred on a magnetic stirrer at a speed of 530–550 rpm under room temperature conditions. Dye adsorption was monitored at one-hour intervals using a UV-vis spectrophotometer (as shown in Figure S1 ). As adsorption progressed, the absorbance of the dye solution decreased, indicating dye uptake by the nanocomposite. The adsorption increased steadily over time, reaching a maximum after 5 hours, at which point approximately 95% of the dye was removed from the solution. Antimicrobial activity of nanocomposite [Zn-Im]: The antibacterial potential of the synthesized [Zn-Im] nanocomposite was assessed using the agar well diffusion technique. In this method, 24-hour old bacterial cultures were evenly spread onto nutrient agar plates. Sterile wells, 6 mm in diameter, were then created using a cork borer. Each well was loaded with the nanocomposite at different concentrations. The plates were incubated at ambient temperature, and the diameter of the inhibition zones was measured in millimeters to evaluate antibacterial efficacy. Additionally, the [Zn-Im] complex was further tested for its in vitro antimicrobial activity using the broth dilution method against selected bacterial strains, including Bacillus cereus (KT582541), Bacillus amyloliquefaciens (KT633845), and three Burkholderia cepacia strains (KT717633, KT717634, and KM030037). Result and Discussion FT-IR Studies: The FT-IR spectrum of the nanocomposite [Zn-Im] exhibits characteristic bands confirming the successful coordination between ZnO and the organic framework (As shown in figure S2). A broad band around 3625 cm⁻¹ corresponds to O–H stretching vibrations of adsorbed water on the ZnO surface [ 37 ]. Peaks at 2903 cm⁻¹ are attributed to C–H stretching from the methyl group in 2-methylimidazole [ 38 ]. Additionally, strong absorption bands at 1671 and 1654 cm⁻¹ indicate C = N and C = C stretching within the imidazole ring, suggesting coordination through nitrogen [ 39 ]. Notably, the bands at 693 and 667 cm⁻¹ are attributed to Zn-N stretching, confirming metal-ligand coordination [ 40 ]. These observations collectively confirm the formation of a [Zn-Im] nanocomposite. XRD analysis The structural characteristics of the zinc nano-composite [Zn-Im] were analyzed using XRD patterns (illustrated in Figure S3). The spectra display peaks at 2θ angles of 31.7876, 34.4512, 36.2741, and 47.5563, which correspond to the (101) crystallographic plane of the ZnO nanocomposite. Additionally, peaks observed at 7.3598, 10.3981, 12.7477, 14.7327, 16.4544, 18.0647, 56.5901, 62.8794, 67.9432, along with several smaller peaks, align with other crystallographic planes of ZnO, such as (100), (002), (102), and (201) [ 41 , 42 ]. The XRD pattern was compared to the reference pattern (JCPDS No. 36-1451), which is characteristic of wurtzite-structured ZnO. SEM-EDX Analysis: The surface morphology and elemental composition of the nanocomposite [Zn-Im] were examined using SEM/EDX analysis. The SEM image reveals the presence of white patches on the ZnO surface, suggesting successful surface modification. Elemental mapping further confirms the presence of carbon, oxygen, nitrogen, and zinc, as shown in Fig. 1 . Additionally, energy-dispersive X-ray spectroscopy (EDX) was employed to quantify the elemental composition of the nanocomposite, as presented in Figure S4. The elemental percentages are summarized in Table S1 , indicating C (48.4%), N (22.7%), O (10.3%), and Zn (18.6%). These results confirm the successful immobilization of 2-methylimidazole on the ZnO surface, leading to the formation of the [Zn-Im] nanocomposite. Crystal Violet dye degradation: The metal-organic nanocomposite [Zn-Im] exhibits strong dye adsorption capabilities and facilitates the degradation of dyes, making it a promising material for wastewater treatment applications. It has the potential to accelerate dye degradation through catalytic or adsorption-assisted mechanisms [ 43 – 46 ]. In this study, the synthesized [Zn-Im] nanocomposite was employed for the degradation of Crystal Violet dye, a common pollutant found in industrial wastewater. To achieve maximum degradation efficiency, several reaction parameters were systematically optimized, including reaction time, nanocomposite dosage, pH variation, initial dye concentration, and the presence of foreign ions. To evaluate the time required for the degradation of Crystal Violet dye, a 10 mg/L dye solution was treated with the nanocomposite [Zn-Im] (7 g/L) at pH 6.8 under vigorous stirring at room temperature. Figure 2 (A) illustrates the degradation profile over time. The percentage of dye degradation increased steadily from 0% at the start to approximately 95% within 5 hours. Beyond this time, no significant increase (only 0.3%) in degradation efficiency was observed. Therefore, a reaction time of 5 hours was considered optimal for maximum dye degradation under the given conditions. The effect of varying dosages of the nanocomposite [Zn-Im] on the degradation of Crystal Violet dye was investigated using nine different amounts: 2 g, 3 g, 4 g, 5 g, 6 g, 7 g, 8 g, 9 g, and 10 g. Throughout the study, the dye concentration (10 mg/L), pH (6.8), and stirring conditions at room temperature were kept constant. The reaction was allowed to proceed for 5 hours (as shown in Fig. 2 (B)). An increase in the amount of nanocomposite from 2 g to 7 g resulted in a corresponding rise in dye degradation efficiency from 28% to 95%. The maximum degradation (95%) was achieved with 7 g of [Zn-Im]. Further increases in the nanocomposite amount beyond 7 g did not lead to any significant improvement in dye degradation. Therefore, 7 g of [Zn-Im] was identified as the optimal dosage for effective dye removal under the given conditions. To optimize the pH for dye degradation, experiments were conducted at five different pH levels: 2, 4, 6.8, 8, and 10. A fixed amount of nanocomposite (7 g/L) and dye concentration (10 mg/L) were maintained, with the reactions carried out at room temperature. As shown in Fig. 2 (C), the highest substrate conversion (up to 95%) was observed at pH 6.8. In comparison, pH values of 2, 4, 8, and 10 resulted in dye degradation efficiencies of 75%, 79%, 67%, and 75%, respectively. Therefore, pH 6.8 was identified as the optimal condition for maximum dye degradation. The influence of dye concentration on degradation efficiency was investigated by varying the concentration of Crystal Violet from 2 mg/L to 20 mg/L (specifically: 2, 4, 6, 8, 10, 12, 14, 18, and 20 mg/L), under optimized conditions, 7 g/L of nanocomposite [Zn-Im], pH 6.8, and vigorous stirring at room temperature. As shown in Fig. 2 (D), the percentage of dye degradation decreased from 100% to 56% with increasing dye concentration from 2 mg/L to 20 mg/L. This reduction in degradation efficiency is likely due to the limited available surface area of the nanocomposite. At lower concentrations, the dye molecules are efficiently adsorbed on the surface, whereas at higher concentrations, the surface becomes saturated, preventing further adsorption and degradation. Based on these results, a dye concentration of 10 mg/L was selected for subsequent experiments. After optimizing the reaction parameters, the following conditions were established for maximum dye degradation: Crystal Violet dye (10 mg/L), nanocomposite [Zn-Im] (7 g/L), pH 6.8, and room temperature. Several common ions, such as Cl⁻, SO₄²⁻, NO₃⁻, Ca²⁺, PO₄³⁻, SiO₃²⁻, and EDTA, are often present in wastewater and can interfere with dye removal during treatment processes [ 47 , 48 ]. Under these optimized conditions, the degradation efficiency of the nanocomposite [Zn-Im] was evaluated in the presence of various foreign ions. As shown in Table 1 , the presence of Cl⁻, SO₄²⁻, NO₃⁻, and Ca²⁺ ions led to a decrease in dye degradation efficiency with increasing ion concentration. This reduction in performance is likely due to the formation of an ionic layer on the nanocomposite surface, which hinders the adsorption of dye molecules and thereby limits their subsequent degradation. Table 1 Percentage removal of Crystal Violet dye in the presence of foreign ions (Cl⁻, SO₄²⁻, NO₃⁻, and Ca²⁺) using nanocomposite [Zn-Im] under optimized conditions. Concentration (mg/L) Cl − SO 4 2− NO 3 − Ca 2+ 0 95 95 95 95 50 89 91 90 68 100 82 87 83 57 200 78 83 77 50 300 73 80 72 41 400 69 76 66 33 In addition to the previously studied ions, other common ions such as PO₄³⁻, SiO₃²⁻, and EDTA are also present in water and can significantly influence dye degradation while contributing to water pollution. The dye removal efficiency of the synthesized nanocomposite [Zn-Im] was evaluated in the presence of these interfering species under the same optimized conditions. As shown in Fig. 3 , an increase in the concentration of these ions led to a noticeable decrease in dye degradation efficiency. This reduction is likely due to the competitive adsorption of these ions on the active sites of the nanocomposite, which inhibits the adsorption and subsequent degradation of the dye molecules. This nanocomposite [Zn-Im] exhibits superior performance compared to previously reported materials, as presented in Table S2. Adsorption behavior of crystal violet (CV) dye on nanocomposite [Zn-Im]: This study investigated the adsorption behavior of crystal violet (CV) dye on [Zn-Im] using various adsorption isotherm models at room temperature. Three primary models, Langmuir, Freundlich and D–R isotherms [ 49 , 50 ] were applied to experimental data collected at a fixed dye concentration (10 mg/L) and varying adsorbent doses (2.0 to 10.0 g/L) (As shown in Fig. 4 ). The all calculation and discussion are represented in supplementary information. The Langmuir model provided a maximum adsorption capacity (Q max) of 6.77 mg/g with a high correlation coefficient (R² = 0.98), while the Freundlich model yielded a slightly lesser fit (R² = 0.93), indicating a single layer chemisorption with intensity factor n = 10.35. A favorable adsorption process was further confirmed by the dimensionless Langmuir constant (R L) value of 0.05. However, the positive Gibbs free energy (ΔG° = +1.5638 kJ/mol) suggests the process is non-spontaneous under the studied conditions (as shown in Table S3). Additionally, the Dubinin-Radushkevich isotherm model was used to estimate the nature of adsorption. The calculated mean free energy (E = 0.1345 kJ/mol) supports that physisorption governs the interaction between CV dye and the [Zn-Im] adsorbent. The equations and additional details are provided in the supplementary information. Kinetic Evaluation of Crystal Violet Adsorption Using Four Reaction Models: The study investigates the adsorption kinetics of Crystal Violet (CV) dye onto a sorbent surface using four kinetic models: first-order, pseudo-first order, second-order, and pseudo-second order [ 51 – 53 ]. Each model was evaluated based on its ability to describe the adsorption behavior, utilizing integrated linear equations under specific initial conditions. Graphical representations Fig. 5 (A-D) were used to validate the fitting of each model through linear relationships such as ln Ct vs. time, ln(q₁ − qₜ) vs. time, 1/Ct vs. time, and t/qₜ vs. time. The coefficient of determination (R²) values obtained from linear regression analysis were used