Kinetic Model Research Articles

In-depth mechanistic insights into Au nanoparticles based polyurethane foams as a selective and efficient dispersive solid phase microextractor for textile dyes from water: performance and reusability study

ABSTRACT Herein, a simple, superhydrophobic, superoleeophilic and low cost microextractor Au nanparticles (Au NPs) based polyurethane (PUFs) solid platform (Au NPs/PUFs) has been developed as a promising sorbent for removal and recovery of Congo red (CR) textile dye from water bodies. The sorbent was characterised using UV-visible and SEM techniques. The procedure relied complete dye retention from the aqueous solution at pH 5.0–5.5 onto an Au NP/PUF extractor. Analytical assessments revealed that the Au NPs/PUFs combination significantly improves mass transfer of dye and enhances creation of active sites for CR retention. CR sorption by the sorbent fitted well with intra-particle diffusion and pseudo first-order kinetic models (R2 = 0.990). The enthalpy change, ΔH (37.8 kJ mol−1) indicates that dye extraction is endothermic whereas the entropy change, ΔS0 (116.6 J mol−1K−1), reveals a significant change in the entropy during dye uptake. The free energy change ΔG (3.12 kJ mol−1 at 298 K) of CR sorption indicated that the dye retention was not spontaneous at all temperatures. A twofold sorption mechanism involving absorption accompanying ‘solvent extraction’ and/or ‘weak ion exchange’, combined with surface adsorption of dye is proposed. Sorbent packed mini column demonstrated effective percent removal and recovery (101.8%) of CR from water samples using acetone or NaOH as an eluting agent. The study expands the utility of Au NPs/PUFs for reusability and spectrophotometric sensing of trace levels of CR in water. The key attention also includes integrating PUFs utility by improving the selectivity and sensing properties towards textile dyes.

The influence of cavitation radicals on the suspension polymerization of n‐butyl methacrylate during ultrasonic emulsification

AbstractThe influence of cavitation‐generated free radicals on the suspension polymerization of n‐butyl methacrylate under ultrasonic irradiation was investigated experimentally and by kinetic modeling. A kinetic model of radical polymerization was proposed, considering the interaction of free radicals generated in cavitation bubbles with both monomer molecules and free radicals formed within the monomer droplets. It was found that the primary contribution to the polymerization acceleration come from cavitation radicals generated inside the monomer droplets, whereas the impact of cavitation radicals formed in the dispersion medium decreases as the fraction of monomer in the mixture decreases. Increasing the concentration of cavitation radicals was shown to lead to a reduction in the average chain length and the dispersity of terminated chains. It was demonstrated that the computational results are in good agreement with experimental data.Highlights Kinetic model for suspension polymerization in ultrasonic field is proposed. Impact of cavitation radicals on suspension polymerization kinetics is studied. Chain length and dispersity decrease with increasing amount of cavitation radicals.

Utilizing Waste Biomass from Agricultural and Forestry Sustainable Resources: Biomass Conversion to Functional Adsorbent Material for Efficient Removal of Total Phosphate in Practical Water.

The promotion of the utilization of waste agricultural and forestry resources (AFRs) as a means of combating environmental pollution represents an advanced and necessary development approach with the potential to achieve sustainable development. In this work, an advanced adsorbent with a functional Mg-Al bimetallic layer was prepared using waste sawdust biomass (WSD) as a raw material. The layer serves as the primary active component for adsorbing total phosphate from both simulated and real wastewater. The hierarchical structure of the Mg-Al bimetallic hydroxide-modified waste sawdust biomass (MA@WSD) has an abundance of nanosheets on its surface, providing ample binding sites and an enhanced specific surface area of 175.99 m2/g. Under the optimal conditions, the maximum removal efficiency toward phosphate can reach 99.99%. The adsorption of phosphate by MA@WSD follows the pseudo-second order kinetic (PSOK) model, indicating that chemisorption is the rate-determining step. Moreover, the thermodynamic data demonstrate the spontaneous nature of the adsorption process, indicating the favorable characteristics of the developed material. The adsorption mechanism can be summarized as the collaboration of physical adsorption, electrostatic interaction, and chemical adsorption. The results of the regeneration process indicate that MA@WSD exhibits a retention of 50.3% of its initial adsorption performance following the fifth testing cycle, thereby suggesting its potential for comparable reusability. The MA@WSD performs well in adsorbing total phosphate in real river water, and the removal efficiency of MA@WSD is evidently superior to commercial activated carbon, which is at least 70% higher than that of the commercial activated carbon. Besides, the 5-time average removal efficiency toward total phosphate by MA@WSD is 62.9%, evidently higher than the 29.1% of commercially available activated carbon, indicating its potential as an alternative for treating phosphorus-containing wastewater. The research provides theoretical support for harmless treatment, resource utilization, carbon sequestration, and emission reduction of waste biomass.

