Ibuprofen Molecules Research Articles

Selective O2-to-H2O2 Electrosynthesis by a High-Performance, Single-Pass Electrofiltration System Using Ibuprofen-Laden CNT Membranes.

Producing H2O2 through a selective, two-electron (2e) oxygen reduction reaction (ORR) is challenging, especially when it serves as an advanced oxidation process (AOP) for cost-effective water decontamination. Herein, we attain a 2e-selectivity H2O2 production using a carbon nanotube electrified membrane with ibuprofen (IBU) molecules laden (IBU@CNT-EM) in an ultrafast, single-pass electrofiltration process. The IBU@CNT-EM can generate H2O2 at a rate of 25.62 mol gCNT-1 h-1 L-1 in the permeate with a residence time of 1.81 s. We demonstrated that an interwoven, hydrophilic-hydrophobic membrane nanostructure offers an excellent air-to-water transport platform for ORR acceleration. The electron transfer number of the ORR for IBU@CNT at neutral pH was confirmed as 2.71, elucidating a near-2e selectivity to H2O2. Density functional theory (DFT) studies validated an exceptional charge distribution of the IBU@CNT for the O2 adsorption. The adsorption energies of the O2 and *OOH intermediates are proportional to the H2O2 selectivity (64.39%), higher than that of the CNT (37.81%). With the simple and durable production of H2O2 by IBU@CNT-EM electrofiltration, the permeate can actuate Fenton oxidation to efficiently decompose emerging pollutants and inactivate bacteria. Our study introduces a new paradigm for developing high-performance H2O2-production membranes for water treatment by reusing environmental functional materials.

Janus Dendrimers as Nanocarriers of Ibuprofen, Chlorambucil and their Anticancer Activity.

Janus Dendrimer represents a novel class of synthetic nanocarriers. Since it is possible to introduce multiple drugs and target moieties, this helps the designing of new biocompatible forms with pharmacological activities comprised of different drugs with tailor-made functionalities, such as anticancer and nonsteroidal anti-inflammatory, which could improve the anticancer activity with less toxicity. This study aimed to determine the anticancer activity of the Janus dendrimers formed by two dendrons. One dendron conjugates with chlorambucil, and the other dendron conjugates with Ibuprofen. The cytotoxicity of the drug carriers was determined by the sulforhodamine B (SRB) assay for three cell lines. PC-3 (human prostatic adenocarcinoma), HCT-15 (human colorectal adenocarcinoma), MFC-7 (human breast cancer) and the COS-7 African green monkey kidney (used as a control) cell lines were seeded into 96-well plates at a density of 5x103 cells/well and cultured for 24 h before use. All the obtained compounds were characterized by 1H and 13C NMR one and two dimensions, UVvis, FTIR, MALDI-TOF, Electrospray mass, and FAB+. Microscopic images were taken in an Inverted microscope Nikon, Diaphot 300, 10x4 in culture medium. Janus dendrimers (G1 and G2) were synthesized via an azide-alkyne click-chemistry reaction attaching on one face dendrons with ibuprofen molecules and, on the other face, attached a chlorambucil- derivative. The IC50 behavior of the conjugates of the first and second generations showed anticancer activity against PC-3, HCT-15, and MFC-7 cell lines. The second generation was more active against PC-3, HCT-15 and MFC-7 with IC50 of 3.8±0.5, 3.0±0.2 and 3.7 ± 1.1 mM, respectively. The new Janus dendrimers with anticancer chlorambucil and nonsteroidal antiinflammatory Ibuprofen can improve the anticancer activity of chlorambucil with less toxicity. Now, we are working on the synthesis of new Janus dendrimers using the most effective and fine methods. Moreover, we hope that we shall be able to obtain different generations that are more selective against cancer cells.

