Inverse design of chemoenzymatic epoxidation of soyabean oil through artificial intelligence-driven experimental approach.

This paper presents an inverse design methodology that utilizes artificial intelligence (AI)-driven experiments to optimize the chemoenzymatic epoxidation of soyabean oil using hydrogen peroxide and lipase (Novozym 435). First, experiments are conducted using a systematic 3-level, 5-factor Box-Behnken design to explore the effect of input parameters on oxirane oxygen content (OOC (%)). Based on these experiments, various AI models are trained, with the support vector regression (SVR) model being found to be the most accurate. SVR is then used as a fitness function in particle swarm optimization, and the suggested optimal conditions, upon experimental validation, resulted in a maximum OOC of 7.19 % (∼98.5 % relative conversion of oil to epoxy). The results demonstrate the superiority of the proposed approach over existing methods. This framework offers a general intensified process optimization strategy with minimal resource utilization that can be applied to any other process.

Photocatalytic degradation of Alizarin Red contaminant using Ag2CrO4@NiFe-LDH composite under visible light irradiation.

In this study, Ag2CrO4@NiFe-LDH nanoparticles were synthesized by hydrothermal method for photocatalytic degradation of Alizarin Red (AR) dye. Three composites with different molar percentages were prepared, among which 50%Ag2CrO4@50%NiFe-LDH composite was the best sample with a removal rate of 97.1% in AR degradation. Also, the properties, structure, and characteristics of pure Ag2CrO4 and NiFe-LDH and their composites were determined by XRD, FESEM, FTIR, EDX mapping, and UV-visible analyses. It was found that Ag2CrO4@NiFe-LDH composites with the formation of heterogeneous structure of Z-scheme, in addition to increasing the active sites and increasing the specific surface, decrease the recombination rate of pure Ag2CrO4 and NiFe-LDH. Also, the Box-Behnken design technique, which is one of the most common designs used in response surface methodology, was used to optimize the operating conditions and investigate the effect of 4 independent parameters: catalyst amount, solution concentration, pH, and light intensity. The importance of independent parameters and their interactions were determined by ANOVA. By means of numerical optimization, the optimal values of the selected parameters equal to 1.34 g/L of catalyst, concentration of 16.45 mg/L, pH = 10.74, and light intensity of 15.53 W were obtained as optimal conditions with a desirability coefficient of 1.00 and an absorption value of 89.34%. The closeness of adjusted R2 (0.9838) and predicted R2 (0.9507) values show that this model can be successfully used for prediction.

Effect of oxygen generating nanozymes on indocyanine green and IR 820 mediated phototherapy against oral cancer.

The hypoxic environment within a solid tumor is a limitation to the effectiveness of photodynamic therapy. Here, we demonstrate the use of oxygen generating nanozymes (CeO2, Fe3O4, and MnO2) to improve the photodynamic effect. The optimized combination of process parameters for irradiation was obtained using the Box Behnken experimental design. Indocyanine green, IR 820, and their different combinations with oxygen generators were studied for their effect on oral carcinoma. Dynamic light scattering technique showed the average particle size of CeO2, MnO2, and Fe3O4 to be 211 ± 16, and 157 ± 28, 143 ± 19 nm with PDI of 0.23, 0.28 and 0.20 and a zeta potential of -2.6 ± 0.45, -2.4 ± 0.60 and  -6.1 ± 0.23 mV, respectively. The formation of metal oxides was confirmed using UV-visible, FTIR, and X-ray photon spectroscopies. The amount of dissolved oxygen produced by CeO2, MnO2, and Fe3O4 in the presence of H2O2 within 2 min was 1.7 ± 0.15, 1.7 ± 0.16, and 1.4 ± 0.12 mg/l, respectively. Growth inhibition studies in the FaDu oral carcinoma spheroid model showed a significant (P < 0.05) increase in growth reduction from 81 ± 2.9 and 88 ± 2.1% to 97 ± 1.2 and 99 ± 1.0% for ICG and IR 820, respectively, after irradiation (808 nm laser, 1 W/cm2, 5 min) in the presence of CeO2 (25 µg/ml). In conclusion, oxygen-generating nanozymes can improve the photodynamic effect of ICG and IR 820.