Predicting synthetic mRNA stability using massively parallel kinetic measurements, biophysical modeling, and machine learning.

mRNA degradation is a central process that affects all gene expression levels, though it remains challenging to predict the stability of a mRNA from its sequence, due to the many coupled interactions that control degradation rate. Here, we carried out massively parallel kinetic decay measurements on over 50,000 bacterial mRNAs, using a learn-by-design approach to develop and validate a predictive sequence-to-function model of mRNA stability. mRNAs were designed to systematically vary translation rates, secondary structures, sequence compositions, G-quadruplexes, i-motifs, and RppH activity, resulting in mRNA half-lives from about 20 seconds to 20 minutes. We combined biophysical models and machine learning to develop steady-state and kinetic decay models of mRNA stability with high accuracy and generalizability, utilizing transcription rate models to identify mRNA isoforms and translation rate models to calculate ribosome protection. Overall, the developed model quantifies the key interactions that collectively control mRNA stability in bacterial operons and predicts how changing mRNA sequence alters mRNA stability, which is important when studying and engineering bacterial genetic systems.

Microwave assisted activation of silkworm excrement for fast adsorption of methylene blue and high performance supercapacitor

The activated carbon (AC) with an exceptionally high surface area was made of silkworm excrement (SE) by microwave-assisted KOH activation (MAKA). It was investigated for the potential applications in methylene blue (MB) adsorption and a supercapacitor electrode. The effect of activation time on the AC properties and performance was studied. The physical and chemical properties of the as-prepared samples were analyzed by FE-SEM, TEM, N2 adsorption, and Raman spectroscopy. Remarkably, the AC with the largest specific surface area (SAs) of 2530.3 m2g−1 was produced by partial carbonization of SE at 400 °C (SE400-5) and then activated for only 5 min. The large SAs is attributed to the abundance of micro-pores, leading to the enhanced MB absorption performance, as equilibrium was reached within 10 min at 25 ppm of MB concentration. The maximum MB adsorption capacity for SE400-5 was 902.56 mg g−1. The adsorption isotherms revealed that the Langmuir model best fits the empirical data (R2 ≥ 0.9813), indicating monolayer adsorption. The kinetic model fitted well to the Pseudo-second-order (PSO) (R2 ≥ 0.9691). CV, GCD, and EIS measurements also evaluated the electrochemical properties of all samples. The electrodes were made without the addition of conductive material. The SE400-5 also had the lowest total resistance and highest total effective capacitance, which resulted in its highest specific capacitance (Cs) of 322 F g−1 at 0.5 A g−1. The capacitive retention of SE400-5 remained as high as 98% even after 10,000 cycles at 10 A g−1. These results demonstrate that SE is a viable source of AC for MB adsorption and a supercapacitor electrode.Graphical abstract

Paper‐based sensors for real‐time cure monitoring in the production of glass fiber‐reinforced phenol‐formaldehyde composites for aerospace interiors