Polyethyleneimine-functionalized magnetic sugarcane bagasse cellulose film for the efficient adsorption of ibuprofen

Polyethyleneimine-modified magnetic sugarcane bagasse cellulose film (P-SBC/Fe3O4 film) was simply fabricated for the removal of ibuprofen (IBP), a typical emerging organic contaminant. The P-SBC/Fe3O4 film exhibited an equilibrium adsorption amount of 370.52 mg/g for IBP and a corresponding removal efficiency of 92.63 % under following adsorption conditions: 318 K, pH 4, and 0.25 mg/mL dosage. Thermodynamic studies indicated that adsorption of IBP on the P-SBC/Fe3O4 film was spontaneous (∆G < 0) and endothermic (∆H > 0). The adsorption data conformed to the Freundlich isotherm model and multilayer adsorption model (two layers), and an average of 3–4 active sites on the P-SBC/Fe3O4 film share an IBP molecule. Both the EDR-IDR and AOAS models vividly described the dynamic characteristics of adsorption process. Model fitting results, theoretical calculations, and comprehensive characterization revealed that adsorption is driven by electrostatic interactions between the primary amine of P-SBC/Fe3O4 film and the carboxyl group of IBP molecule, while other weak interactions are also non-ignorable. Furthermore, quantitative calculations based on density functional theory (DFT) underscored the importance of PEI functionalization. In conclusion, P-SBC/Fe3O4 film is an environmentally friendly and cost-effective adsorbent with significant potential for effectively removing IBP, while maintaining its efficacy over multiple cycles.

Organic Nucleation: Water Rearrangement Reveals the Pathway of Ibuprofen.

The organic nucleation of the pharmaceutical ibuprofen is investigated, as triggered by the protonation of ibuprofen sodium salt at elevated pH. The growth and aggregation of nanoscale solution species by Analytical Ultracentrifugation and Molecular Dynamics (MD) simulations is tracked. Both approaches reveal solvated molecules, oligomers, and prenucleation clusters, their size as well as their hydration at different reaction stages. By combining surface-specific vibrational spectroscopy and MD simulations, water interacting with ibuprofen at the air-water interface during nucleation is probed. The results show the structure of water changes upon ibuprofen protonation in response to the charge neutralization. Remarkably, the water structure continues to evolve despite the saturation of protonated ibuprofen at the hydrophobic interface. This further water rearrangement is associated with the formation of larger aggregates of ibuprofen molecules at a late prenucleation stage. The nucleation of ibuprofen involves ibuprofen protonation and their hydrophobic assembly. The results highlight that these processes are accompanied by substantial water reorganization. The critical role of water is possibly relevant for organic nucleation in aqueous environments in general.

Molecular Characterization of Mesoporous Silica (Un)loading by Gemcitabine and Ibuprofen – An Interplay of Salt-Bridges and Hydrogen Bonds

The molecular mechanisms of mesoporous silica nanomaterial (MSN) loading by gemcitabine and ibuprofen molecules, respectively, are elucidated as functions of pore geometry. Based on a small series of MSN archetypes, we use molecular dynamics simulations to systematically explore molecule-by-molecule loading of the carrier material. Apart from predicting the maximum active pharmaceutical ingredient (API) loading capacity, more detailed statistical analysis of the incorporation energy reveals dedicated profiles stemming from the interplay of guest-MSN salt-bridges/hydrogen bonding in concave and convex domains of the silica surfaces - which outcompete interactions among the drug molecules. Only after full coverage of the silica surface, we find secondary layer growth stabilized by guest-guest interactions exclusively. Based on molecular models, we thus outline a two-step type profile for drug release from MSN networks. Subject to the MSN structure, we find 50–75 % of the API within amorphous domains in the inner regions of the pores – from which drug release is provided at constant dissociation energy. In turn, the remaining 50–25 % of drug molecules are drastically hindered from dissociation.