Developing a recovery process for bioactives from discarded by-products of winemaking industry based on multivariate optimization method: Deep eutectic solvents as eco-friendly extraction media.

INTRODUCTION: The recovery process for bioactives from discarded by-products of the winemaking industry is of great value considering both environmental and economic aspects. OBJECTIVE: The goal of this study is to investigate the extraction of phenolic antioxidants from grape (Vitis vinifera) seeds by means of carboxylic acid-based deep eutectic solvents (DESs) in order to propose an environmentally friendly method based on a multivariate optimization approach. MATERIAL AND METHODS: Carboxylic acid-based DESs were designed with several molar ratios (1/1, 1/2, and 2/1). Two polyols (glycerol and ethylene glycol) were used as hydrogen bond donors, while formic acid, acetic acid, and propionic acid were selected as hydrogen bond acceptors. The process parameters (water content, extraction time, and solid mass) were analyzed to optimize the process through Box-Behnken design with response surface method, after determination of the best combination for the highest total phenolic content (TPC) and the antioxidant activity yields. RESULTS: The maximum TPC yield (153.17 ± 0.003 mg-GAE/g-GS) and antioxidant activity yield (82.26 ± 0.004 mg-GAE/g-GS) were achieved by 50% water addition into the DES (ethylene glycol/acetic acid, 1/1), 85 sec extraction time, and 0.1 g grape seed.

Dual combination of resveratrol and pterostilbene aqueous core nanocapsules for integrated prostate cancer targeting.

ABSTARCTAim: Development and evaluation of aqueous core nanocapsules (ACNs) of BCS-II-class drug like resveratrol (RSV) and pterostilbene (PTE) for prostate cancer. Materials & methods: Identify synergistic effects of molar ratios of RSV and PTE against PC-3 cell. Selected ratio of drugs was added to ACNs by double-emulsification-method using Box-Behnken design. Further, assessed for physicochemical characterization, release kinetics, compatibility, in vitro cytotoxicity, in vivo pharmacokinetic and biodistribution studies. Results: Selected 1:1 ratio of RSV and PTE had greatest synergy potential have smaller particle-size (128.1 ± 3.21 nm), zeta-potential (-22.12 ± 0.2 mV), 0.53 PDI, improved encapsulation (87% for RSV, 72% for PTE), stable, no systemic toxicity, high biodistributed/accumulated in prostate cells. Conclusion: ACNs exhibited high t1/2 (12.42 ± 1.92 hs) and 8.20 ± 8.21 hs Mean Residence Time and lower clearance, proving the high effectiveness for prostate cancer.

[Box: see text].

A statistical optimization for almost-complete methylene blue biosorption by Gracilaria bursa-pastoris.

In this study, the dried biomass of four marine algae, namely Porphyra sp., Gracilaria bursa-pastoris, Undaria pinnatifida and Laminaria sp., were screened for their ability to remove methylene blue (MB) dye from aqueous solutions. Statistical approaches of the Plackett-Burman Design (PBD) and Box-Behnken Design (BBD) were applied to optimize different environmental conditions in order to achieve the maximum MB removal percentage by Gracilaria bursa-pastoris. The biosorbent was characterized before and after adsorption process using FTIR, XRD and SEM analysis. Additionally, isotherms, kinetics and thermodynamics studies were conducted to investigate the adsorption behavior of the adsorbent. The results showed that Gracilaria bursa-pastoris achieved the highest dye removal efficiency (98.5 %) compared to 96.5 %, 93.5 % and 93.9 % for Undaria pinnatifida, Porphyra sp. and Laminaria sp., respectively. PBD analysis revealed that the agitation speed, pH, and biomass dose were found to be the significant parameters affecting MB removal onto Gracilaria dried biomass. According to the BBD results, the maximum dye removal percentage (99.68 %) was obtained at agitation speed of 132 rpm, pH 7 and biomass dose of 7.5 g/L. FTIR, XRD and SEM analysis demonstrated the participation of several functional groups in the adsorption process and changes in the cell surface morphology of the adsorbent following the dye adsorption. The adsorption isotherms showed better fit to Freundlich model (R2 = 0.9891) than the Langmuir, Temkin, and Dubinin-Radushkevich models. The adsorption kinetics were best described by the pseudo-second-order model (R2 = 0.9999), suggesting the chemical interactions between dye ions and the algal biomass. The thermodynamic parameters indicated that the adsorption of MB onto Gracilaria dried biomass was spontaneous, feasible, endothermic and random. These results indicate that dried biomass of Gracilaria bursa-pastoris is an attractive, environmentally friendly, cheap and effective agent for MB dye removal from environmental discharges.