to assess the goodness of fit for each kinetic model. The linear equations for the first-order and pseudo-first-order models were y = − 0.0023x + 1.9287 and y = − 0.03407x – 1.89014, with corresponding R² values of 0.9803 and 0.9953, respectively. Similarly, the second-order and pseudo-second-order models followed the equations y = 3.5899x + 0.14508 and y = 1.71259x + 5.18465, with R² values of 0.9839 and 0.9969, respectively. Among all the models, the pseudo-second-order model exhibited the highest R² value (0.9969), closely followed by the pseudo-first-order model (0.9953), indicating that the adsorption process is best described by pseudo-second-order kinetics. This indicates a strong correlation between the experimental data and the pseudo-second order kinetics. Application of [Zn-Im] Nanocomposite for Dye Removal from Tap and Pond Water: The synthesized nanocomposite [Zn-Im] was utilized for the purification of tap water and pond water samples containing Crystal Violet dye. Tap water was collected from the Environmental Sciences Laboratory at Centurion University, while pond water was obtained from the water-lily pond located within the Centurion University of Technology and Management campus. For testing purposes, Crystal Violet dye was spiked into both water samples at a concentration of 10 mg/L. An adsorbent dosage of 7 g/L was applied, and the experiments were conducted at room temperature with an agitation speed of 520–540 rpm. The results indicated that this dosage of the nanocomposite could remove approximately 78% of CV dye from tap water and 65% from pond water. Table 2 summarizes the physicochemical characteristics of both water samples before and after treatment. Only minor changes in parameters such as pH, electrical conductivity (EC), dissolved oxygen (DO), and oxidation-reduction potential (ORP) were observed changes that are typical during adsorption processes. These findings demonstrate that the [Zn-Im] nanocomposite is effective for dye removal from various water sources while maintaining the baseline quality of the treated water. Table 2 Water quality of the tap and pond water (before and after treatment) Parameter Before treatment After treatment Before treatment After treatment Tap water Pond water pH 6.1 6.6 8.02 8.27 EC (µs /cm) 75 98 265 301 Fe tot (mg/L) 0.19 0.19 0.27 0.27 Cl − ( mg/L ) 172 172 121 121 D.O ( mg/L ) 5.31 4.79 7.6 6.4 TDS ( mg/L ) 47 49 176 179 ORP (mV) 142 160 67 81 Alkalinity( mg/L ) -- --- 0.69 0.69 Hardness ( mg/L ) 43 43 73 73 Salinity (PSU) 0.03 0.09 0.08 0.13 [CV] = 10 mg/L 78% removed 65% removed Reusability test: The reusability of the nanocomposite [Zn-Im] was evaluated and is presented in Figure S5. After each reaction cycle, the nanocomposite was recovered by filtration, washed thoroughly with ethanol, rinsed with deionized water, and then dried in an oven at 120°C for 24 hours to remove any adsorbed dye from the surface. As shown in Figure S5, the dye removal efficiency gradually decreased with each reuse cycle. In the first cycle, the removal efficiency was approximately 95%, which declined to 81%, 72%, and 60% in the second, third, and fourth cycles, respectively. This decline in performance may be attributed to the reduction in available active sites on the nanocomposite surface or the incomplete removal of dye residues, which could block or deactivate adsorption sites. Molecular Docking Study: To investigate various molecular interactions, a computational approach was employed. One of the most widely used applications of molecular docking is predicting how small molecules associate with target structures [ 54 , 55 ]. In this study, the interaction between nanocomposite [Zn-Im] and Crystal Violet was examined using molecular docking techniques. Prior to the docking analysis, both the receptor ([Zn-Im]) and the ligand (Crystal Violet) were prepared using Auto Dock Tools version 1.5.6 to remove any unfavorable contacts from their three-dimensional structures [ 56 ]. A grid box was configured with dimensions of 108, 108, 108 along the x, y, and z axes. The grid center was set at coordinates 12.92 (x), 13.13 (y), and 12.70 (z), with a grid spacing of 0.375 Å applied to the [Zn-Im] surface. The complete binding conformations from the molecular docking study of [Zn-Im] with Crystal Violet dye are summarized in Table S4. The binding affinities and interaction sites were visualized using Discovery Studio Visualizer software. The molecular docking study of [Zn-Im] MOF with Crystal Violet dye was performed to evaluate the efficiency of the exothermic adsorption process. A total of six hydrophobic interactions were identified between [Zn-Im] and Crystal Violet such as two π-π stacking interactions and four π-alkyl interactions. The π-π interactions, formed between the π-orbitals of [Zn-Im] and Crystal Violet, exhibited bond lengths of 4.00 Å and 5.11 Å. Additionally, four π-alkyl interactions were observed between the C atoms of Crystal Violet and the π-orbitals of [Zn-Im], with bond lengths of 5.02 Å, 3.62 Å, 4.38 Å, and 3.92 Å. The overall binding energy of the nanocomposite [Zn-Im]–Crystal Violet complex was calculated to be -2.48 kcal/mol, indicating favorable hydrophobic interactions. Figure 6 presents a schematic illustration of the molecular interaction. Evaluation of [Zn-Im] Tolerance in Bacillus and Burkholderia Strains: The tolerance of five bacterial strains such as Bacillus cereus (KT582541), Bacillus amyloliquefaciens (KT633845), and three Burkholderia cepacia strains (KT717633, KT717634, and KM030037) was evaluated in the presence of a zinc-based nanocomposite ([Zn-Im]). These bacteria, commonly found in soil, were exposed to increasing concentrations of [Zn-Im] to assess their survivability. Microbial viability was assessed using a qualitative growth index ("+++", "++", "+", and "−") across a concentration range of 200 to 2500 mg/L (as shown in Table 3 ). Table 3 Tolerance the five bacterial strains to different [Zn-Im] concentrations. [Zn-Im] (mg L − 1 ) Bacillus cereus (KT582541) Bacillus amyloliquefaciens (KT633845) Burkholderia cepacia (KT717633) Burkholderia cepacia (KT717634) Burkholderia cepacia (KM030037) 200 +++ ++ +++ ++ +++ 250 +++ ++ +++ ++ +++ 300 +++ ++ +++ ++ +++ 350 +++ ++ +++ ++ +++ 400 +++ + +++ - +++ 500 ++ + +++ - +++ 600 ++ + +++ - +++ 750 + + +++ - +++ 900 - - +++ - + 1200 - - +++ - + 1500 - - ++ - - 1800 - - +++ - - 2000 - - +++ - - 2300 - - ++ - - 2500 - - ++ - - +++ Maximum growth, ++ Moderate growth, + Less growth, − No growth Among the tested strains, Bacillus amyloliquefaciens and Burkholderia cepacia showed the highest tolerance, with sustained visible growth up to 750 mg/L. However, at 2500 mg/L, no observable growth was recorded. Notably, the Burkholderia cepacia strains (KT717633, KT717634, and KM030037) exhibited superior resistance, tolerating concentrations up to 1200 and even 2500 mg/L on Luria Agar (LA) medium (as shown in figure S6). These results suggest that bacterial tolerance to metal-organic nanocomposites is strain-specific and likely influenced by factors such as intrinsic detoxification mechanisms, cell wall composition, and metal efflux systems [ 57 – 59 ]. Burkholderia spp. is particularly known for their metal resistance, which is attributed to robust biofilm formation, membrane-associated efflux pumps, and high metabolic adaptability [ 60 ]. In contrast, although Bacillus spp. is widespread in the environment, they display moderate tolerance and can be inhibited at comparatively lower nanocomposite concentrations [ 61 ]. These findings underscore the potential of resistant bacterial strains, particularly Burkholderia for use in the bioremediation of wastewater and soil systems contaminated with metal-organic framework residues such as [Zn-Im]. Conclusion The present study successfully synthesized a zinc-imidazole ([Zn-Im]) metal-organic nanocomposite via a modified method and demonstrated its dual functionality as both an efficient adsorbent for the removal of Crystal Violet (CV) dye and an antibacterial agent against multiple bacterial strains. Comprehensive characterization using FT-IR, XRD, SEM-EDX, and elemental mapping confirmed the effective coordination between ZnO and 2-methylimidazole, resulting in a porous, crystalline, and well-defined nanocomposite with abundant active sites for adsorption. Under optimized conditions (10 mg/L CV, 7 g/L adsorbent, pH 6.8, room temperature), the nanocomposite achieved 95% dye removal within 5 h, with adsorption data fitting best to the Langmuir isotherm (R² = 0.98) and pseudo-second-order kinetic model (R² = 0.9969). Molecular docking studies revealed strong π-π stacking and π-alkyl hydrophobic interactions between the nanocomposite and CV molecules, supporting the experimentally observed high affinity. Antibacterial assessments showed broad-spectrum activity against Gram-positive (Bacillus cereus, Bacillus amyloliquefaciens) and Gram-negative (Burkholderia cepacia strains) bacteria, with tolerance levels varying by species Burkholderia spp. demonstrating higher resistance, possibly due to robust biofilm formation and metal efflux systems. Real-sample testing in tap and pond water spiked with CV demonstrated removal efficiencies of 78% and 65%, respectively, without significantly altering key water quality parameters. The [Zn-Im] nanocomposite retained 60% of its initial dye removal capacity after four consecutive reuse cycles, indicating good operational stability and reusability. Overall, the zinc-imidazole nanocomposite exhibits a synergistic combination of high dye adsorption capacity, antimicrobial efficacy, operational reusability, and applicability to real water systems. These properties make [Zn-Im] a promising multifunctional material for sustainable environmental remediation, capable of simultaneously addressing chemical contamination and microbial pollution in a single step. Future work may focus on scaling up synthesis, testing against a broader range of pollutants, and evaluating performance in continuous-flow systems for industrial wastewater applications. Declarations Acknowledgments The authors gratefully acknowledge the support provided by Centurion University of Technology and Management, Bhubaneswar, Odisha, India for facilitating the research infrastructure and laboratory resources necessary for this study. Special thanks are extended to the microbiology laboratory team for their help with antibacterial assays. Declaration of Competing Interest The authors declare that they have no competing financial or personal interests that could have influenced the research, authorship, or publication of this article. Authorship Contribution Statement Sibani Sahu: Data curation, formal analysis, investigation, methodology, validation, visualization, writing original draft, and writing review & editing. Soumyaranjan Senapati: Data curation for XRD, FT-IR, and SEM-EDX analyses. Madhusmita Pradhan: Antibacterial assays. Satya Narayan Sahu: Molecular docking studies. Kapilas Das: Data curation and formal analysis. 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Assess. 