AbstractThe aerospace industries demand for advanced materials necessitates stringent quality control measures, particularly for composite structures to ensure optimal curing and structural integrity. Traditional methods like differential scanning calorimetry (DSC) and dynamic mechanical analysis, while useful, are limited to laboratory settings. This study explores the use of a printed paper‐based sensor for real‐time cure monitoring of glass fiber‐reinforced phenol‐formaldehyde (PF/GF) prepregs. The sensor, composed of a cellulose paper substrate with screen‐printed electrodes, offers flexibility, ease of integration, and cost‐effectiveness compared to commercial polymer‐based dielectric sensors. Real‐time monitoring with the printed paper‐based sensor was conducted at temperatures ranging from 130 to 180°C, both with and without pressure, and validated against DSC and Fourier‐transform infrared (FTIR) spectroscopy. The results showed a strong correlation between real‐time monitoring and the DSC prediction model, as well as FTIR spectroscopy. Notably, the real‐time monitoring revealed a shorter curing cycle on the production line than the predicted cure kinetic model, which is crucial for large‐scale production, such as fabricating honeycomb panels for aircraft interiors. This research underscores the importance of innovative sensor technologies in improving quality control and manufacturing efficiency in aerospace composites.Highlights Cure Monitoring of PF‐based prepregs was carried out using paper‐based sensor. Sensor offered reproducibility and seamless integration in composites. Sensor data showed a strong correlation with DSC and FTIR spectroscopy results. Paper sensors enable online monitoring of composite in aerospace manufacturing.

FeBTC MOF‐Derived Fe3O4@C Nanocomposite: Controlled Synthesis and Application as Potential Adsorbent for Rhodamine Dye Elimination From Wastewater

ABSTRACTThis study explores the controlled synthesis of a novel Fe3O4@C magnetic nanocomposite derived from FeBTC metal–organic framework (MOF) and its application as an efficient adsorbent for the removal of rhodamine dye from wastewater. The FeBTC MOF was first synthesized and then thermally decomposed in a controlled oxygen atmosphere at 375°C (1 h) to form the Fe3O4@C nanocomposite with a magnetic Fe3O4 core embedded in a porous carbon matrix. A comprehensive characterization of the nanocomposite was performed using x‐ray diffraction (XRD), transmission electron microscopy (TEM), and x‐ray photoelectron spectroscopy (XPS) to confirm the successful formation and to evaluate its structural and morphological properties. The morphological investigation revealed that the particles of Fe3O4 had a spherical shape with diameter of 10–15 nm. The carbon coating appeared as a thin amorphous layer surrounding the Fe3O4 nanoparticles. The adsorption capacity of Fe3O4@C for rhodamine B (RhB) dye was assessed under various conditions, including different pH values, contact times, initial dye concentrations, and temperatures. Complete dye removal was attained in 45 min using 50 mg of the nanocomposite and 50 mL of 5.0 ppm RhB at the optimum pH of 9.1. Under the same experimental conditions, the highest adsorption capacity of 13.0 mg/g was obtained, but using 15.0 mg of the nanocomposite. Fe3O4@C nanocomposite exhibits high adsorption efficiency, with a maximum removal capacity of 100%, which is clearly superior to many conventional adsorbents. This performance can be attributed to the synergistic effects of the magnetic Fe3O4 and the large surface area of the carbon matrix. Kinetic models were employed to understand the adsorption mechanism. The adsorption kinetics followed a pseudo‐second‐order model. The reusability of the adsorbent was tested over multiple cycles and showed a minimal loss of performance (drops to 93.0% after five removal cycles). The study demonstrates that the Fe3O4@C nanocomposite is a promising candidate for the effective removal of organic dyes from wastewater, offering potential benefits for environmental remediation and sustainable water management.

Utilization of poly(methacrylic acid)‐rice straw graft copolymers for Pb2+ ions removal from wastewater: Synthesis, characterization, and adsorption studies