Optimization of Extraction Conditions for Biological Attributes of Newly Developed NARC-G1 Garlic Using Response Surface Methodology and Its GC-MS Characterization.

The present paper is a comprehensive study on the optimization of ultrasonic assisted extraction and characterization of valued components from the newly developed garlic cultivar NARC-G1. The response surface methodology was employed to optimize the extraction time, solvent-to-solid ratio and extraction temperature, for optimal total phenolic contents (TPC), DPPH radical scavenging activity, α-amylase inhibition, and α-glucosidase inhibition. Under the optimized conditions (23 min extraction time, 60 °C temperature, and 39 : 1 solvent-to-solute ratio) the optimal TPC (13.76 mg GAE/g), DPPH radical scavenging activity (62.76 %), α-amylase inhibition (71.43 %), and α-glucosidase inhibition (79.43 %) were obtained. Significant correlations were observed between actual values and predicted values for the selected responses. Gas chromatography-mass spectrometry (GC-MS), revealed 26 high-value bioactives, with diallyl disulphide being the most abundant (16.22 %), followed by 2,3-dihydro-3,5-dihydroxy-6-methyl, 4H-pyran-4-one and 5-Hydroxymethylfurfural. Additionally, in silico investigation indicated that stigmasterol, arbutin, squalene, α-tocopherol and linoleic acid were responsible for antihyperglycemic potential. Moreover, antimicrobial activity revealed that S. mutans (19.25±1.98 mm) and L. monocytogenes (19.34±2.04 mm) were the most sensitive, while P. aeruginosa was the least sensitive bacterial strains against the optimized NARC-G1 garlic extract. This research effectively explains the optimal recovery of high-valued components from NARC-G1 and may contribute to nutra-pharmaceutical and functional food developments.

Sesamol Loaded Silver Nanoparticles Gel Engineered for Wound Healing via Topical Delivery: Optimization In vitro and Ex vivo Evaluation.

PURPOSE: The current investigation involved the development and application of a topical treatment for wound healing for sesamol loaded into the silver nanoparticles (SML-AgNPs). METHODS: SML-AgNPs were produced through the application of microwave technique. The SML-AgNPs were further optimized utilizing a Box Behnken Design (BBD). RESULTS: The Opt-SML-AgNPs formulation that was optimized demonstrated a particle size of 160.49 ± 1.11 nm, a polydispersity index (PDI) of 0.241 ± 0.54, a zeta potential of -21.09 ± 0.88 mV, and an efficiency of 84.19 ± 1.19%. The morphology of the Opt-SML-AgNPs reveals a spherical structure. The Opt-SML-AgNPs exhibit a higher in vitro drug release rate as compared to the SML suspension. The Opt-SML-AgNPs were incorporated into the carbopol gel (Opt-SML-AgNPG) and evaluated for various parameters. The skin permeation investigation revealed a twofold increase for the Opt-SML-AgNPG formulation when compared to the SML-conventional gel formulation. This finding indicates a prolonged release pattern and an enhanced permeability profile. The Opt-SML-AgNPs formulation exhibited a higher level of antioxidant activity when compared to the SML solution which is beneficial for wound healing. CONCLUSION: In conclusion, the Opt-SML-AgNPG exhibits considerable potential in effectively penetrating the deeper dermal layers. Therefore, it may be considered that they possess the potential to serve as a suitable nanocarrier to administer topical delivery in the context of treating skin-related illnesses.