188 (11), 640 (2016). https://doi.org/10.1007/s10661-016-5638-5 Additional Declarations No competing interests reported. Supplementary Files Supplmentrydata.docx Cite Share Download PDF Status: Posted Version 1 posted You are reading this latest preprint version Research Square lets you share your work early, gain feedback from the community, and start making changes to your manuscript prior to peer review in a journal. As a division of Research Square Company, we’re committed to making research communication faster, fairer, and more useful. We do this by developing innovative software and high quality services for the global research community. Our growing team is made up of researchers and industry professionals working together to solve the most critical problems facing scientific publishing. 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1","display":"","copyAsset":false,"role":"figure","size":1592222,"visible":true,"origin":"","legend":"\u003cp\u003eSEM image and elemental mapping of ZnO nanocomposite [Zn-Im].\u003c/p\u003e","description":"","filename":"floatimage1.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-8169759/v1/ad654d848ea567423f7f5bdf.jpeg"},{"id":97668283,"identity":"421a5ffb-ddab-450e-8cee-4828bd1a80cf","added_by":"auto","created_at":"2025-12-08 09:25:12","extension":"jpeg","order_by":2,"title":"Figure 2","display":"","copyAsset":false,"role":"figure","size":534588,"visible":true,"origin":"","legend":"\u003cp\u003eCrystal Violet dye degradation using nanocomposite [Zn-Im] at room temperature: (A) Effect of reaction time, (B) Influence of nanocomposite [Zn-Im] dosage, (C) Effect of pH, (D) Impact of dye (Crystal Violet) concentration. (Reaction condition: dye (10 mg/L), nanocomposite (7g/L), pH (6.8), at Room Temperature.)\u003c/p\u003e","description":"","filename":"floatimage2.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-8169759/v1/7ca96f9dc486618e3d8d9745.jpeg"},{"id":97668318,"identity":"f2695255-f87a-4eab-94c5-c9fc882eb857","added_by":"auto","created_at":"2025-12-08 09:25:20","extension":"png","order_by":3,"title":"Figure 3","display":"","copyAsset":false,"role":"figure","size":30305,"visible":true,"origin":"","legend":"\u003cp\u003ePercentage removal of Crystal Violet dye in the presence of PO₄³⁻, SiO₃²⁻, and EDTA by [Zn-Im] under optimized conditions.\u003c/p\u003e","description":"","filename":"floatimage3.png","url":"https://assets-eu.researchsquare.com/files/rs-8169759/v1/28516c0f07e630e0a4ea9b0b.png"},{"id":97669449,"identity":"dfbaa172-4b60-46bb-8ea1-c282a767d105","added_by":"auto","created_at":"2025-12-08 09:28:00","extension":"jpeg","order_by":4,"title":"Figure 4","display":"","copyAsset":false,"role":"figure","size":464806,"visible":true,"origin":"","legend":"\u003cp\u003eIsotherms of\u003cstrong\u003e \u003c/strong\u003eZIF-8 towards Crystal Violet (CV) (A) Langmuir (B) Freundlich (C) D-R isotherms.\u003c/p\u003e","description":"","filename":"floatimage4.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-8169759/v1/d7f4d86e86a71705064ce61c.jpeg"},{"id":97466055,"identity":"2e2355ae-69c9-4cda-91d1-8abf0ca6e604","added_by":"auto","created_at":"2025-12-04 16:36:36","extension":"png","order_by":5,"title":"Figure 5","display":"","copyAsset":false,"role":"figure","size":38202,"visible":true,"origin":"","legend":"\u003cp\u003ePlot of kinetic evaluation of crystal violet desorption using four reaction models (A) ln Ct versus time (t) for the first-order kinetic model. (B) ln(q₁ − qₜ) versus time (t) for pseudo-first-order kinetics. (C) 1/Ct versus time (t) representing the second-order kinetic model for CV dye adsorption. (D) t/qₜ versus time (t) demonstrating the pseudo-second-order kinetic model.\u003c/p\u003e","description":"","filename":"5.png","url":"https://assets-eu.researchsquare.com/files/rs-8169759/v1/8c7b427b868cd8108fc1236c.png"},{"id":97466069,"identity":"ee7e340d-01ad-4745-84e6-9875aaf97e0a","added_by":"auto","created_at":"2025-12-04 16:36:36","extension":"png","order_by":6,"title":"Figure 6","display":"","copyAsset":false,"role":"figure","size":317564,"visible":true,"origin":"","legend":"\u003cp\u003e\u003cstrong\u003eThree-dimensional visualization of the interaction between \u003c/strong\u003e[Zn-Im] \u003cstrong\u003eand Crystal Violet reveals key non-covalent interactions. \u003c/strong\u003eThe pink and violet dashed lines represent π-π stacking and π-alkyl interactions, respectively, both of which are classified as hydrophobic interactions.\u003c/p\u003e","description":"","filename":"floatimage7.png","url":"https://assets-eu.researchsquare.com/files/rs-8169759/v1/5a66e6bfcd0eeb99c3c53c4f.png"},{"id":98430587,"identity":"78b9077b-6833-43ce-ad5c-1e4bb7df5d44","added_by":"auto","created_at":"2025-12-17 16:45:49","extension":"pdf","order_by":0,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":4133557,"visible":true,"origin":"","legend":"","description":"","filename":"manuscript.pdf","url":"https://assets-eu.researchsquare.com/files/rs-8169759/v1/4f0b864a-a2a3-475c-adf1-26347de3e8a0.pdf"},{"id":97668203,"identity":"9ddc6a10-25eb-4ac0-8df4-6d4b7864ea0f","added_by":"auto","created_at":"2025-12-08 09:25:02","extension":"docx","order_by":0,"title":"","display":"","copyAsset":false,"role":"supplement","size":611033,"visible":true,"origin":"","legend":"","description":"","filename":"Supplmentrydata.docx","url":"https://assets-eu.researchsquare.com/files/rs-8169759/v1/36c86f15e11f818de905042e.docx"}],"financialInterests":"No competing interests reported.","formattedTitle":"Zinc-Imidazole Metal-Organic Nanocomposite for High-Efficiency Crystal Violet Removal and Antibacterial Applications for Environmental Remediation","fulltext":[{"header":"Introduction","content":"\u003cp\u003eWater is an essential resource for sustaining life. The 2021 UNESCO World Water Development Report indicates that global freshwater consumption has increased nearly sixfold over the past hundred years. However, maintaining water quality has become a growing challenge as usage continues to rise [\u003cspan citationid=\"CR1\" class=\"CitationRef\"\u003e1\u003c/span\u003e]. Major contributors to water contamination include mining activities, oil spills, leakage of nuclear waste, industrial discharges, and extensive pesticide application, all of which leave harmful residues in aquatic environments [\u003cspan additionalcitationids=\"CR3\" citationid=\"CR2\" class=\"CitationRef\"\u003e2\u003c/span\u003e\u0026ndash;\u003cspan citationid=\"CR4\" class=\"CitationRef\"\u003e4\u003c/span\u003e]. Various human activities also introduce heavy metals, synthetic dyes, pharmaceuticals, radionuclides, and other toxic substances into water systems, causing both direct and indirect ecological damage [\u003cspan additionalcitationids=\"CR6\" citationid=\"CR5\" class=\"CitationRef\"\u003e5\u003c/span\u003e\u0026ndash;\u003cspan citationid=\"CR7\" class=\"CitationRef\"\u003e7\u003c/span\u003e]. It is estimated that around two million tons of untreated wastewater and other effluents enter natural water bodies each day [\u003cspan citationid=\"CR3\" class=\"CitationRef\"\u003e3\u003c/span\u003e]. The problem is particularly severe in developing countries, where wastewater treatment and sanitation infrastructure remain significantly underdeveloped [\u003cspan citationid=\"CR8\" class=\"CitationRef\"\u003e8\u003c/span\u003e, \u003cspan citationid=\"CR9\" class=\"CitationRef\"\u003e9\u003c/span\u003e].\u003c/p\u003e\u003cp\u003eOrganic dyes and pigments, extensively applied in the production of synthetic plastics, textiles, cosmetics, and pharmaceuticals, are among the most significant pollutants adversely affecting water quality. Many of these hazardous dyes exhibit high resistance to chemical, oxidative, and catalytic degradation processes, including treatment with oxidants and catalysts [\u003cspan citationid=\"CR4\" class=\"CitationRef\"\u003e4\u003c/span\u003e]. Their breakdown into less harmful or non-toxic forms is often challenging [\u003cspan additionalcitationids=\"CR11\" citationid=\"CR10\" class=\"CitationRef\"\u003e10\u003c/span\u003e\u0026ndash;\u003cspan citationid=\"CR12\" class=\"CitationRef\"\u003e12\u003c/span\u003e]. Furthermore, these dyes exert direct impacts on human life and health [\u003cspan citationid=\"CR13\" class=\"CitationRef\"\u003e13\u003c/span\u003e, \u003cspan citationid=\"CR14\" class=\"CitationRef\"\u003e14\u003c/span\u003e]. Crystal Violet (CV), a widely used dye in various industries-such as leather, detergent, fertilizer, and antifreeze manufacturing, is a prime example [\u003cspan citationid=\"CR2\" class=\"CitationRef\"\u003e2\u003c/span\u003e]. Classified as a triphenylmethane basic dye, CV has long been employed as a biological stain in both human and veterinary medicine. Beyond its staining applications, CV is also used as a disinfectant to inhibit fungal growth in poultry feed and serves as a genotoxic and bacteriostatic agent in certain healthcare formulations [\u003cspan citationid=\"CR5\" class=\"CitationRef\"\u003e5\u003c/span\u003e]. Despite its wide range of industrial and biomedical applications, Crystal Violet (CV) is recognized as a highly persistent dye that remains in the environment for extended periods, posing significant ecological and health risks. It is classified as acutely toxic and carcinogenic [\u003cspan citationid=\"CR7\" class=\"CitationRef\"\u003e7\u003c/span\u003e], and its chemical stability allows it to accumulate in aquatic systems, where it can severely impact aquatic organisms and cause serious ocular damage [\u003cspan citationid=\"CR15\" class=\"CitationRef\"\u003e15\u003c/span\u003e, \u003cspan citationid=\"CR16\" class=\"CitationRef\"\u003e16\u003c/span\u003e]. Additionally, CV acts as a potent carcinogen, mitotic toxin, and clastogen, making its removal from water systems an urgent priority. A variety of physical, chemical, and biological approaches have been explored for water decontamination, including coagulation, biological degradation, chemical precipitation, advanced oxidation, ozonation, sedimentation, adsorption, filtration, reverse osmosis, electrochemical oxidation, flocculation, and degasification [\u003cspan citationid=\"CR17\" class=\"CitationRef\"\u003e17\u003c/span\u003e, \u003cspan citationid=\"CR18\" class=\"CitationRef\"\u003e18\u003c/span\u003e]. However, many of these methods are hindered by high operational costs, the need for advanced equipment, and large space requirements [\u003cspan additionalcitationids=\"CR20\" citationid=\"CR19\" class=\"CitationRef\"\u003e19\u003c/span\u003e\u0026ndash;\u003cspan citationid=\"CR21\" class=\"CitationRef\"\u003e21\u003c/span\u003e]. Photodegradation has emerged as a promising alternative for pollutant removal, while adsorption has gained considerable attention due to its high efficiency, reusability, and cost-effectiveness compared to conventional treatment methods [\u003cspan citationid=\"CR22\" class=\"CitationRef\"\u003e22\u003c/span\u003e, \u003cspan citationid=\"CR17\" class=\"CitationRef\"\u003e17\u003c/span\u003e]. Nonetheless, designing adsorbent materials with high selectivity for dye removal from complex water systems remains a substantial challenge [\u003cspan citationid=\"CR10\" class=\"CitationRef\"\u003e10\u003c/span\u003e, \u003cspan citationid=\"CR23\" class=\"CitationRef\"\u003e23\u003c/span\u003e]. Over the past few decades, numerous studies have reported the application of carbon nanotubes, graphene, MXene, activated