AbstractRice straw bio waste was converted into a high‐performance adsorbent for Pb2+ ions removal by grafting it with methacrylic acid using microwave irradiation. For this purpose, six levels of poly(MAA)‐rice straw graft copolymers having different graft yields % with increasing order and designated as (PMAARSGC‐I to PMAARSGC‐VI) were prepared and characterized using FTIR, SEM, XRD, TGA, zeta potential and BET analysis. Different factors affecting the Pb2+ removal expressed as adsorption capacity such as pH, extent of grafting, treatment time, and lead ions concentrations were studied in detail. Various kinetics models (pseudo‐first‐order, pseudo‐second‐order, Elovich, and intraparticle diffusion), isothermal (Langmuir, Freundlich, Temkin, and Dubinin–Radushkevich) and thermodynamic studies have been applied. The results demonstrated that (a) FT‐IR, SEM, XRD, TGA, zeta potential, and BET analysis confirmed the formation of carboxyl groups onto the graft copolymer, (b) the adsorption capacity increased with increasing the Pb2+ concentration and extent of grafting within the range studied; pH from 1 to 6; and the adsorption time up to 60 min then leveled off afterward, (c) maximum adsorption capacity of poly(MAA)‐rice straw graft copolymer was found to be 118 mg/g at pH 6, 200 mg/L lead ions concentration, adsorption time, 60 min, and 0.1 g adsorbent, (d) the kinetic and isothermal studies revealed that the privilege of Elovich model and pseudo‐second‐order rate equation as well the Langmuir model with more R2 value. The calculated thermodynamic parameters indicated that the adsorption process was achievable, spontaneous, and exothermic at 298–318 K. Finally, the preliminary adsorption mechanism representing the interaction between the adsorbent and adsorbate has been projected.

Second harmonic scattering investigation of bacterial efflux induced by the antibiotic tetracycline.

Efflux pumps are a key component in bacteria's ability to gain resistance to antibiotics. In addition to increasing efflux, new research has suggested that the antibiotic, tetracycline, may have larger impacts on bacterial membranes. Using second harmonic scattering, we monitor the transport of two small molecules across the membranes of different Gram-positive bacteria. By comparing our results to a simple kinetic model, we find evidence for changes in influx and efflux across both bacterial species. These changes, however, are probe-dependent, opening new questions about the localization of the drug's effects and the specificity of the efflux pumps involved.

Kinetics of manganese removal from groundwater via biological activated carbon fiber

Abstract The residual manganese concentration from groundwater treatment plants normally exceeds the limit of 0.1 mg L−1, which is the maximum permissible manganese content set by the Ministry of Health. A new biological activated carbon fiber technology is described in this paper, in which filtration columns filled with ACF and inoculated manganese oxidizing bacteria (Citrobacter sp. FM-2) were used in an attempt to effectively remove the Mn2+ in groundwater using a biological method. By researching the various factors that influence biological manganese removal, a new kinetics model of BACF filtering with multiple influencing factors that incorporates the key factors of the process, such as the temperature, pH and empty bed contact time (EBCT), was established, and the accuracy of the model was verified. The study further extends the research on biological manganese removal and provides a reference and basis for production practice to some extent.

Functional interleukin-4 releasing microparticles impact THP-1 differentiated macrophage phenotype

IntroductionMacrophage cell therapies offer potential treatment in inflammatory diseases due to their ability to mobilize and stimulate their environment. However, successful treatment requires a pro-regenerative macrophage phenotype to be retained in vivo. Polymeric microparticles may provide a potential route to direct and sustain macrophage phenotype. Interleukin-4 (IL-4) is the most commonly used cytokine for in vitro modulation towards M2a macrophage phenotype. We designed IL-4 encapsulated microparticles to investigate the impact of drug release kinetics and developed a robust human peripheral blood monocyte cell (THP-1) in vitro assay to assess functional IL-4 release upon macrophage phenotype.MethodsIL-4 was encapsulated with human serum albumin (HSA) in microparticles fabricated from a blend of PLGA and a PLGA-PEG-PLGA triblock copolymer. Functional release of IL-4 and HSA over different time periods was measured using ELISAs. THP-1 differentiated macrophages were cultured either in direct contact with microparticles or indirectly through transwells. The immunomodulatory impact of microparticles on THP-1 cells were measured using ELISA and qPCR.Results and DiscussionIL-4 release kinetics fit with the first-order release kinetics model, indicating concentration dependent release. IL-4/HSA encapsulated microparticles modulated THP-1 differentiated macrophages towards pro-immunoregulatory subgroups. This strategy provides a novel approach in drug carrier development for in vitro assessments of macrophage phenotype to inform development of targeted therapies for inflammation and immune modulation.