Preparation of Complex Polysaccharide Gels with Zanthoxylum bungeanum Essential Oil and Their Application in Fish Preservation.

In this study, novel functional ZEO-complex gels were prepared using sodium alginate, inulin, grape seed extract (GSE), and Zanthoxylum bungeanum essential oil (ZEO) as the primary raw materials. The effect of the addition of inulin, GSE, and ZEO on water vapor permeability (WVP), tensile strength (TS), and elongation at break (EAB) of ZEO-complex polysaccharide gels was investigated. A comprehensive score (Y) for evaluating the characteristics of ZEO-complex polysaccharide gels was established by principal component analysis. MATLAB analysis and box-Behnken design describe each factor's four-dimensional and three-dimensional interactions. It was found that Y could reach the maximum value when the ZEO addition was at a moderate level (C = 2%). The optimum preparation process of ZEO-complex polysaccharide gels was as follows: the addition of inulin was at 0.84%, the addition of GSE was at 0.04%, and the addition of ZEO was at 2.0785%; in this way, the Y of ZEO-complex polysaccharide gels reached the maximum (0.82276). Optical scanning and X-ray diffraction tests confirmed that the prepared ZEO-complex gels have a smooth and continuous microstructure, good water insulation, and mechanical properties. The storage test results show that ZEO-complex polysaccharide gels could play a significant role in the storage and fresh-keeping of grass carp, and the physicochemical properties of complex polysaccharide gels were improved by adding ZEO. In addition, according to the correlation of fish index changes during storage, adding ZEO in complex polysaccharide gels was closely correlated with the changes in fish TBARS and TVB-N oxidation decay indices. In conclusion, the ZEO-complex polysaccharide gels prepared in this study had excellent water insulation, mechanical properties, and outstanding fresh-keeping effects on grass carp.

Response surface methodology guided approach for optimization of protein isolate from Faba bean. Part 1/2.

Ultrasound-assisted extraction (UAE) was evaluated as a green procedure to produce faba beans protein isolates from faba beans. Magnetic stirring was performed as conventional extraction. A three-level five-factor Box-Behnken Design (BBD) was applied to obtain the optimal UAE conditions to concurrently maximize extraction yield and protein content. The response surface methodology (RSM) showed a quadratic curvature for extraction yield and protein. The optimal extraction conditions were determined as: Power of 123 W, solute/solvent ratio of 0.06 (1:15 g/mL), sonication time of 41 min, and total volume of 623 mL with a desirability value of 0.82. Under these conditions, the extraction yield of 19. 75 ± 0.87 % (Protein yield of 67.84 %) and protein content of 92.87 ± 0.53 % were obtained for optimum ultrasound extraction. Control samples using magnetic stirring under similar conditions without ultrasound treatment showed an extraction yield of 16.41 ± 0.02 % (Protein yield of 54.65 %) and a protein content of 89. 88 ± 0.40 %. This shows that BBD can effectively be used to optimize the extraction of proteins from faba beans using optimal extraction conditions, resulting in a higher extraction yield and protein purity.

Box-Behnken design assisted approach in optimizing lipid composition for cationic liposome formulation as gene carrier.