Ibuprofen adsorption and detection of pristine, Fe–, Ni–, and Pt–doped boron nitride nanotubes: A DFT investigation

The main challenge has been focused on ibuprofen drug detection and adsorption of boron nitride nanotube (BNNT) doping with transition metal (TM = Fe, Ni, and Pt) atoms using the density functional theory calculation in gas and water phases. The geometrical structures, adsorption energies, solvation energies, and electronic properties were examined. The optimized geometries show that the ibuprofen molecule oriented itself at different bond distances and angles with respect to BNNT surface. The calculated results display exothermic adsorption processes for all ibuprofen/BNNT and ibuprofen/TM–doped BNNT complexes. Ibuprofen molecule can absorb on the Fe–, Ni–, and Pt–doped BNNTs via a stronger interaction than those of pristine BNNT in both gas and water phases in which the Fe doping on N site of BNNT shows the strongest interaction with ibuprofen molecule. The H (head) site of ibuprofen molecule to BNNT surface shows stronger interaction than M (middle) and T (tail) sites. The short of adsorption distance and the large of charge transfer correspond to the high adsorption strength of TM–doped BNNTs toward ibuprofen molecule. Charge analysis confirms the partial charge transfer occurring from the ibuprofen molecule to the BNNTs. The solvation energies in water solution reveal that the ibuprofen molecule adsorbed on TM–doped BNNTs is more soluble than pristine BNNT. The work functions of BNNTs are reduced by ibuprofen adsorption. A short recovery times and suitable desorption temperatures are observed for the ibuprofen desorption on pristine BNNT and TM–doped BNNT surfaces. After ibuprofen adsorption, the energy levels and energy gaps of Fe–, Ni–, and Pt–doped BNNTs are changed in which Ni doping on B atom of BNNT displays the largest change. The quantum molecular characteristics of BNNT will be changed after ibuprofen adsorption. The orbital distributions are occurred around the ibuprofen molecule and doping site. The alteration in the density of states for TM–doped BNNT is considerably more pronounced compared to the pristine BNNT. Drawing from the achieved outcomes, it can be inferred that when employed for the delivery of ibuprofen in biological media, Fe–, Ni–, and Pt–doped BNNTs exhibits the greater suitability for the adsorption and detection of the ibuprofen molecule compared to pristine BNNT.

Facile synthesis of a recyclable multifunctional magnetic adsorbent prepared from H2O2-modified carbon clay/rice flour polymer/Fe3O4 nanoparticles interface for effective removal of ibuprofen

BackgroundThe combination between magnetite nanoparticles with natural carbohydrate polymers and aluminosilicates is recommended to be a positive strategy in the design of a new type of low-cost, high–efficiency, and eco-friendly magnetic adsorbents for decontamination of toxic pharmaceutical compounds from water. In particular, ibuprofen (IBP) is found to be one of the common drugs detected in water bodies, which is a suggestively alarming state. MethodsA fresh sample of gossan (iron-bearing weathered product) was used in the fabrication of magnetite nanoparticles (MNPs) to be used in the decoration of a bio-composite prepared from H2O2-activated black clay (BC) and biodegradable rice flour (RF) interface. The as-synthesized magnetic biosorbent (BC/RF/MNPs) was characterized by FTIR, FESEM, TEM, XRD, DSC, and TGA techniques and employed in the remediation of ibuprofen at pH 7.0 and temperatures of 25, 40, and 50°C. The adsorption results were fitted to kinetics, traditional isotherms, and statistical physical models to better understand the interaction between IBP and BC/RF/MNPs adsorbent. Significant findingThe pseudo-second-order (PSO) and Freundlich equations described the IBP adsorption system. Monolayer and double-layer advanced statistical physics models were employed to analyze the geometry and interactions mechanism at the molecular scale. The double-layer model showed the best-fitting results, and thus, its steric and energetic parameters and thermodynamic functions were explained. The number of the removed IBP molecules per site (steric n parameter) ranged from 0.55 to 0.84 suggesting the involvement of parallel and non-parallel orientations in the removal process. The adsorption capacity at saturation (Qsat) increased from 45.73 to 67.90mg/g at 25 - 50 ºC signifying endothermic interactions. The adsorption energy ranged from 0.42 to 3.42kJ/mol reflecting the physical interactions between IBP and BC/RF/MNPs. Thermodynamic functions suggested the endothermic and spontaneous nature of the IBP adsorption process. Adsorption/desorption results suggested the high stability and economic benefit of BC/RF/MNPs sorbent.