carbon, hydrotalcite, zero-valent iron, and other nanomaterials for water purification via catalytic and adsorption processes [\u003cspan citationid=\"CR24\" class=\"CitationRef\"\u003e24\u003c/span\u003e, \u003cspan citationid=\"CR25\" class=\"CitationRef\"\u003e25\u003c/span\u003e]. However, these materials often face limitations such as high production costs, significant energy requirements, complex synthesis procedures, poor stability, and limited selectivity [\u003cspan additionalcitationids=\"CR27\" citationid=\"CR26\" class=\"CitationRef\"\u003e26\u003c/span\u003e\u0026ndash;\u003cspan citationid=\"CR28\" class=\"CitationRef\"\u003e28\u003c/span\u003e]. Consequently, there remains a strong demand for the development of advanced and more efficient adsorbents for wastewater treatment [\u003cspan citationid=\"CR2\" class=\"CitationRef\"\u003e2\u003c/span\u003e, \u003cspan citationid=\"CR29\" class=\"CitationRef\"\u003e29\u003c/span\u003e, \u003cspan citationid=\"CR30\" class=\"CitationRef\"\u003e30\u003c/span\u003e]. In this regard, metal-organic frameworks (MOFs) have emerged as promising candidates for dye adsorption due to their well-defined crystalline architecture, exceptionally high porosity, tunable pore size, and extensive surface area [\u003cspan additionalcitationids=\"CR32\" citationid=\"CR31\" class=\"CitationRef\"\u003e31\u003c/span\u003e\u0026ndash;\u003cspan citationid=\"CR33\" class=\"CitationRef\"\u003e33\u003c/span\u003e]. These unique characteristics make MOFs highly suitable for effective and selective adsorption applications [\u003cspan citationid=\"CR34\" class=\"CitationRef\"\u003e34\u003c/span\u003e]. Moreover, beyond their adjustable porosity and targeted adsorption capabilities, certain MOFs also exhibit inherent antimicrobial activity primarily attributed to the controlled release of Zn\u0026sup2;⁺ ions [\u003cspan citationid=\"CR35\" class=\"CitationRef\"\u003e35\u003c/span\u003e]. These ions are known for their strong bactericidal properties and ability to inhibit the growth of a wide spectrum of microorganisms [PMC9581157].\u003c/p\u003e\u003cp\u003eBuilding on these combined properties, the present study explores the dual functionality of the [Zn-Im] nanocomposite by assessing its efficiency in removing Crystal Violet from aqueous systems and evaluating its antibacterial activity. This integrated evaluation is particularly significant for the development of multifunctional materials that can simultaneously purify contaminated water or soil and provide disinfection, thereby addressing two critical environmental challenges within a single treatment strategy.\u003c/p\u003e"},{"header":"Materials and Methodology","content":"\u003cdiv id=\"Sec3\" class=\"Section2\"\u003e\u003ch2\u003eChemicals and Reagents:\u003c/h2\u003e\u003cp\u003eEvery analytical grade reagent was used exactly as it was delivered. Deionized water was used for the preparation of all water-based solutions. Using C\u003csub\u003e5\u003c/sub\u003eN\u003csub\u003e3\u003c/sub\u003eH\u003csub\u003e30\u003c/sub\u003eCl (NICE), a synthetic CV stock solution was made at a concentration of 100 mg/L and substantially diluted to different concentrations whenever needed. 2-methyl imidazole, ZnO, Methanol and DMF were purchased from NICE Chemicals. NaOH, Conc. HCl, NaNO\u003csub\u003e3\u003c/sub\u003e, Na\u003csub\u003e2\u003c/sub\u003eHPO\u003csub\u003e4\u003c/sub\u003e, Na\u003csub\u003e2\u003c/sub\u003eEDTA.2H\u003csub\u003e2\u003c/sub\u003eO, Na\u003csub\u003e2\u003c/sub\u003eSiO\u003csub\u003e3\u003c/sub\u003e.9H\u003csub\u003e2\u003c/sub\u003eO CaCl\u003csub\u003e2\u003c/sub\u003e, NaCl, FeSO\u003csub\u003e4\u003c/sub\u003e.7H\u003csub\u003e2\u003c/sub\u003eO, NH\u003csub\u003e4\u003c/sub\u003eOH, NH\u003csub\u003e4\u003c/sub\u003eCl, MgCl\u003csub\u003e2\u003c/sub\u003e.6H\u003csub\u003e2\u003c/sub\u003eO, Eriochrome black T, and 2 methoxy methanol were purchased from SRL Chemicals. Sodium sulfate (Na\u003csub\u003e2\u003c/sub\u003eSO\u003csub\u003e4\u003c/sub\u003e) was purchased from Pallab Chemicals.\u003c/p\u003e\u003c/div\u003e\n\u003ch3\u003eApparatus and Instruments:\u003c/h3\u003e\n\u003cp\u003eAll glassware and apparatus were immersed in concentrated nitric acid (Merck) for 24 hours, thoroughly rinsed with double-distilled water followed by tap water, and subsequently dried in a hot-air oven. A high-precision electronic balance (Sartorius, BSA2245-CW) was used for all weighing procedures. LABQUEST (BOROSIL) micropipettes with disposable tips were employed for sample handling. A digital pH meter (Spancotek) was used to measure all pH values. Water quality parameters were determined using standard titrimetric methods. UV-vis absorbance measurements were conducted using a Cary 60 UV-Vis spectrophotometer (Agilent, USA), equipped with a 1 cm quartz cell. Fourier-transform infrared spectroscopy (FT-IR) was performed using a Thermo Scientific NICOLET iS5 instrument. Surface morphology and elemental composition were analyzed using a Zeiss Gemini 450 scanning electron microscope (SEM/EDX). Phase identification was carried out using a Bruker D8 ADVANCE X-ray diffract meter with Cu Kα radiation.\u003c/p\u003e\n\u003ch3\u003eSynthesis of nanocomposite [Zn-Im]:\u003c/h3\u003e\n\u003cp\u003eThe metal-organic nanocomposite [Zn-Im] was synthesized using a slightly modified procedure reported in the literature [\u003cspan citationid=\"CR36\" class=\"CitationRef\"\u003e36\u003c/span\u003e]. In a 50 mL round-bottom flask (RB flask), 2.00 g (0.0245 mol) of zinc oxide (ZnO) was dispersed in a minimal amount of N, N-dimethylformamide (DMF), followed by the addition of a methanolic solution containing 8.04 g (0.098 mol) of 2-methylimidazole. The resulting mixture was stirred at 850 rpm and heated to 60°C for 5 hours using a hot plate magnetic stirrer. After completion of the reaction, the mixture was filtered, washed with methanol, and dried in an oven at 80°C. Yield: 1.98 g (99%).\u003c/p\u003e\n\u003ch3\u003eAdsorption of Crystal Violet CV on Nanocomposite [Zn-Im]:\u003c/h3\u003e\n\u003cp\u003eThe adsorptive capacity of the nanocomposite [Zn-Im] was investigated for the removal of the hazardous organic dye Crystal Violet (CV) from an aqueous environment. A 10 mg/L CV solution was prepared and placed in a beaker, followed by the addition of 7 g/L of the nanocomposite [Zn-Im] at pH 6.8. The mixture was stirred on a magnetic stirrer at a speed of 530–550 rpm under room temperature conditions. Dye adsorption was monitored at one-hour intervals using a UV-vis spectrophotometer (as shown in Figure \u003cspan refid=\"MOESM1\" class=\"InternalRef\"\u003eS1\u003c/span\u003e). As adsorption progressed, the absorbance of the dye solution decreased, indicating dye uptake by the nanocomposite. The adsorption increased steadily over time, reaching a maximum after 5 hours, at which point approximately 95% of the dye was removed from the solution.\u003c/p\u003e\n\u003ch3\u003eAntimicrobial activity of nanocomposite [Zn-Im]:\u003c/h3\u003e\n\u003cp\u003eThe antibacterial potential of the synthesized [Zn-Im] nanocomposite was assessed using the agar well diffusion technique. In this method, 24-hour old bacterial cultures were evenly spread onto nutrient agar plates. Sterile wells, 6 mm in diameter, were then created using a cork borer. Each well was loaded with the nanocomposite at different concentrations. The plates were incubated at ambient temperature, and the diameter of the inhibition zones was measured in millimeters to evaluate antibacterial efficacy. Additionally, the [Zn-Im] complex was further tested for its in vitro antimicrobial activity using the broth dilution method against selected bacterial strains, including \u003cem\u003eBacillus cereus\u003c/em\u003e (KT582541), \u003cem\u003eBacillus amyloliquefaciens\u003c/em\u003e (KT633845), and three \u003cem\u003eBurkholderia cepacia\u003c/em\u003e strains (KT717633, KT717634, and KM030037).\u003c/p\u003e"},{"header":"Result and Discussion","content":"\u003ch2\u003eFT-IR Studies:\u003c/h2\u003e\u003cp\u003eThe FT-IR spectrum of the nanocomposite [Zn-Im] exhibits characteristic bands confirming the successful coordination between ZnO and the organic framework (As shown in figure S2). A broad band around 3625 cm⁻¹ corresponds to O–H stretching vibrations of adsorbed water on the ZnO surface [\u003cspan citationid=\"CR37\" class=\"CitationRef\"\u003e37\u003c/span\u003e]. Peaks at 2903 cm⁻¹ are attributed to C–H stretching from the methyl group in 2-methylimidazole [\u003cspan citationid=\"CR38\" class=\"CitationRef\"\u003e38\u003c/span\u003e]. Additionally, strong absorption bands at 1671 and 1654 cm⁻¹ indicate C = N and C = C stretching within the imidazole ring, suggesting coordination through nitrogen [\u003cspan citationid=\"CR39\" class=\"CitationRef\"\u003e39\u003c/span\u003e]. Notably, the bands at 693 and 667 cm⁻¹ are attributed to Zn-N stretching, confirming metal-ligand coordination [\u003cspan citationid=\"CR40\" class=\"CitationRef\"\u003e40\u003c/span\u003e]. These observations collectively confirm the formation of a [Zn-Im] nanocomposite.\u003c/p\u003e\u003ch3\u003eXRD analysis\u003c/h3\u003e\u003cp\u003eThe structural characteristics of the zinc nano-composite [Zn-Im] were analyzed using XRD patterns (illustrated in Figure S3). The spectra display peaks at 2θ angles of 31.7876, 34.4512, 36.2741, and 47.5563, which correspond to the (101) crystallographic plane of the ZnO nanocomposite. Additionally, peaks observed at 7.3598, 10.3981, 12.7477, 14.7327, 16.4544, 18.0647, 56.5901, 62.8794, 67.9432, along with several smaller peaks, align with other crystallographic planes of ZnO, such as (100), (002), (102), and (201) [\u003cspan citationid=\"CR41\" class=\"CitationRef\"\u003e41\u003c/span\u003e, \u003cspan citationid=\"CR42\" class=\"CitationRef\"\u003e42\u003c/span\u003e]. The XRD pattern was compared to the reference pattern (JCPDS No. 36-1451), which is characteristic of wurtzite-structured ZnO.\u003c/p\u003e\u003ch2\u003eSEM-EDX Analysis:\u003c/h2\u003e\u003cp\u003eThe surface morphology and elemental composition of the nanocomposite [Zn-Im] were examined using SEM/EDX analysis. The SEM image reveals the presence of white patches on the ZnO surface, suggesting successful surface modification. Elemental mapping further confirms the presence of carbon, oxygen, nitrogen, and zinc, as shown in Fig.\u0026nbsp;\u003cspan refid=\"Fig1\" class=\"InternalRef\"\u003e1\u003c/span\u003e. Additionally, energy-dispersive X-ray spectroscopy (EDX) was employed to quantify the elemental composition of the nanocomposite, as presented in Figure S4. The elemental percentages are summarized in Table \u003cspan refid=\"MOESM1\" class=\"InternalRef\"\u003eS1\u003c/span\u003e, indicating C (48.4%), N (22.7%), O (10.3%), and Zn (18.6%). These results confirm the successful immobilization of 2-methylimidazole on the ZnO surface, leading to the formation of the [Zn-Im] nanocomposite.