BACKGROUND: Cationic liposomes represent a promising non-viral carrier platform for gene delivery. The successful intracellular delivery of genes to the target cell is highly influenced by lipid compositions in the liposomal formulation. In the present study, a Box-Behnken design was applied to investigate the optimal lipid composition for the liposome-based transfection agent. METHODS: The concentrations of DOTAP, DSPE-PEG, and cholesterol were set as independent factors. A total of 15 lipid compositions were generated and tested for specific responses, including particle size, encapsulation efficiency, cell viability, and cell transfection. The data were then analyzed to predict the optimal composition using response surface methodology (RSM). RESULTS: The results for particle size, encapsulation efficiency, cell viability and fluorescence intensity ranged from 158.7 to 2064 nm, 48.19-95.72%, 81.50-122.67%, and 0.0-9.08, respectively. Compositions of liposome-based transfection agent without DOTAP, those without cholesterol, and those containing DSPE-PEG2000 with a molar ratio equal to or greater than that of cholesterol tended to exhibit low encapsulation efficiency. The ability of the liposome to complex DNA, as determined through electrophoresis gel retardation assay, showed that the composition without DOTAP produced DNA bands, indicating that the prepared liposomes had a less ability to complex DNA. The cytotoxicity test results indicated that all lipid compositions were considered non-toxic, as they exhibited >80% cell viability. The cell transfection assay demonstrated that the lipid composition containing a combination of DOTAP and cholesterol was able to transfect DNA into cells. According to response analysis, RSM predicted that the optimal lipid composition consisted of 2.75 µmol DOTAP and 0.91 µmol cholesterol, with a desirability value of 0.85. CONCLUSIONS: Although the equation model is still acceptable for predicting the optimal lipid composition, further study is needed to obtain a model with higher desirability, such as by using more lipid compositions, increased replications, and different variable responses.

Minimizing anti-nutritional factors in wet protein extraction from Swedish faba beans through the application of response surface methodology.

Faba beans, rich in protein and ideal for Swedish cultivation, are limited in food industry use due to anti-nutritional factors (ANFs) that hinder nutrient absorption. An extraction method was developed in our study to mitigate ANFs in faba beans, using aqueous alkaline methods and isoelectric precipitation with differential salt concentration. This method yielded 15.8 g of protein per 100 g of flour, with a protein concentration exceeding 83% of the total extract. It reduced ANFs like phytic acid (28.0%), lectins (87.5%), vicine (98.5%), and convicine (99.7%). Extraction conditions were optimized using response surface methodology, identifying pH 6, 2 h, and 20 °C as the most effective parameters, achieving an 86% reduction in phytic acid, closely matched the model's predictions (R2 = 0.945). This method effectively reduced ANFs, offering a sustainable approach for producing proteins suitable for diverse food products, including plant-based alternatives.

Formulation Optimization and Characterization of Solid Lipid Nanoparticles of Apixaban.

BACKGROUND: Unpredictable situations such as clotting of blood, deep vein thrombosis, and pulmonary embolism arise in the body, which is the leading cause of mortality. Such conditions generally arise after surgery as well as after treatment with oral anticoagulant agents. Apixaban is a novel oral anticoagulant widely recommended for the prevention and treatment of strokes and blood clots suffering from nonvalvular atrial fibrillation by suppressing factor Xa. Apixaban has a log P of 2.71 with poor solubility and reported maximum bioavailability of approximately 50%. OBJECTIVE: Hence, the current research mainly focused on the improvement of solubility, bioavailability, and therapeutic efficacy of Apixaban via solid lipid nanoparticles (SLN). METHODS: The SLN was developed using the hot-homogenization method using a high-pressure homogenizer. The drug-lipid compatibility study was assessed by the FTIR, and the thermal analysis was performed using differential scanning calorimetry (DSC). During the scrutiny of lipids, the highest solubility of Apixaban was estimated in the glyceryl monostearate, hence selected for the formulation. Moreover, the colloidal solution was stabilized by the polyethylene glycol 200. The Design of Expert software (Version 13, Stat-Ease) was implemented for the optimization analysis by considering the 3-independent factors and 2-dependent parameters. The Patents on the SLN are Indian 202321053691, U.S. Patent, 10,973,798B2, U.S. Patent, U.S. Patent 2021/0069121A1, U.S. Patent 2022/0151945A1. RESULTS: Box-Behnken design was applied along with ANOVA, which showed a p-value less than 0.05 for the dependent parameters such as particle size and entrapment efficiency (p-value: 0.0476 and 0.0379). The optimized batch F10 showed a particle size of 167.1 nm, -19.5 mV zeta potential, and an entrapment efficiency of 87.32%. The optimized batch F10 was lyophilized and analyzed by Scanning electron microscopy (SEM), which showed a particle size of 130 nm. The solid powder was filled into the capsule for oral delivery. CONCLUSION: The marked improvement in solubility and bioavailability was achieved with F10- loaded Apixaban via Solid lipid nanoparticles. Moreover, the sustained released profile also minimizes the unseen complications that occur due to the clotting of blood.