Localization of the ibuprofen molecule in model lipid membranes revealed by spin-label-enhanced NMR relaxation

Non-steroidal anti-inflammatory drugs (NSAIDs) have antipyretic, anti-inflammatory and analgesic effects, and can be used in the treatment of various diseases. These drugs have also a number of side effects, which may be related to their interaction with lipid membranes. In this study, we use the spin-labeled NSAID ibuprofen (ibuprofen-SL) as a relaxation enhancer to study its interaction with model lipid membranes employing liquid-state 1H NMR at 500 MHz. The high magnetic moment of unpaired electron in the spin label made it possible to reduce the concentration of the studied drug in the membrane to tenths of a mole percent. As model membranes, unilamellar POPC liposomes and bicelles consisting of a 2:1 mixture of DHPC:DMPC or DHPC:POPC lipids were used. An increase in the rate of proton spin-lattice relaxation, T1−1, selectively detected for protons at different positions in the lipid molecule, showed that ibuprofen-SL is localized in the hydrophobic part of the lipid bilayer. As the concentration of ibuprofen-SL increases to 0.5 mol%, the distribution of positions of ibuprofen-SL across the bilayer becomes wider. In the presence of 20 mol% of cholesterol, ibuprofen-SL is displaced from the core of the membrane to a region closer to the head group of the bilayer. This displacement was also confirmed by the NMR NOESY experiment conducted with unlabeled ibuprofen. For bilayers containing unsaturated POPC lipids, the distribution of ibuprofen positions across the bilayer becomes narrower compared to the presence of saturated DMPC lipids.

Hybrid chitosan/molecularly imprinted polymer hydrogel beads doped with iron for selective ibuprofen adsorption

Pharmaceutical pollutants are a group of emerging contaminants frequently found in water streams. In this study, the composite chitosan beads with incorporated molecularly imprinted polymers (monoliths or microparticles) and iron(III) hydroxide were fabricated to remove ibuprofen from aqueous solutions. The adsorptive properties were investigated in different conditions to evaluate the influence of solution pH, adsorbent dose, ibuprofen initial concentration, adsorption time, and temperature. The highest adsorption capacity (79.41 mg g−1), about twice as large as that for the chitosan beads without polymers (39.42 mg g−1), was obtained for the ones containing monoliths imprinted with ibuprofen. The theoretical maximum adsorption capacity of 103.93 mg g−1 was obtained based on the experiments in optimal pH 5. The adsorption of ibuprofen on the hybrid hydrogel beads followed the Freundlich isotherm and pseudo-second-order kinetic models. The process was found as endothermic and thermodynamically spontaneous. The adsorbent with a molecularly imprinted polymer retained its selectivity in the presence of other molecules. The imprinted cavities, chitosan functional groups, and iron hydroxide were presumably responsible for interactions with ibuprofen molecules. Additionally, the effectiveness of the adsorbent did not change significantly in real water samples and remained at a satisfactory level for up to four desorption-adsorption cycles.