\u003c/p\u003e\u003ch2\u003eCrystal Violet dye degradation:\u003c/h2\u003e\u003cp\u003eThe metal-organic nanocomposite [Zn-Im] exhibits strong dye adsorption capabilities and facilitates the degradation of dyes, making it a promising material for wastewater treatment applications. It has the potential to accelerate dye degradation through catalytic or adsorption-assisted mechanisms [\u003cspan additionalcitationids=\"CR44 CR45\" citationid=\"CR43\" class=\"CitationRef\"\u003e43\u003c/span\u003e–\u003cspan citationid=\"CR46\" class=\"CitationRef\"\u003e46\u003c/span\u003e]. In this study, the synthesized [Zn-Im] nanocomposite was employed for the degradation of Crystal Violet dye, a common pollutant found in industrial wastewater. To achieve maximum degradation efficiency, several reaction parameters were systematically optimized, including reaction time, nanocomposite dosage, pH variation, initial dye concentration, and the presence of foreign ions.\u003c/p\u003e\u003cp\u003eTo evaluate the time required for the degradation of Crystal Violet dye, a 10 mg/L dye solution was treated with the nanocomposite [Zn-Im] (7 g/L) at pH 6.8 under vigorous stirring at room temperature. Figure\u0026nbsp;\u003cspan refid=\"Fig2\" class=\"InternalRef\"\u003e2\u003c/span\u003e(A) illustrates the degradation profile over time. The percentage of dye degradation increased steadily from 0% at the start to approximately 95% within 5 hours. Beyond this time, no significant increase (only 0.3%) in degradation efficiency was observed. Therefore, a reaction time of 5 hours was considered optimal for maximum dye degradation under the given conditions.\u003c/p\u003e\u003cp\u003eThe effect of varying dosages of the nanocomposite [Zn-Im] on the degradation of Crystal Violet dye was investigated using nine different amounts: 2 g, 3 g, 4 g, 5 g, 6 g, 7 g, 8 g, 9 g, and 10 g. Throughout the study, the dye concentration (10 mg/L), pH (6.8), and stirring conditions at room temperature were kept constant. The reaction was allowed to proceed for 5 hours (as shown in Fig.\u0026nbsp;\u003cspan refid=\"Fig2\" class=\"InternalRef\"\u003e2\u003c/span\u003e(B)). An increase in the amount of nanocomposite from 2 g to 7 g resulted in a corresponding rise in dye degradation efficiency from 28% to 95%. The maximum degradation (95%) was achieved with 7 g of [Zn-Im]. Further increases in the nanocomposite amount beyond 7 g did not lead to any significant improvement in dye degradation. Therefore, 7 g of [Zn-Im] was identified as the optimal dosage for effective dye removal under the given conditions.\u003c/p\u003e\u003cp\u003eTo optimize the pH for dye degradation, experiments were conducted at five different pH levels: 2, 4, 6.8, 8, and 10. A fixed amount of nanocomposite (7 g/L) and dye concentration (10 mg/L) were maintained, with the reactions carried out at room temperature. As shown in Fig.\u0026nbsp;\u003cspan refid=\"Fig2\" class=\"InternalRef\"\u003e2\u003c/span\u003e(C), the highest substrate conversion (up to 95%) was observed at pH 6.8. In comparison, pH values of 2, 4, 8, and 10 resulted in dye degradation efficiencies of 75%, 79%, 67%, and 75%, respectively. Therefore, pH 6.8 was identified as the optimal condition for maximum dye degradation.\u003c/p\u003e\u003cp\u003eThe influence of dye concentration on degradation efficiency was investigated by varying the concentration of Crystal Violet from 2 mg/L to 20 mg/L (specifically: 2, 4, 6, 8, 10, 12, 14, 18, and 20 mg/L), under optimized conditions, 7 g/L of nanocomposite [Zn-Im], pH 6.8, and vigorous stirring at room temperature. As shown in Fig.\u0026nbsp;\u003cspan refid=\"Fig2\" class=\"InternalRef\"\u003e2\u003c/span\u003e(D), the percentage of dye degradation decreased from 100% to 56% with increasing dye concentration from 2 mg/L to 20 mg/L. This reduction in degradation efficiency is likely due to the limited available surface area of the nanocomposite. At lower concentrations, the dye molecules are efficiently adsorbed on the surface, whereas at higher concentrations, the surface becomes saturated, preventing further adsorption and degradation. Based on these results, a dye concentration of 10 mg/L was selected for subsequent experiments.\u003c/p\u003e\u003cp\u003eAfter optimizing the reaction parameters, the following conditions were established for maximum dye degradation: Crystal Violet dye (10 mg/L), nanocomposite [Zn-Im] (7 g/L), pH 6.8, and room temperature. Several common ions, such as Cl⁻, SO₄²⁻, NO₃⁻, Ca²⁺, PO₄³⁻, SiO₃²⁻, and EDTA, are often present in wastewater and can interfere with dye removal during treatment processes [\u003cspan citationid=\"CR47\" class=\"CitationRef\"\u003e47\u003c/span\u003e, \u003cspan citationid=\"CR48\" class=\"CitationRef\"\u003e48\u003c/span\u003e]. Under these optimized conditions, the degradation efficiency of the nanocomposite [Zn-Im] was evaluated in the presence of various foreign ions. As shown in Table\u0026nbsp;\u003cspan refid=\"Tab1\" class=\"InternalRef\"\u003e1\u003c/span\u003e, the presence of Cl⁻, SO₄²⁻, NO₃⁻, and Ca²⁺ ions led to a decrease in dye degradation efficiency with increasing ion concentration. This reduction in performance is likely due to the formation of an ionic layer on the nanocomposite surface, which hinders the adsorption of dye molecules and thereby limits their subsequent degradation.\u003c/p\u003e\u003cdiv class=\"gridtable\"\u003e\u003cdiv align=\"left\" class=\"colspec\" colname=\"c1\" colnum=\"1\"\u003e\u003c/div\u003e\u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c2\" colnum=\"2\"\u003e\u003c/div\u003e\u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c3\" colnum=\"3\"\u003e\u003c/div\u003e\u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c4\" colnum=\"4\"\u003e\u003c/div\u003e\u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c5\" colnum=\"5\"\u003e\u003c/div\u003e\u003ctable float=\"Yes\" id=\"Tab1\" border=\"1\"\u003e\u003ccaption language=\"En\"\u003e\u003cdiv class=\"CaptionNumber\"\u003eTable 1\u003c/div\u003e\u003cdiv class=\"CaptionContent\"\u003e\u003cp\u003ePercentage removal of Crystal Violet dye in the presence of foreign ions (Cl⁻, SO₄²⁻, NO₃⁻, and Ca²⁺) using nanocomposite [Zn-Im] under optimized conditions.\u003c/p\u003e\u003c/div\u003e\u003c/caption\u003e\u003ccolgroup cols=\"5\"\u003e\u003c/colgroup\u003e\u003cthead\u003e\u003ctr\u003e\u003cth align=\"left\" colname=\"c1\"\u003e\u003cp\u003eConcentration (mg/L)\u003c/p\u003e\u003c/th\u003e\u003cth align=\"left\" colname=\"c2\"\u003e\u003cp\u003eCl\u003csup\u003e−\u003c/sup\u003e\u003c/p\u003e\u003c/th\u003e\u003cth align=\"left\" colname=\"c3\"\u003e\u003cp\u003eSO\u003csub\u003e4\u003c/sub\u003e\u003csup\u003e2−\u003c/sup\u003e\u003c/p\u003e\u003c/th\u003e\u003cth align=\"left\" colname=\"c4\"\u003e\u003cp\u003eNO\u003csub\u003e3\u003c/sub\u003e\u003csup\u003e−\u003c/sup\u003e\u003c/p\u003e\u003c/th\u003e\u003cth align=\"left\" colname=\"c5\"\u003e\u003cp\u003eCa\u003csup\u003e2+\u003c/sup\u003e\u003c/p\u003e\u003c/th\u003e\u003c/tr\u003e\u003c/thead\u003e\u003ctbody\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003e0\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e\u003cp\u003e95\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e\u003cp\u003e95\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e\u003cp\u003e95\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e\u003cp\u003e95\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003e50\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e\u003cp\u003e89\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e\u003cp\u003e91\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e\u003cp\u003e90\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e\u003cp\u003e68\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003e100\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e\u003cp\u003e82\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e\u003cp\u003e87\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e\u003cp\u003e83\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e\u003cp\u003e57\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003e200\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e\u003cp\u003e78\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e\u003cp\u003e83\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e\u003cp\u003e77\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e\u003cp\u003e50\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003e300\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e\u003cp\u003e73\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e\u003cp\u003e80\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e\u003cp\u003e72\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e\u003cp\u003e41\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003e400\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e\u003cp\u003e69\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e\u003cp\u003e76\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e\u003cp\u003e66\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e\u003cp\u003e33\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003c/tbody\u003e\u003c/table\u003e\u003c/div\u003e\u003cp\u003e\u003c/p\u003e\u003cp\u003eIn addition to the previously studied ions, other common ions such as PO₄³⁻, SiO₃²⁻, and EDTA are also present in water and can significantly influence dye degradation while contributing to water pollution. The dye removal efficiency of the synthesized nanocomposite [Zn-Im] was evaluated in the presence of these interfering species under the same optimized conditions. As shown in Fig.\u0026nbsp;\u003cspan refid=\"Fig3\" class=\"InternalRef\"\u003e3\u003c/span\u003e, an increase in the concentration of these ions led to a noticeable decrease in dye degradation efficiency. This reduction is likely due to the competitive adsorption of these ions on the active sites of the nanocomposite, which inhibits the adsorption and subsequent degradation of the dye molecules. This nanocomposite [Zn-Im] exhibits superior performance compared to previously reported materials, as presented in Table S2.\u003c/p\u003e\u003ch2\u003eAdsorption behavior of crystal violet (CV) dye on nanocomposite [Zn-Im]:\u003c/h2\u003e\u003cp\u003eThis study investigated the adsorption behavior of crystal violet (CV) dye on [Zn-Im] using various adsorption isotherm models at room temperature. Three primary models, Langmuir, Freundlich and D–R isotherms [\u003cspan citationid=\"CR49\" class=\"CitationRef\"\u003e49\u003c/span\u003e, \u003cspan citationid=\"CR50\" class=\"CitationRef\"\u003e50\u003c/span\u003e] were applied to experimental data collected at a fixed dye concentration (10 mg/L) and varying adsorbent doses (2.0 to 10.0 g/L) (As shown in Fig.\u0026nbsp;\u003cspan refid=\"Fig4\" class=\"InternalRef\"\u003e4\u003c/span\u003e). The all calculation and discussion are represented in supplementary information. The Langmuir model provided a maximum adsorption capacity (Q \u0026lt; sub \u0026gt; max\u0026lt;/sub\u0026gt;) of 6.77 mg/g with a high correlation coefficient (R² = 0.98), while the Freundlich model yielded a slightly lesser fit (R² = 0.93), indicating a single layer chemisorption with intensity factor n = 10.35. A favorable adsorption process was further confirmed by the dimensionless Langmuir constant (R \u0026lt; sub \u0026gt; L\u0026lt;/sub\u0026gt;) value of 0.05. However, the positive Gibbs free energy (ΔG° = +1.5638 kJ/mol) suggests the process is non-spontaneous under the studied conditions (as shown in Table S3). Additionally, the Dubinin-Radushkevich isotherm model was used to estimate the nature of adsorption. The calculated mean free energy (E = 0.1345 kJ/mol) supports that physisorption governs the interaction between CV dye and the [Zn-Im] adsorbent. The equations and additional details are provided in the supplementary information.