Effect of Phycocyanin and Butylated Hydroxytoluene on the Oxidative Stability of Safflower Oil: A Comprehensive Kinetic Investigation

ABSTRACTSafflower includes both saturated and unsaturated fatty acids especially high levels of polyunsaturated fatty acid (PUFA). The addition of antioxidants during oil processing is one of the most effective methods. The aim of this research was to evaluate the oxidative stability of safflower oil supplemented with phycocyanin (PC) (200, 300, and 400 ppm), or butylated hydroxytoluene (BHT) (200 ppm), at 80, 90, and 100°C during the storage time. Oxidative stability of oil was measured through the assay of primary and secondary oxidation products: Peroxide value (PV) and thiobarbituric acid reactive substances (TBARS) were evaluated, respectively. Results showed that the addition of PC at 300 and 400 ppm caused the lowest peroxide levels. In addition, the oxidation reactions of this oil followed a first‐order kinetic model for PV and TBARS. The amounts of PV and TBARS were dependent on the storage temperature; according to the Arrhenius equation, the activation energy (Ea) of the samples that contain 300 and 400 ppm PC decreased in all the tested temperatures compared to control. Results of the oxidative stability indicated that PC may have superior antioxidant properties than BHT and can potentially inhibit the oil oxidation. The sample containing 300 ppm PC demonstrated heightened efficacy in suppressing primary oxidation. Moreover, the results of sensory evaluation test showed that the 300 ppm PC sample received the highest rating for overall quality, which confirm that 300 ppm PC sample could be the best sample to decrease the oxidative stability in safflower oil.

Kinetics of Cd adsorption by biochar, activated carbon, and zeolite in some calcareous soils

AbstractDifferent methods have developed to reduce the risks of potentially toxic elements in contaminated soils. Among them, adsorption is one of the most important and effective strategies. In this research, kinetics of Cd adsorption by biochar, activated carbon, and zeolite in some calcareous soils were investigated. A factorial experiment was conducted based on a completely randomized design with three replications. The factors included three types of adsorbents (sunflower's biochar, activated carbon, and zeolite), four levels of Cd (0, 20, 50, and 100 mg/L as Cd (NO3)2), and three soil samples, differing in their cation exchange capacity, soil organic matter, and calcium carbonate equivalent. Batch experiments were carried out to evaluate Cd adsorption isotherms and kinetic models. Furthermore, the effect of adsorbent dosage, contact time, and initial pH on the adsorption efficiency was examined. Optimizing studies revealed that the best pH for Cd adsorption was 5, while the optimal equilibrium time was achieved at 24 h. The results showed that the Freundlich model fitted to the experimental data slightly better than the Langmuir model. Moreover, the pseudo‐second‐order kinetic model better described the kinetic behavior of Cd adsorption for the investigated adsorbents. The maximum Cd removal efficiency (99%) belonged to soil No. 2 with biochar. Lastly, it was concluded that sunflower biochar, a cheap and cost‐effective adsorbent, had high efficiency in Cd adsorption in calcareous soils.

Kinetic Modeling of Brilliant Blue Discoloration by Ozonation

This paper presents the results of investigations on the kinetic modeling of Brilliant Blue FCF (BB) discoloration reactions in aqueous solutions with different ozone concentrations and pH conditions. Kinetic studies involve knowledge of the structure and properties of dye and ozone, as well as of the experimental conditions. In general, scientists admit that the predominant oxidation pathway is direct (by free oxygen atoms) or indirect (by free hydroxyl radicals); this will depend on influencing factors such as the physicochemical properties of the dye, the pH of the aqueous solution, ozone concentration, reaction time, and the contact mode with/without stirring. In this experimental research, two pathways were chosen following CBB = f(t)—1. a constant dye concentration and different ozone concentrations, in the concentration range of 100–250 mg/L, in three pH media (acidic, neutral, and basic), with and without stirring; 2. a constant concentration of ozone and different dyes in the concentration range of 2.5–10 mg/L, under the conditions of point 1. With the obtained experimental data, the curves CBB = f(t) were drawn and processed according to the integral method of classical kinetics, based on first- and second-order equations. Unfortunately, this simple procedure did not give any results for the pH values studied. The rate constants were negative, and/or the reaction order depended on the initial conditions. Due to its structure, the BB dye has several chromophore groups, and thus multiple attack centers, resulting in several oxidation by-products, which is why the 1H-NMR spectrum was recorded for the discoloration of BB with ozone. Since the stoichiometry of the overall oxidation reaction, as well as the relationship between the rate constant and the reaction conditions mentioned above, is not known, a kinetic model based on mass transfer coupled with a chain reaction in the bulk liquid phase was proposed and successfully tested at pH = 7. This research approach also involves the consolidation of the theoretical bases of the ozonation process through the kinetic study carried out, as well as the proposal of a kinetic model. These systematics lead to results that are applicable to other aqueous systems that are impure with dyes, allowing for generalizations and the development of the field, ensuring the sustainability of the research.