Concentration-dependent mechanism of the binding behavior of ibuprofen to the cell membrane: A molecular dynamic simulation study

Ibuprofen is a commonly used drug for treating headaches, pain, and fever. The lipid bilayer is the primary and most important interface for drugs to interact with biological systems. However, the molecular interactions between ibuprofen and the cell membrane are not well understood. Our findings suggest that the interactions between ibuprofen and the bilayer involve multiple steps and depend on the concentration of the drug. At low concentrations of ibuprofen, it can bind to the surface of the lipid bilayer. The electrostatic and vdW energies of IBU-lipid at 0 ns of the simulation were −22.5 ± 3.2 and −5.9 ± 1.2 kj.mol-1 Fig. 2. In the following, the vdW energy of the IBU-lipid was increased by around −134.6 ± 3.7 kj.mol-1 whereas the electrostatic energy of the IBU-lipid was significantly decreased. This binding is facilitated by electrostatic and vdW interactions between ibuprofen and the head group of lipids. In the second step, ibuprofen is inserted into the lipid bilayer and positioned at the interface between the bilayer and the aqueous phase. In high concentrations of ibuprofen, it moved to the central region of the lipid bilayer. At this concentration, the physical and structural properties of the cell membrane change significantly. Results from the radial distribution function analysis indicate that at low concentrations, ibuprofen molecules are situated close to the head groups of phosphate groups. However, at high concentrations of ibuprofen, these molecules move to the inner side of the lipid bilayer. In addition, our findings indicate that at low concentrations of ibuprofen, these molecules did not significantly alter the physical properties of the cell membrane. In contrast, at high concentrations of ibuprofen, the physical parameters of the hydrocarbon tails, such as thickness, fluidity, and order, changed dramatically. APL parameter for POPC membrane increased slightly to 0.60 and 0.63 nm2 in the presence of low and high concentrations of ibuprofen molecules. The three-step interaction between ibuprofen and the lipid bilayer involves several events, such as the movement of ibuprofen molecules towards the central region of the lipid bilayer and the deformation and alteration of the structural and stability properties of the cell membrane. These effects are observed only at high concentrations of ibuprofen. It appears that the side effects of ibuprofen overdose are related to changes in the properties of the cell membrane and, subsequently, the function of membrane-anchored target proteins.

Development and Evaluation of Polymeric Mixed Micelles Prepared using Hot-Melt Extrusion for Extended Delivery of Poorly Water-Soluble Drugs

The poor aqueous solubility is a well-recognized restriction for the clinical application of many drug molecules. Micelles delivery system provides a promising strategy for the solubility enhancement of hydrophobic drugs. This study developed and evaluated different polymeric mixed micelles prepared using hot-melt extrusion coupled hydration method to improve the solubility and extend the release of the model drug ibuprofen (IBP). The physicochemical properties of the prepared formulations were characterized in terms of particle size, polydispersity index, zeta potential, surface morphology, crystallinity, encapsulation efficiency, drug content, in vitro drug release, dilution stability, and storage stability. Soluplus®/poloxamer 407, Soluplus®/poloxamer 188, and Soluplus®/TPGS mixed micelles had average particle sizes of 86.2 ± 2.8, 89.6 ± 4.2, and 102.5 ± 3.13 nm, respectively with adequate encapsulation efficiencies of 80% to 92%. Differential scanning calorimetry studies confirmed that the IBP molecules were dissolved in the polymers in an amorphous state. The in vitro release results revealed that the IBP-loaded mixed micelles presented extended-release behavior compared to the free drug. In addition, the developed polymeric mixed micelles remained stable upon dilution and one-month storage. These results demonstrated that the hot-melt extrusion coupling hydration method could be a promising, effective, and environment-friendly manufacturing technique for the scale-up production of polymeric mixed micelles to deliver insoluble drugs.

Label-Free Digital Holotomography Reveals Ibuprofen-Induced Morphological Changes to Red Blood Cells.