\u003c/p\u003e\u003ch2\u003eKinetic Evaluation of Crystal Violet Adsorption Using Four Reaction Models:\u003c/h2\u003e\u003cp\u003eThe study investigates the adsorption kinetics of Crystal Violet (CV) dye onto a sorbent surface using four kinetic models: first-order, pseudo-first order, second-order, and pseudo-second order [\u003cspan additionalcitationids=\"CR52\" citationid=\"CR51\" class=\"CitationRef\"\u003e51\u003c/span\u003e–\u003cspan citationid=\"CR53\" class=\"CitationRef\"\u003e53\u003c/span\u003e]. Each model was evaluated based on its ability to describe the adsorption behavior, utilizing integrated linear equations under specific initial conditions. Graphical representations Fig.\u0026nbsp;\u003cspan refid=\"Fig5\" class=\"InternalRef\"\u003e5\u003c/span\u003e (A-D) were used to validate the fitting of each model through linear relationships such as ln Ct vs. time, ln(q₁ − qₜ) vs. time, 1/Ct vs. time, and t/qₜ vs. time. The coefficient of determination (R²) values obtained from linear regression analysis were used to assess the goodness of fit for each kinetic model. The linear equations for the first-order and pseudo-first-order models were y = − 0.0023x + 1.9287 and y = − 0.03407x – 1.89014, with corresponding R² values of 0.9803 and 0.9953, respectively. Similarly, the second-order and pseudo-second-order models followed the equations y = 3.5899x + 0.14508 and y = 1.71259x + 5.18465, with R² values of 0.9839 and 0.9969, respectively. Among all the models, the pseudo-second-order model exhibited the highest R² value (0.9969), closely followed by the pseudo-first-order model (0.9953), indicating that the adsorption process is best described by pseudo-second-order kinetics. This indicates a strong correlation between the experimental data and the pseudo-second order kinetics.\u003c/p\u003e\u003ch2\u003eApplication of [Zn-Im] Nanocomposite for Dye Removal from Tap and Pond Water:\u003c/h2\u003e\u003cp\u003eThe synthesized nanocomposite [Zn-Im] was utilized for the purification of tap water and pond water samples containing Crystal Violet dye. Tap water was collected from the Environmental Sciences Laboratory at Centurion University, while pond water was obtained from the water-lily pond located within the Centurion University of Technology and Management campus. For testing purposes, Crystal Violet dye was spiked into both water samples at a concentration of 10 mg/L. An adsorbent dosage of 7 g/L was applied, and the experiments were conducted at room temperature with an agitation speed of 520–540 rpm. The results indicated that this dosage of the nanocomposite could remove approximately 78% of CV dye from tap water and 65% from pond water. Table\u0026nbsp;\u003cspan refid=\"Tab2\" class=\"InternalRef\"\u003e2\u003c/span\u003e summarizes the physicochemical characteristics of both water samples before and after treatment. Only minor changes in parameters such as pH, electrical conductivity (EC), dissolved oxygen (DO), and oxidation-reduction potential (ORP) were observed changes that are typical during adsorption processes. These findings demonstrate that the [Zn-Im] nanocomposite is effective for dye removal from various water sources while maintaining the baseline quality of the treated water.\u003c/p\u003e\u003cdiv class=\"gridtable\"\u003e\u003cdiv align=\"left\" class=\"colspec\" colname=\"c1\" colnum=\"1\"\u003e\u003c/div\u003e\u003cdiv align=\"left\" class=\"colspec\" colname=\"c2\" colnum=\"2\"\u003e\u003c/div\u003e\u003cdiv align=\"left\" class=\"colspec\" colname=\"c3\" colnum=\"3\"\u003e\u003c/div\u003e\u003cdiv align=\"left\" class=\"colspec\" colname=\"c4\" colnum=\"4\"\u003e\u003c/div\u003e\u003cdiv align=\"left\" class=\"colspec\" colname=\"c5\" colnum=\"5\"\u003e\u003c/div\u003e\u003ctable float=\"Yes\" id=\"Tab2\" border=\"1\"\u003e\u003ccaption language=\"En\"\u003e\u003cdiv class=\"CaptionNumber\"\u003eTable 2\u003c/div\u003e\u003cdiv class=\"CaptionContent\"\u003e\u003cp\u003eWater quality of the tap and pond water (before and after treatment)\u003c/p\u003e\u003c/div\u003e\u003c/caption\u003e\u003ccolgroup cols=\"5\"\u003e\u003c/colgroup\u003e\u003cthead\u003e\u003ctr\u003e\u003cth align=\"left\" colname=\"c1\"\u003e\u003cp\u003eParameter\u003c/p\u003e\u003c/th\u003e\u003cth align=\"left\" colname=\"c2\"\u003e\u003cp\u003eBefore treatment\u003c/p\u003e\u003c/th\u003e\u003cth align=\"left\" colname=\"c3\"\u003e\u003cp\u003eAfter treatment\u003c/p\u003e\u003c/th\u003e\u003cth align=\"left\" colname=\"c4\"\u003e\u003cp\u003eBefore treatment\u003c/p\u003e\u003c/th\u003e\u003cth align=\"left\" colname=\"c5\"\u003e\u003cp\u003eAfter treatment\u003c/p\u003e\u003c/th\u003e\u003c/tr\u003e\u003c/thead\u003e\u003ctbody\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u0026nbsp;\u003c/td\u003e\u003ctd align=\"left\" colspan=\"2\" nameend=\"c3\" namest=\"c2\"\u003e\u003cp\u003eTap water\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colspan=\"2\" nameend=\"c5\" namest=\"c4\"\u003e\u003cp\u003ePond water\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003epH\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c2\"\u003e\u003cp\u003e6.1\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c3\"\u003e\u003cp\u003e6.6\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c4\"\u003e\u003cp\u003e8.02\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c5\"\u003e\u003cp\u003e8.27\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003eEC (µs /cm)\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c2\"\u003e\u003cp\u003e75\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c3\"\u003e\u003cp\u003e98\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c4\"\u003e\u003cp\u003e265\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c5\"\u003e\u003cp\u003e301\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003eFe\u003csub\u003etot\u003c/sub\u003e (mg/L)\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c2\"\u003e\u003cp\u003e0.19\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c3\"\u003e\u003cp\u003e0.19\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c4\"\u003e\u003cp\u003e0.27\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c5\"\u003e\u003cp\u003e0.27\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003eCl\u003csup\u003e−\u003c/sup\u003e( mg/L )\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c2\"\u003e\u003cp\u003e172\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c3\"\u003e\u003cp\u003e172\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c4\"\u003e\u003cp\u003e121\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c5\"\u003e\u003cp\u003e121\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003eD.O ( mg/L )\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c2\"\u003e\u003cp\u003e5.31\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c3\"\u003e\u003cp\u003e4.79\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c4\"\u003e\u003cp\u003e7.6\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c5\"\u003e\u003cp\u003e6.4\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003eTDS ( mg/L )\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c2\"\u003e\u003cp\u003e47\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c3\"\u003e\u003cp\u003e49\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c4\"\u003e\u003cp\u003e176\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c5\"\u003e\u003cp\u003e179\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003eORP (mV)\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c2\"\u003e\u003cp\u003e142\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c3\"\u003e\u003cp\u003e160\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c4\"\u003e\u003cp\u003e67\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c5\"\u003e\u003cp\u003e81\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003eAlkalinity( mg/L )\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c2\"\u003e\u003cp\u003e--\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c3\"\u003e\u003cp\u003e---\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c4\"\u003e\u003cp\u003e0.69\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c5\"\u003e\u003cp\u003e0.69\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003eHardness ( mg/L )\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c2\"\u003e\u003cp\u003e43\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c3\"\u003e\u003cp\u003e43\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c4\"\u003e\u003cp\u003e73\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c5\"\u003e\u003cp\u003e73\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003eSalinity (PSU)\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c2\"\u003e\u003cp\u003e0.03\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c3\"\u003e\u003cp\u003e0.09\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c4\"\u003e\u003cp\u003e0.08\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c5\"\u003e\u003cp\u003e0.13\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003e[CV] = 10 mg/L\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colspan=\"2\" nameend=\"c3\" namest=\"c2\"\u003e\u003cp\u003e78% removed\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colspan=\"2\" nameend=\"c5\" namest=\"c4\"\u003e\u003cp\u003e65% removed\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003c/tbody\u003e\u003c/table\u003e\u003c/div\u003e\u003cp\u003e\u003c/p\u003e\u003ch2\u003eReusability test:\u003c/h2\u003e\u003cp\u003eThe reusability of the nanocomposite [Zn-Im] was evaluated and is presented in Figure S5. After each reaction cycle, the nanocomposite was recovered by filtration, washed thoroughly with ethanol, rinsed with deionized water, and then dried in an oven at 120°C for 24 hours to remove any adsorbed dye from the surface. As shown in Figure S5, the dye removal efficiency gradually decreased with each reuse cycle. In the first cycle, the removal efficiency was approximately 95%, which declined to 81%, 72%, and 60% in the second, third, and fourth cycles, respectively. This decline in performance may be attributed to the reduction in available active sites on the nanocomposite surface or the incomplete removal of dye residues, which could block or deactivate adsorption sites.