Enhanced photocatalytic degradation of organic pollutants by randomly oriented 2D SnS2 nanostructures

Abstract In this study, we present a bottom-up solvothermal technique using tin tetrachloride pentahydrate (SnCl4.5H2O) and thioacetamide as precursors to synthesize SnS2 nanostructures. Different solvents including isopropyl alcohol, ethanol (EN), and ethylene glycol were used in the reaction to enhance the photodegradation efficiency of organic pollutants, Methylene Blue (MB), and Tetracycline (TC) in an aqueous medium under simulated solar light irradiation. The SnS2 nanostructures synthesized with these solvents were characterized using various structural, morphological, and optical techniques, including x-ray diffraction, RAMAN, field emission scanning electron microscope, x-ray photoelectron spectroscopy, UV–Vis, and Brunauer–Emmett–Teller analysis. The choice of solvent was found to significantly affect the structural, morphological, and optical properties of the SnS2 nanostructures. Notably, the sample synthesized with EN as the solvent displayed a unique morphology, enhanced light-harvesting ability, efficient charge carrier separation, and a larger specific surface area, all of which contributed to its superior photocatalytic activity. This sample achieved 99.9% degradation of MB and 95% degradation of TC within 20 and 40 min, respectively. The kinetic analysis revealed maximum rate constant (k) values of 0.15242 min−1 for MB and 0.060 95 min−1 for TC, as determined by the pseudo-first-order kinetic model. We also discuss the plausible mechanism involving visible light-induced electron–hole pairs that generate reactive species, leading to the mineralization of dyes into H2O, CO2, and other gaseous products. The synthesized SnS2 nanostructures demonstrate significant potential for enhanced photocatalytic activity in organic pollutant degradation, underscoring their promise in addressing water pollution challenges.

Structure and function of the proton channel OTOP1

OTOP1 belongs to the otopetrin family of membrane proteins that form proton channels in cells of diverse types. In mammals, OTOP1 is involved in sour transduction in taste cells and contributes to otoconia formation in the inner ear. From the structural point of view, otopetrins, including OTOP1, represent a quasi-tetramer consisting of four α-barrels. The exact transport pathways mediating proton flux through the OTOP1 channel and gating units modulating its activity are still a matter of debate. This review discusses current data on structural and functional features of OTOP1. Suggested proton transport pathways, regulatory mechanisms, and key amino acid residues determining functionality of the otopetrins are considered. The existing kinetic models of OTOP1 are discussed as well. Based on revealed functional properties, OTOP1 is suggested to operate as a logical XOR element that allows for proton flux only if transmembrane pH gradient exists.

ENKIE: A package for predicting enzyme kinetic parameter values and their uncertainties.

Relating metabolite and enzyme abundances to metabolic fluxes requires reaction kinetics, core elements of dynamic and enzyme cost models. However, kinetic parameters have been measured only for a fraction of all known enzymes, and the reliability of the available values is unknown. The ENzyme KInetics Estimator (ENKIE) uses Bayesian Multilevel Models to predict value and uncertainty of KM and kcat parameters. Our models use five categorical predictors and achieve prediction performances comparable to deep learning approaches that use sequence and structure information. They provide calibrated uncertainty predictions and interpretable insights into the main sources of uncertainty. We expect our tool to simplify the construction of priors for Bayesian kinetic models of metabolism. Code and Python package are available at https://gitlab.com/csb.ethz/enkie and https://pypi.org/project/enkie/. Supplementary data are available at Bioinformatics online.

Mixture-of-Experts Based Dissociation Kinetic Model for De Novo Design of HSP90 Inhibitors with Prolonged Residence Time.