Understanding the dose-dependent effect of over-the-counter drugs on red blood cells (RBCs) is crucial for hematology and digital pathology. Yet, it is challenging to continuously record the real-time, drug-induced shape changes of RBCs in a label-free manner. Here, we demonstrate digital holotomography (DHTM)-enabled real-time, label-free concentration-dependent and time-dependent monitoring of ibuprofen on RBCs from a healthy donor. The RBCs are segmented based on three-dimensional (3D) and four-dimensional (4D) refractive index tomograms, and their morphological and chemical parameters are retrieved with their shapes classified using machine learning. We directly observed the formation and motion of spicules on the RBC membrane when aqueous solutions of ibuprofen were drop-cast on wet blood, creating rough-membraned echinocyte forms. At low concentrations of 0.25-0.50 mM, the ibuprofen-induced morphological change was transient, but at high concentrations (1-3 mM) the spiculated RBC remained over a period of up to 1.5 h. Molecular simulations confirmed that aggregates of ibuprofen molecules at high concentrations significantly disrupted the RBC membrane structural integrity and lipid order but produced negligible effect at low ibuprofen concentrations. Control experiments on the effect of urea, hydrogen peroxide, and aqueous solutions on RBCs showed zero spicule formation. Our work clarifies the dose-dependent chemical effects on RBCs using label-free microscopes that can be deployed for the rapid detection of overdosage of over-the-counter and prescribed drugs.

Construction of beta-cyclodextrin modified holographic sensor for the determination of ibuprofen in plasma and urine

The drug abuse has become a worldwide social and medical problem. The development of drug-sensitive sensors is of vital importance to the point-of-care (POC) analysis, providing fast instructions for medical and forensic diagnosis. The holographic sensor as a feasible optical sensor shows merits of label-free, quantitative detection, reusability and continuous detection. In this work, we designed a beta-cyclodextrin (β-CD) modified holographic sensor which achieved two important sensing functions simultaneously, response to ibuprofen and then serve as an optical transducer. Via the host-guest interaction, ibuprofen could come into the cavity of β-CD with a high binding constant and stability. Due to the repulsion interaction among the ionized ibuprofen molecules and increased osmotic pressure in the polymer, the exterior water molecules came into the holographic polymer, enlarging the grafting spacing and inducing the red-shift in the reflection wavelength. When applied for the determination of ibuprofen in biological samples, the prepared functional holographic sensor showed good linearity, negligible matrix interference, fast response within 5 min, satisfactory precision and accuracy. The reflection wavelength could occur around 30 nm red-shift and its color obviously changed from green to red under the trigger of highly toxic concentration of ibuprofen which could be used for the POC diagnosis.

Water Maintains the UV-Vis Spectral Features During the Insertion of Anionic Naproxen and Ibuprofen into Model Cell Membranes.

UV-vis spectra of anionic ibuprofen and naproxen in a model lipid bilayer of the cell membrane are investigated using computational techniques in combination with a comparative analysis of drug spectra in purely aqueous environments. The simulations aim at elucidating the intricacies behind the negligible changes in the maximum absorption wavelength in the experimental spectra. A set of configurations of the systems constituted by lipid, water, and drugs or just water and drugs are obtained from classical Molecular Dynamics simulations. UV-vis spectra are computed in the framework of atomistic Quantum Mechanical/Molecular Mechanics (QM/MM) approaches together with Time-Dependent Density Functional Theory (TD-DFT). Our results suggest that the molecular orbitals involved in the electronic transitions are the same, regardless of the chemical environment. A thorough analysis of the contacts between the drug and water molecules reveals that no significant changes in UV-vis spectra are a consequence of ibuprofen and naproxen molecules being permanently microsolvated by water molecules, despite the presence of lipid molecules. Water molecules microsolvate the charged carboxylate group as expected but also microsolvate the aromatic regions of the drugs.

The Effect of Magnetic Composites (γ-Al2O3/TiO2/γ-Fe2O3) as Ozone Catalysts in Wastewater Treatment.