\u003c/p\u003e\u003ch2\u003eMolecular Docking Study:\u003c/h2\u003e\u003cp\u003eTo investigate various molecular interactions, a computational approach was employed. One of the most widely used applications of molecular docking is predicting how small molecules associate with target structures [\u003cspan citationid=\"CR54\" class=\"CitationRef\"\u003e54\u003c/span\u003e, \u003cspan citationid=\"CR55\" class=\"CitationRef\"\u003e55\u003c/span\u003e]. In this study, the interaction between nanocomposite [Zn-Im] and Crystal Violet was examined using molecular docking techniques. Prior to the docking analysis, both the receptor ([Zn-Im]) and the ligand (Crystal Violet) were prepared using Auto Dock Tools version 1.5.6 to remove any unfavorable contacts from their three-dimensional structures [\u003cspan citationid=\"CR56\" class=\"CitationRef\"\u003e56\u003c/span\u003e]. A grid box was configured with dimensions of 108, 108, 108 along the x, y, and z axes. The grid center was set at coordinates 12.92 (x), 13.13 (y), and 12.70 (z), with a grid spacing of 0.375 Å applied to the [Zn-Im] surface. The complete binding conformations from the molecular docking study of [Zn-Im] with Crystal Violet dye are summarized in Table S4. The binding affinities and interaction sites were visualized using Discovery Studio Visualizer software. The molecular docking study of [Zn-Im] MOF with Crystal Violet dye was performed to evaluate the efficiency of the exothermic adsorption process. A total of six hydrophobic interactions were identified between [Zn-Im] and Crystal Violet such as two π-π stacking interactions and four π-alkyl interactions. The π-π interactions, formed between the π-orbitals of [Zn-Im] and Crystal Violet, exhibited bond lengths of 4.00 Å and 5.11 Å. Additionally, four π-alkyl interactions were observed between the C atoms of Crystal Violet and the π-orbitals of [Zn-Im], with bond lengths of 5.02 Å, 3.62 Å, 4.38 Å, and 3.92 Å. The overall binding energy of the nanocomposite [Zn-Im]–Crystal Violet complex was calculated to be -2.48 kcal/mol, indicating favorable hydrophobic interactions. Figure\u0026nbsp;\u003cspan refid=\"Fig6\" class=\"InternalRef\"\u003e6\u003c/span\u003e presents a schematic illustration of the molecular interaction.\u003c/p\u003e\u003ch2\u003eEvaluation of [Zn-Im] Tolerance in Bacillus and Burkholderia Strains:\u003c/h2\u003e\u003cp\u003eThe tolerance of five bacterial strains such as \u003cem\u003eBacillus cereus\u003c/em\u003e (KT582541), \u003cem\u003eBacillus amyloliquefaciens\u003c/em\u003e (KT633845), and three \u003cem\u003eBurkholderia cepacia\u003c/em\u003e strains (KT717633, KT717634, and KM030037) was evaluated in the presence of a zinc-based nanocomposite ([Zn-Im]). These bacteria, commonly found in soil, were exposed to increasing concentrations of [Zn-Im] to assess their survivability. Microbial viability was assessed using a qualitative growth index (\"+++\", \"++\", \"+\", and \"−\") across a concentration range of 200 to 2500 mg/L (as shown in Table\u0026nbsp;\u003cspan refid=\"Tab3\" class=\"InternalRef\"\u003e3\u003c/span\u003e).\u003c/p\u003e\u003cp\u003e\u003c/p\u003e\u003cdiv class=\"gridtable\"\u003e\u003cdiv align=\"left\" class=\"colspec\" colname=\"c1\" colnum=\"1\"\u003e\u003c/div\u003e\u003cdiv align=\"left\" class=\"colspec\" colname=\"c2\" colnum=\"2\"\u003e\u003c/div\u003e\u003cdiv align=\"left\" class=\"colspec\" colname=\"c3\" colnum=\"3\"\u003e\u003c/div\u003e\u003cdiv align=\"left\" class=\"colspec\" colname=\"c4\" colnum=\"4\"\u003e\u003c/div\u003e\u003cdiv align=\"left\" class=\"colspec\" colname=\"c5\" colnum=\"5\"\u003e\u003c/div\u003e\u003cdiv align=\"left\" class=\"colspec\" colname=\"c6\" colnum=\"6\"\u003e\u003c/div\u003e\u003ctable float=\"Yes\" id=\"Tab3\" border=\"1\"\u003e\u003ccaption language=\"En\"\u003e\u003cdiv class=\"CaptionNumber\"\u003eTable 3\u003c/div\u003e\u003cdiv class=\"CaptionContent\"\u003e\u003cp\u003eTolerance the five bacterial strains to different [Zn-Im] concentrations.\u003c/p\u003e\u003c/div\u003e\u003c/caption\u003e\u003ccolgroup cols=\"6\"\u003e\u003c/colgroup\u003e\u003cthead\u003e\u003ctr\u003e\u003cth align=\"left\" colname=\"c1\"\u003e\u003cp\u003e[Zn-Im]\u003c/p\u003e\u003cp\u003e(mg L\u003csup\u003e− 1\u003c/sup\u003e)\u003c/p\u003e\u003c/th\u003e\u003cth align=\"left\" colname=\"c2\"\u003e\u003cp\u003e\u003cem\u003eBacillus cereus\u003c/em\u003e (KT582541)\u003c/p\u003e\u003c/th\u003e\u003cth align=\"left\" colname=\"c3\"\u003e\u003cp\u003e\u003cem\u003eBacillus amyloliquefaciens\u003c/em\u003e (KT633845)\u003c/p\u003e\u003c/th\u003e\u003cth align=\"left\" colname=\"c4\"\u003e\u003cp\u003e\u003cem\u003eBurkholderia cepacia\u003c/em\u003e (KT717633)\u003c/p\u003e\u003c/th\u003e\u003cth align=\"left\" colname=\"c5\"\u003e\u003cp\u003e\u003cem\u003eBurkholderia cepacia\u003c/em\u003e (KT717634)\u003c/p\u003e\u003c/th\u003e\u003cth align=\"left\" colname=\"c6\"\u003e\u003cp\u003e\u003cem\u003eBurkholderia cepacia\u003c/em\u003e (KM030037)\u003c/p\u003e\u003c/th\u003e\u003c/tr\u003e\u003c/thead\u003e\u003ctbody\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003e200\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c2\"\u003e\u003cp\u003e+++\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c3\"\u003e\u003cp\u003e++\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c4\"\u003e\u003cp\u003e+++\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c5\"\u003e\u003cp\u003e++\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c6\"\u003e\u003cp\u003e+++\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003e250\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c2\"\u003e\u003cp\u003e+++\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c3\"\u003e\u003cp\u003e++\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c4\"\u003e\u003cp\u003e+++\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c5\"\u003e\u003cp\u003e++\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c6\"\u003e\u003cp\u003e+++\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003e300\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c2\"\u003e\u003cp\u003e+++\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c3\"\u003e\u003cp\u003e++\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c4\"\u003e\u003cp\u003e+++\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c5\"\u003e\u003cp\u003e++\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c6\"\u003e\u003cp\u003e+++\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003e350\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c2\"\u003e\u003cp\u003e+++\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c3\"\u003e\u003cp\u003e++\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c4\"\u003e\u003cp\u003e+++\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c5\"\u003e\u003cp\u003e++\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c6\"\u003e\u003cp\u003e+++\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003e400\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c2\"\u003e\u003cp\u003e+++\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c3\"\u003e\u003cp\u003e+\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c4\"\u003e\u003cp\u003e+++\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c5\"\u003e\u003cp\u003e-\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c6\"\u003e\u003cp\u003e+++\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003e500\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c2\"\u003e\u003cp\u003e++\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c3\"\u003e\u003cp\u003e+\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c4\"\u003e\u003cp\u003e+++\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c5\"\u003e\u003cp\u003e-\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c6\"\u003e\u003cp\u003e+++\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003e600\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c2\"\u003e\u003cp\u003e++\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c3\"\u003e\u003cp\u003e+\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c4\"\u003e\u003cp\u003e+++\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c5\"\u003e\u003cp\u003e-\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c6\"\u003e\u003cp\u003e+++\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003e750\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c2\"\u003e\u003cp\u003e+\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c3\"\u003e\u003cp\u003e+\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c4\"\u003e\u003cp\u003e+++\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c5\"\u003e\u003cp\u003e-\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c6\"\u003e\u003cp\u003e+++\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003e900\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c2\"\u003e\u003cp\u003e-\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c3\"\u003e\u003cp\u003e-\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c4\"\u003e\u003cp\u003e+++\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c5\"\u003e\u003cp\u003e-\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c6\"\u003e\u003cp\u003e+\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003e1200\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c2\"\u003e\u003cp\u003e-\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c3\"\u003e\u003cp\u003e-\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c4\"\u003e\u003cp\u003e+++\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c5\"\u003e\u003cp\u003e-\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c6\"\u003e\u003cp\u003e+\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003e1500\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c2\"\u003e\u003cp\u003e-\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c3\"\u003e\u003cp\u003e-\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c4\"\u003e\u003cp\u003e++\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c5\"\u003e\u003cp\u003e-\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c6\"\u003e\u003cp\u003e-\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003e1800\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c2\"\u003e\u003cp\u003e-\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c3\"\u003e\u003cp\u003e-\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c4\"\u003e\u003cp\u003e+++\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c5\"\u003e\u003cp\u003e-\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c6\"\u003e\u003cp\u003e-\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003e2000\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c2\"\u003e\u003cp\u003e-\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c3\"\u003e\u003cp\u003e-\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c4\"\u003e\u003cp\u003e+++\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c5\"\u003e\u003cp\u003e-\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c6\"\u003e\u003cp\u003e-\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003e2300\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c2\"\u003e\u003cp\u003e-\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c3\"\u003e\u003cp\u003e-\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c4\"\u003e\u003cp\u003e++\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c5\"\u003e\u003cp\u003e-\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c6\"\u003e\u003cp\u003e-\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003ctr\u003e\u003ctd align=\"left\" colname=\"c1\"\u003e\u003cp\u003e2500\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c2\"\u003e\u003cp\u003e-\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c3\"\u003e\u003cp\u003e-\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c4\"\u003e\u003cp\u003e++\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c5\"\u003e\u003cp\u003e-\u003c/p\u003e\u003c/td\u003e\u003ctd align=\"left\" colname=\"c6\"\u003e\u003cp\u003e-\u003c/p\u003e\u003c/td\u003e\u003c/tr\u003e\u003c/tbody\u003e\u003c/table\u003e\u003c/div\u003e\u003cp\u003e\u003c/p\u003e\u003cp\u003e+++ Maximum growth, ++ Moderate growth, + Less growth, − No growth\u003c/p\u003e\u003cp\u003eAmong the tested strains, \u003cem\u003eBacillus amyloliquefaciens\u003c/em\u003e and \u003cem\u003eBurkholderia cepacia\u003c/em\u003e showed the highest tolerance, with sustained visible growth up to 750 mg/L. However, at 2500 mg/L, no observable growth was recorded. Notably, the \u003cem\u003eBurkholderia cepacia\u003c/em\u003e strains (KT717633, KT717634, and KM030037) exhibited superior resistance, tolerating concentrations up to 1200 and even 2500 mg/L on Luria Agar (LA) medium (as shown in figure S6). These results suggest that bacterial tolerance to metal-organic nanocomposites is strain-specific and likely influenced by factors such as intrinsic detoxification mechanisms, cell wall composition, and metal efflux systems [\u003cspan additionalcitationids=\"CR58\" citationid=\"CR57\" class=\"CitationRef\"\u003e57\u003c/span\u003e–\u003cspan citationid=\"CR59\" class=\"CitationRef\"\u003e59\u003c/span\u003e]. \u003cem\u003eBurkholderia\u003c/em\u003e spp. is particularly known for their metal resistance, which is attributed to robust biofilm formation, membrane-associated efflux pumps, and high metabolic adaptability [\u003cspan citationid=\"CR60\" class=\"CitationRef\"\u003e60\u003c/span\u003e]. In contrast, although \u003cem\u003eBacillus\u003c/em\u003e spp. is widespread in the environment, they display moderate tolerance and can be inhibited at comparatively lower nanocomposite concentrations [\u003cspan citationid=\"CR61\" class=\"CitationRef\"\u003e61\u003c/span\u003e]. These findings underscore the potential of resistant bacterial strains, particularly \u003cem\u003eBurkholderia\u003c/em\u003e for use in the bioremediation of wastewater and soil systems contaminated with metal-organic framework residues such as [Zn-Im].\u003c/p\u003e"},{"header":"Conclusion","content":"\u003cp\u003eThe present study successfully synthesized a zinc-imidazole ([Zn-Im]) metal-organic nanocomposite via a modified method and demonstrated its dual functionality as both an efficient adsorbent for the removal of Crystal Violet (CV) dye and an antibacterial agent against multiple bacterial strains. Comprehensive characterization using FT-IR, XRD, SEM-EDX, and elemental mapping confirmed the effective coordination between ZnO and 2-methylimidazole, resulting in a porous, crystalline, and well-defined nanocomposite with abundant active sites for adsorption. Under optimized conditions (10 mg/L CV, 7 g/L adsorbent, pH 6.8, room temperature), the nanocomposite achieved 95% dye removal within 5 h, with adsorption data fitting best to the Langmuir isotherm (R\u0026sup2; = 0.98) and pseudo-second-order kinetic model (R\u0026sup2; = 0.9969). Molecular docking studies revealed strong π-π stacking and π-alkyl hydrophobic interactions between the nanocomposite and CV molecules, supporting the experimentally observed high affinity. Antibacterial assessments showed broad-spectrum activity against Gram-positive (Bacillus cereus, Bacillus amyloliquefaciens) and Gram-negative (Burkholderia cepacia strains) bacteria, with tolerance levels varying by species Burkholderia spp. demonstrating higher resistance, possibly due to robust biofilm formation and metal efflux systems.\u003c/p\u003e\u003cp\u003eReal-sample testing in tap and pond water spiked with CV demonstrated removal efficiencies of 78% and 65%, respectively, without significantly altering key water quality parameters. The [Zn-Im] nanocomposite retained 60% of its initial dye removal capacity after four consecutive reuse cycles, indicating good operational stability and reusability. Overall, the zinc-imidazole nanocomposite exhibits a synergistic combination of high dye adsorption capacity, antimicrobial efficacy, operational reusability, and applicability to real water systems. These properties make [Zn-Im] a promising multifunctional material for sustainable environmental remediation, capable of simultaneously addressing chemical contamination and microbial pollution in a single step. Future work may focus on scaling up synthesis, testing against a broader range of pollutants, and evaluating performance in continuous-flow systems for industrial wastewater applications.\u003c/p\u003e"},{"header":"Declarations","content":"\u003cp\u003e\u003cstrong\u003eAcknowledgments\u003c/strong\u003e\u003c/p\u003e\n\u003cp\u003eThe authors gratefully acknowledge the support provided by Centurion University of Technology and Management, Bhubaneswar, Odisha, India for facilitating the research infrastructure and laboratory resources necessary for this study. Special thanks are extended to the microbiology laboratory team for their help with antibacterial assays.\u003cstrong\u003e\u0026nbsp;\u003c/strong\u003e\u003c/p\u003e\n\u003cp\u003e\u003cstrong\u003eDeclaration of Competing Interest\u003c/strong\u003e\u003c/p\u003e\n\u003cp\u003eThe authors declare that they have no competing financial or personal interests that could have influenced the research, authorship, or publication of this article.\u003c/p\u003e\n\u003cp\u003e\u003cstrong\u003eAuthorship Contribution Statement\u0026nbsp;\u003c/strong\u003e\u003c/p\u003e\n\u003cp\u003eSibani Sahu: Data curation, formal analysis, investigation, methodology, validation, visualization, writing original draft, and writing review \u0026amp; editing.\u003c/p\u003e\n\u003cp\u003eSoumyaranjan Senapati: Data curation for XRD, FT-IR, and SEM-EDX analyses.\u003cbr\u003e\u0026nbsp;Madhusmita Pradhan: Antibacterial assays.\u003c/p\u003e\n\u003cp\u003eSatya Narayan Sahu: Molecular docking studies.\u003c/p\u003e\n\u003cp\u003eKapilas Das: Data curation and formal analysis.\u003c/p\u003e\n\u003cp\u003eSanjoy Kumar Maji: Data curation, formal analysis, investigation, methodology, and visualization.\u003c/p\u003e\n\u003cp\u003eDusmant Maharana: Data curation, formal analysis, investigation, methodology, and visualization.\u003c/p\u003e\n\u003cp\u003eBiswajit Mishra: Data curation, formal analysis, investigation, methodology, visualization, and writing review \u0026amp; editing.\u003c/p\u003e\n\u003cp\u003eSaismrutiranjan Mohanty: Conceptualization, data curation, formal analysis, investigation, methodology, project administration, resources, supervision, validation, visualization, writing original draft, and writing review \u0026amp; editing.\u003c/p\u003e\n\u003cp\u003eAbhishek Maurya: Supervision, validation, visualization, writing original draft, and writing review \u0026amp; editing.\u003c/p\u003e"},{"header":"References","content":"\u003col\u003e\u003cli\u003e\u003cspan\u003eR.K. 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Assess. \u003cb\u003e188\u003c/b\u003e(11), 640 (2016). \u003cspan class=\"ExternalRef\"\u003e\u003cspan class=\"RefSource\"\u003ehttps://doi.org/10.1007/s10661-016-5638-5\u003c/span\u003e\u003cspan address=\"10.1007/s10661-016-5638-5\" targettype=\"DOI\" class=\"RefTarget\"\u003e\u003c/span\u003e\u003c/span\u003e\u003c/span\u003e\u003c/li\u003e\u003c/ol\u003e"}],"fulltextSource":"","fullText":"","funders":[],"hasAdminPriorityOnWorkflow":false,"hasManuscriptDocX":true,"hasOptedInToPreprint":true,"hasPassedJournalQc":"","hasAnyPriority":false,"hideJournal":true,"highlight":"","institution":"","isAcceptedByJournal":false,"isAuthorSuppliedPdf":false,"isDeskRejected":"","isHiddenFromSearch":false,"isInQc":false,"isInWorkflow":false,"isPdf":false,"isPdfUpToDate":true,"isWithdrawnOrRetracted":false,"journal":{"display":true,"email":"[email protected]","identity":"researchsquare","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":true,"externalIdentity":"","sideBox":"","snPcode":"","submissionUrl":"/submission","title":"Research Square","twitterHandle":"researchsquare","acdcEnabled":true,"dfaEnabled":false,"editorialSystem":"","reportingPortfolio":"","inReviewEnabled":false,"inReviewRevisionsEnabled":true},"keywords":"Zinc-Imidazole Metal-Organic Nanocomposite, Crystal Violet Dye Adsorption, Antibacterial Activity, Environmental remediation, Molecular Docking","lastPublishedDoi":"10.21203/rs.3.rs-8169759/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-8169759/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"\u003cp\u003eThe development of multifunctional materials capable of simultaneously removing toxic dyes and providing antibacterial protection is critical for sustainable environmental remediation. In this study, a zinc-imidazole ([Zn-Im]) metal-organic nanocomposite was synthesized and evaluated for its dual role in removing Crystal Violet (CV) dye from aqueous systems and inhibiting bacterial growth. Characterization by FT-IR, XRD, SEM-EDX, and elemental mapping confirmed successful coordination between ZnO and 2-methylimidazole, yielding a porous and well-structured nanocomposite. Adsorption studies demonstrated that [Zn-Im] achieved 95% CV removal within 5 h under optimal conditions, following pseudo-second-order kinetics and fitting well to the Langmuir isotherm. The presence of competing ions reduced efficiency due to site blocking, but high removal rates were maintained for both tap water and pond water. Antibacterial assays revealed strong inhibitory effects against Bacillus cereus, Bacillus amyloliquefaciens, and multiple Burkholderia cepacia strains, with tolerance varying by species. Molecular docking suggested favorable π-π and π-alkyl hydrophobic interactions between CV and [Zn-Im], supporting the observed adsorption performance. The nanocomposite retained 60% efficiency after four reuse cycles, highlighting its reusability potential. Overall, [Zn-Im] offers an effective, reusable, and multifunctional solution for integrated sustainable environmental remediation.\u003c/p\u003e","manuscriptTitle":"Zinc-Imidazole Metal-Organic Nanocomposite for High-Efficiency Crystal Violet Removal and Antibacterial Applications for Environmental Remediation","msid":"","msnumber":"","nonDraftVersions":[{"code":1,"date":"2025-12-04 16:36:31","doi":"10.21203/rs.3.rs-8169759/v1","editorialEvents":[{"type":"communityComments","content":0}],"status":"published","journal":{"display":true,"email":"[email protected]","identity":"researchsquare","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":true,"externalIdentity":"","sideBox":"","snPcode":"","submissionUrl":"/submission","title":"Research Square","twitterHandle":"researchsquare","acdcEnabled":true,"dfaEnabled":false,"editorialSystem":"","reportingPortfolio":"","inReviewEnabled":false,"inReviewRevisionsEnabled":true}}],"origin":"","ownerIdentity":"c2420b14-6ccb-4fe9-a144-c08e454c7d60","owner":[],"postedDate":"December 4th, 2025","published":true,"recentEditorialEvents":[],"rejectedJournal":[],"revision":"","amendment":"","status":"posted","subjectAreas":[],"tags":[],"updatedAt":"2025-12-13T22:53:28+00:00","versionOfRecord":[],"versionCreatedAt":"2025-12-04 16:36:31","video":"","vorDoi":"","vorDoiUrl":"","workflowStages":[]},"version":"v1","identity":"rs-8169759","journalConfig":"researchsquare"},"__N_SSP":true},"page":"/article/[identity]/[[...version]]","query":{"redirect":"/article/rs-8169759","identity":"rs-8169759","version":["v1"]},"buildId":"8U1c8b4HqxoKbykW_rLl7","isFallback":false,"isExperimentalCompile":false,"dynamicIds":[84888],"gssp":true,"scriptLoader":[]}