Enhancing Cellulose and Lignin Fractionation from Acacia Wood: Optimized Parameters Using a Deep Eutectic Solvent System and Solvent Recovery.

Cellulose and lignin, sourced from biomass, hold potential for innovative bioprocesses and biomaterials. However, traditional fractionation and purification methods often rely on harmful chemicals and high temperatures, making these processes both hazardous and costly. This study introduces a sustainable approach for fractionating acacia wood, focusing on both cellulose and lignin extraction using a deep eutectic solvent (DES) composed of choline chloride (ChCl) and levulinic acid (LA). A design of experiment was employed for the optimization of the most relevant fractionation parameters: time and temperature. In the case of the lignin, both parameters were found to be significant variables in the fractionation process (p-values of 0.0128 and 0.0319 for time and temperature, respectively), with a positive influence. Likewise, in the cellulose case, time and temperature also demonstrated a positive effect, with p-values of 0.0103 and 0.028, respectively. An optimization study was finally conducted to determine the maximum fractionation yield of lignin and cellulose. The optimized conditions were found to be 15% (w/v) of the wood sample in 1:3 ChCl:LA under a treatment temperature of 160 °C for 8 h. The developed method was validated through repeatability and intermediate precision studies, which yielded a coefficient of variation lower than 5%. The recovery and reuse of DES were successfully evaluated, revealing remarkable fractionation yields even after five cycles. This work demonstrates the feasibility of selectively extracting lignin and cellulose from woody biomass using a sustainable solvent, thus paving the way for valorization of invasive species biomass.

Acid Mine Drainage Precipitates from Mining Effluents as Adsorbents of Organic Pollutants for Water Treatment.

Acid mine drainage (AMD) is one of the main environmental problems associated with mining activity, whether the mine is operational or abandoned. In this work, several precipitates from this mine drainage generated by the oxidation of sulfide minerals, when exposed to weathering, were used as adsorbents. Such AMD precipitates from abandoned Portuguese mines (AGO, AGO-1, CF, and V9) were compared with two raw materials from Morocco (ClayMA and pyrophyllite) in terms of their efficiency in wastewater treatment. Different analytical techniques, such as XRD diffraction (XRD), Fourier Transform Infrared spectroscopy (FTIR), N2 adsorption isotherms, and Scanning Electron Microscopy (SEM) with Energy Dispersive X-ray (EDX) were used to characterize these natural materials. The adsorption properties were studied by optimizing different experimental factors, such as type of adsorbent, adsorbent mass, and dye concentration by the Box-Behnken Design model, using methylene blue (MB) and crystal violet (CV) compounds as organic pollutants. The obtained kinetic data were examined using the pseudo-first and pseudo-second order equations, and the equilibrium adsorption data were studied using the Freundlich and Langmuir models. The adsorption behavior of the different adsorbents was perfectly fitted by the pseudo-second order kinetic model and the Langmuir isotherm. The most efficient adsorbent for both dyes was AGO-1 due to the presence of the cellulose molecules, with qm equal to 40.5 and 16.0 mg/g for CV and MB, respectively. This study confirms the possibility of employing AMD precipitates to adsorb organic pollutants in water, providing valuable information for developing future affordable solutions to reduce the wastes associated with mining activity.

Optimization of the Microwave-Assisted Extraction of Caffeine from Roasted Coffee Beans.