Using municipal sewage as a source of reclaimed water is an important way to alleviate the shortage of water resources. At present, advanced oxidation technology (AOPs), represented by ozone oxidation, is widely used in wastewater treatment. In this study, γ-Al2O3, a low-cost traditional ozone catalyst, was selected as the matrix. By modifying magnetic γ-Fe2O3 with a titanate coupling agent, in situ deposition, and calcination, the final formation of a γ-Al2O3/TiO2/γ-Fe2O3 micrometer ozone catalyst was achieved. A variety of material characterization methods were used to demonstrate that the required material was successfully prepared. The catalyst powder particles have strong magnetic properties, form aggregates easily, and have good precipitation and separation properties. Subsequently, ibuprofen was used as the degradation substrate to investigate the ozone catalytic performance of the prepared catalyst, and this proved that it had good ozone catalytic activity. The degradation process was also analyzed. The results showed that in the ozone system, some of the ibuprofen molecules will be oxidized to form 1,4-propanal phenylacetic acid, which is then further oxidized to form 1,4-acetaldehyde benzoic acid and p-phenylacetaldehyde. Finally, the prepared catalyst was applied to the actual wastewater treatment process, and it also had good catalytic performance in this context. GC-MS detection of the water samples after treatment showed that the types of organic matter in the water were significantly reduced, among which nine pollutants with high content, such as bisphenol A and sulfamethoxazole, were not detected after treatment.

Sequestration and toxicological assessment of emerging contaminants with polypyrrole modified carboxymethyl cellulose (CMC/PPY): Case of ibuprofen pharmaceutical drug

Ibuprofen (IBU) is a non-steroidal anti-inflammatory drug released into water bodies causing toxic biological effects on living organisms. The current study aims to eliminate IBU from aqueous solutions by a novel carboxymethylcellulose/polypyrrole (CMC/PPY) composite with high removal efficiency. Pyrrole was polymerized to polypyrrole whose average size was about 20 nm on the CMC surface. The maximum removal percentage of IBU by CMC/PPY composite was optimized at initial concentration 10 mg/L, dosage 0.02 g, and pH 7 with adsorption capacity of 72.30 (mg/g) and removal of 83.17 %. IBU adsorption onto CMC/PPY theoretically fits into the Langmuir isotherm and Elovich-kinetic models. Fish and Phytotoxicity assessment were performed with zebrafish and seeds of Vigna mungo (VM) and Vigna radiata (VR). The toxicity study reveals that before adsorption, IBU shows high toxicity towards the zebrafish mortality (33 %), growth inhibition (58.52 % for VM, 60.84 % for VR), and germination (86.66 % for VM and 90 % for VR). As CMC/PPY adsorbs IBU, toxicity drastically decreases. Before adsorption, LC50 was 233.02 mg/L. After adsorption, the LC50 increases to 2325.07 mg/L as IBU molecules get adsorbed by CMC/PPY. These findings show the feasibility of preparing CMC/PPY composite to effectively remove pharmaceutical pollutant IBU from aqueous solutions with their toxicological assessment.

Integrated Zr‐MOF/NH4TiOF3Bilayer Coating on Magnesium for Controllable Corrosion, Cytocompatibility, and Drug Delivery Multifunctionalities

AbstractMagnesium (Mg) and its alloys biodegrade safely in human body for implant applications. The major bottleneck inhibiting their clinical utilizations is the high corrosion rate. Modification with anticorrosive and bioactive coatings is an ideal strategy to break the bottleneck. In this study, a multifunctional coating constructed by Zr‐based metal–organic framework UiO‐66‐NH2(UiO) and ammonium trifluorotitanate NH4TiOF3(NTiF) bilayers (UiO/NTiF) is fabricated onto Mg matrix through facile solvothermal method. The inner NTiF layer can be designed to the adjustable crystal structure with different anticorrosion effects, realizing the controllable corrosion of Mg matrix. The outer UiO layer is capable to further boost the corrosion protection; meanwhile it endows the drug delivery property owing to the intramolecular porosity and functional groups of MOFs. The UiO/NTiF coating appears highly effective in controlling the corrosion and retaining the mechanical integrity of Mg matrix as well as maintaining high bonding integrity. The cytocompatibility assays demonstrate the enhanced cell adhesion, spreading and proliferation on UiO/NTiF coating. The loading/releasing behavior of ibuprofen molecule and density functional theory calculations are performed to investigate the drug delivery of UiO/NTiF coating. This study would shed valuable breakthroughs for design of functional coatings for biodegradable metals and promote extensive applications of MOFs in biomaterials.