The dissociation rate constant (koff) significantly impacts the drug potency and dosing frequency. This work proposes a powerful optimization-based framework for de novo drug design guided by koff. First, a comprehensive database containing 2,773 unique koff values is created. Based on the database, a novel generic dissociation kinetic model is developed with a mixture-of-experts architecture, enabling high-throughput predictions of koff with high accuracy. The developed model is then integrated with an optimization-based mathematical programming approach to design drug candidates with low koff. Finally, the τ-RAMD method is utilized to rigorously verify the designed potential drug candidates. In a case study, the framework successfully identified numerous new potential HSP90 inhibitor candidates, achieving a maximum 45.7% improvement in residence time (τ = 1/koff) compared to that of a known exceptional HSP90 inhibitor. These findings demonstrate the feasibility and effectiveness of the kinetics-guided optimization-based de novo drug design framework in designing drug candidates with prolonged τ.

PH-sensitive polymeric hydrogels coated with cobalt ferrite nanoparticles for combined drug delivery as controlled release carriers: fabrication and in-vitro estimation

In this investigation, we produced pH-responsive hydrogels for the controlled release of drugs by graft copolymerizing Gum ghatti and acrylic acid (AA) in an aqueous medium. N, N′-methylene-bis-acrylamide (MBA) and ammonium persulphate (APS) served as cross-linkers during the synthesis process. Our research explores the integration of cobalt ferrite (CoFe2O4) magnetic nanoparticles (CFMNPs) in delivering a combination drug comprising metformin hydrochloride and sodium diclofenac. The diverse applications of CoFe2O4 nanoparticles have driven the exploration of innovative and environmentally sustainable production methods. The development of novel materials for nanoparticle synthesis adheres to the principles of “Green Chemistry” through a co-precipitation technique. Characterization of the cross-linked hydrogels involved Fourier transform infrared spectroscopy (FT-IR) and X-ray diffraction (XRD) analyses. In vitro drug release kinetics were observed under physiological conditions using Ultraviolet–Visible Spectroscopy. The drug-loaded Gg-cl-poly(AA)/CoFe2O4 hydrogels exhibited a sustained drug release profile over 24 h, with significant release occurring at a pH of 4. To comprehend the drug release mechanism, we employed kinetic modeling, encompassing Zero order, First order, Higuchi model, Hixson-Crowell model, and Korsmeyer-Peppas model, for all developed hydrogels. The findings indicated that the drug release mechanism from the hydrogels followed the Korsmeyer-Peppas model. The study concludes that the developed hydrogel offers a promising solution for the controlled administration of metformin hydrochloride and diclofenac sodium.Graphical

Overcoming clay structure challenges in lithium recovery from boron waste using high‐temperature pressure acid leaching

AbstractBoron mines contain significant amounts of lithium along with boron. After boron is extracted, lithium remains in the waste, which has a carbonate‐hosted clay‐type structure, along with other impurities. The scarcity of lithium resources and the increasing need for lithium worldwide make such resources economically important. Although the best hydrometallurgical method for the recovery of lithium trapped within the clay‐structured mineral resources is roasting with chemicals to disrupt the clay structure and acid leaching, the process is quite difficult and costly due to the high energy and chemical addition requirements. To overcome this challenge, this study proposed a high‐temperature–pressure sulphuric acid leaching process to recover lithium from the boron waste. Under the optimized conditions (liquid/solid ratio: 10, acid concentration: 1 M, temperature: 150°C, and contact time: 120 min), 100% of lithium was leached. The leaching mechanism was determined through mineral characterization (X‐ray diffractometry [XRD], X‐ray fluorescence spectrophotometer [XRF], scanning electron microscopy–energy‐dispersive X‐ray spectroscopy [SEM–EDX], Mastersizer), and a shrinking core heterogeneous kinetics model. It was found that high‐temperature–pressure sulphuric acid leaching disrupted clay structure and promoted the leaching of lithium, the leaching kinetics fit the shrinking core heterogeneous kinetics model, and was controlled by a dual mechanism with ash diffusion and chemical reactions on the particle surface. The reaction rate constants increased with increasing temperature, and the activation energy was found to be 32.17 kJ/mol.