This study aimed to develop a fast procedure for caffeine extraction from roasted coffee beans. The microwave-assisted extraction was carried out in the microwave oven with an operating frequency of 2450 MHz. The response surface methodology based on a Box-Behnken design was used to model and optimize the extraction process. Among the analyzed extraction parameters (factors), the influence of extraction time (2-6 min), liquid-to-solid ratio (5-15 mL/g), and microwave power (336-595 W) were considered, while the yield of extracted caffeine was observed as the response of the system. Water was used as the solvent of choice for the extraction of caffeine. The optimum conditions were as follows: extraction time, 2 min; liquid-to-solid ratio, 15 mL/g; and microwave power, 500 W. In this optimized condition, the expected extraction yield of caffeine was 1.01 g/100 g dry weight (value confirmed by experimental assays). The total energy consumed of 1.7 kWh/100 g of purified caffeine indicated a more energy-efficient procedure by about 1200-15,000 times than the reported procedures. This study showed that caffeine can be quantitatively extracted from roasted coffee beans through a green approach and that the isolated caffeine has a high purity degree, which was confirmed by the UHPLC-ESI-MS/MS method. With this quality, isolated caffeine could be further used as an active ingredient in the food industry, while for pharmaceutical purposes, it must be further purified.

Remediation of lead toxicity with waste-bio materials from aqueous solutions in fixed-bed column using response surface methodology.

Heavy metal ions pose significant risks to human health, pelagic, and several other life forms due to perniciousness, tendency to accumulate, and resistance to biodegradation. Waste bio-materials extend a budding alternative as low-cost adsorbent to address the removal of noxious pollutants from wastewater on account of being cost-effective and exhibiting exceptional adsorption capacities. The current exploration was accomplished to gauge the performance of raw and modified human hair concerning lead scavenging in a down-flow fixed bed column. The appraisal of column performance under varying operational parameters encompassing bed height (15-45 cm), influent metal ion concentration (60-140 mg L-1), and a solution flow rate (20-40 mL min-1) was performed by breakthrough curve analysis. The consequences acquired were evaluated using the Yoon Nelson, Thomas, Adam-Bohart, and Bed Depth Service Time (BDST) model. Among these employed models, Bed Depth Service Time (BDST) and Thomas models exhibited the highest R-squared value compared to the Yoon Nelson and Adam-Bohart's model for most cases. In addition, the optimization of lead adsorption was followed using the Box-Behnken design of response surface methodology (RSM). The optimal conditions (desirability-1.00) for achieving a goal of maximum percent removal of lead ions were marked to be a bed height of 42.79 cm, solution flow rate of 20.92 mL min-1, and an initial metal concentration of 139.51 mg L-1. Under these optimized conditions, the percent amputation of lead in a fixed bed was observed to be 82.31 %, while the results of the experiment performed approximately under these optimized conditions revealed a percent removal of 85.05 %, reflecting a reasonable conformity with values acquired through Box-Behnken design.

Electrospun O-quaternary ammonium chitosan/polyvinyl alcohol nanofibrous film by application of Box-Behnken design response surface method for eliminating pathogenic bacteria.

In this study, O-quaternary ammonium chitosan (O-HTCC) containing bicationic antibacterial active groups was synthesized to develop an O-HTCC/PVA porous nanofibrous film to enhance antibacterial activity, leveraging surface modification and nano-porous structure design. Uniform and smooth nanofibrous structures (average diameter: 72-294 nm) were successfully obtained using a simple and feasible electrospinning method. A response surface model via Box-Behnken design (BBD) was used to clarify the interaction relationship between O-HTCC fiber diameter and three critical electrospinning parameters (O-HTCC concentration, applied voltage, feed flow rate), predicting that the minimum O-HTCC fiber diameter (174 nm) could be achieved with 7 wt% of O-HTCC concentration, 14 kV of voltage, and 0.11 mL/h of feed flow rate. Linear regression (R2 = 0.9736, Radj2 = 0.9716) and the Anderson Darling test demonstrated the excellent fit of the RSM-BBD model. Compared to N-HTCC/PVA nanofibrous film, the O-HTCC/PVA version showed increased growth inhibition and more effective antibacterial efficacies against Escherichia coli (E. coli) (~;86.34 %) and Staphylococcus aureus (S. aureus) (~;99.99 %). DSC revealed improved thermal stability with an increased melting temperature (238 °C) and endothermic enthalpy (157.7 J/g). This study holds potential for further development of antibacterial packaging to extend food shelf-life to reduce bacterial infection.