Synthesis of Polymer-Derived Carbon for Ibuprofen Removal from Simulated Wastewater

Ibuprofen is a nonsteroidal anti-inflammatory drug classified as one of the emerging contaminants from the pharmaceuticals group. Ibuprofen detected in the environment indicates that wastewater treatment facilities have a limited ability to remove this substance. Residual ibuprofen that accumulates continuously can harm ecosystems in the waters and indirectly affect human health. Adsorption using porous material is a method that can reduce the amount of ibuprofen in wastewater. This research synthesized porous carbon by pyrolysis of phenolic polymer. The resulting material was then characterized using an N2-sorption analyzer, SEM, and XRD. After being characterized, the material was used to adsorb ibuprofen at various concentrations. SEM characterization showed that carbon had voids or channels for adsorbing ibuprofen molecules. N2-sorption analyzer delivered that the polymer-derived carbon has a specific surface area of about ​​594 m2 g-1. Based on the adsorption test result, the porous carbon could adsorb the ibuprofen molecules in the simulated wastewater well and followed the Freundlich equilibrium model.

Simultaneous removal of ibuprofen and bisphenol A from aqueous solution by an enhanced cross-linked activated carbon and reduced graphene oxide composite

Reduced graphene oxide-modified activated carbon (RGO/AC) composites are promising materials for organic micropollutant removal from aqueous systems. However, the complex preparation processes and usage of toxic chemicals limit their applications. Here, several green cross-linking reagents, such as an extract solution (ES) originating from fermented tubers and cereal wastes, are developed to enhance the cross-linking of AC and RGO. The reactivity of RGO/AC composites was evaluated for bisphenol A (BPA) and ibuprofen (IBP) adsorption from an aqueous solution in single and binary systems. The cross-linking speed and degree for AC and RGO by ES originating from fermented cassava (RGO/AC1) and wheat residues (RGO/AC2) are better than those obtained for natural ES. Characterization results show that the specific surface area of the RGO/AC composites increases with the cross-linking phenomenon. The RGO/AC composites show a higher BPA and IBP removal efficiency and capability than pristine AC. Moreover, the adsorption competence of BPA and IPB on the surface of RGO/AC composites in the binary system was low. The adsorption of BPA and IBP by AC/RGO is dominated by pseudo-second-order kinetics and Freundlich isotherms in both single and binary systems. Hydrophobic and electrostatic interactions are dominant between BPA, IBP molecules, and adsorbents.

White LED active α-Fe2O3/rGO photocatalytic nanocomposite for an effective degradation of tetracycline and ibuprofen molecules

The formation of phase pure magnetically separable α-Fe2O3 and α-Fe2O3/rGO nanostructures were achieved through a simple hydrothermal technique. The properties of synthesized materials were investigated through different analytical techniques. The formation of phase pure FO and FO/rGO nanostructures were confirmed by XRD analysis with crystallite size of about ∼42 nm and ∼65 nm, respectively. The morphological analysis reveals the formation of sphere-like nanoparticles with high agglomeration. The UV-DRS analysis clearly shows the enhanced visible-light activity of FO/rGO nanoparticles. The BET analysis revealed the mesoporous property of FO/rGO nanocomposite. The enhancement in the photoinduced charge transfer process is observed after including rGO nanoparticles with FO. The photocatalytic efficiency of nanomaterials was analyzed using tetracycline and ibuprofen as model organic pollutants under white LED irradiation. The enhanced photocatalytic degradation ability of FO/rGO nanocomposite is studied against both tetracycline and ibuprofen molecules.