Enhancing methyl violet 2B pollutant removal from wastewater using Al-MOF encapsulated with poly (itaconic acid) grafted crosslinked chitosan composite sponge: Synthesis, characterization, DFT calculation, adsorption optimization via Box-Behnken Design.

In this research, aluminum metal-organic framework encapsulated with poly (itaconic acid) grafted crosslinked chitosan composite sponge (Al-MOF@PIC) was prepared. SEM, FTIR, XPS, XRD, and BET techniques were employed to thoroughly characterize the synthesized material and establish its structure and characteristics. The study discovered that the Al-MOF@PIC is an efficient way to remove dyes, which constitute a significant number of contaminants in industrial wastewater. Subsequently the adsorption of methyl violet 2B (MV-2B) dye, the surface area, pore size, and pore volume of the adsorbent decreased from 1860.68 m2/g, 1.62 nm, and 1.52 cc/g to 1426.45 m2/g, 1.11 nm, and 0.92 cc/g, individually. This modification suggested that a portion of the MV-2B dye had been removed by adsorption over the adsorbent's pores. The excellent adsorption capacity of the material was further confirmed by batch adsorption tests, which displayed a maximum adsorption capability of 646.76 mg/g for the elimination of MV-2B dye. The high adsorption energy of 26.8 kJ/mol designates that chemisorption is primarily responsible for MV-2B dye adsorption against the sponge adsorbent. The Al-MOF@PIC composite sponge demonstrated exceptional reusability over six cycles, demonstrating its strength and durability. The Al-MOF@PIC composite sponge successfully removes MV-2B from water by pore filling, π-π stacking, hydrogen bonding, and electrostatic interactions, which are the key mechanisms behind the adsorption of the dye pollutant. Its potential for practical applications is further demonstrated using Box Behnken-design (BBD) to optimize the adsorption consequences.

Poly(allylamine)-adorned heptylcarboxymethyl galactomannan nanocarriers of canagliflozin for controlling type-2 diabetes: Optimization by Box-Behnken design and in vivo performance.

In the past three decades, the prevalence of type-2 diabetes has arisen dramatically in countries of all income levels. A novel, most effective nanotechnology-based strategy may reduce the prevalence of diabetes. Recently, the shell-crosslinked polysaccharide-based micellar nanocarriers (MNCs) have shown great promise in terms of stability, controlled drug release, and improved in vivo performance. In this study, heptyl carboxymethyl guar gum was synthesized and characterized by ATR-FTIR, 1HNMR spectroscopy, surface charge, critical micelle concentration (23.9 µg/mL), and cytotoxicity analysis. Box-Behnken design was used to optimize the diameter, zeta potential, drug entrapment efficiency (DEE), and drug release characteristics of poly (allylamine)-crosslinked MNCs containing canagliflozin. The optimized MNCs revealed spherical morphology under TEM and had 149.3 nm diameter (PDI 21.2 %), +53.8 mV zeta potential, and 84 % DEE. The MNCs released about 63 % of the drug in 12 h under varying pH of the simulated gastrointestinal fluid. DSC and x-ray analyses suggested amorphous dispersion of drugs in the MNCs. CAM assay demonstrated the biocompatibility of the MNCs. The MNCs showed hemolysis of <1 %, 85 % mucin adsorption, and stability over three months. The MNCs demonstrated excellent anti-diabetic efficacy in streptozotocin-nicotinamide-induced diabetic rats, continuously lowering blood glucose levels up to 12 h.