Degradation Reaction Research Articles

Semirational Design Strategy To Enhance the Thermostability and Catalytic Activity of Cytochrome P450 105D7 for the Degradation of the Pharmaceutically Active Compounds: Diclofenac.

Pharmaceutically active compounds are an important category of emerging pollutants, and their biological transformation processes in the environment are crucial for understanding and evaluating the migration, transformation, and environmental fate of emerging pollutants. The cytochrome P450 105 enzyme family has been proven to play an important role in the degradation of exogenous environmental pollutants. However, its thermostability and catalytic activity still need to be improved to better adapt to complex environmental conditions. This work elucidates the key mechanisms and important residues of the degradation reaction through multiple computational strategies, establishes a mutation library, and obtains 21 single-point mutation designs. Experimental verification showed that 16 single mutants had enhanced thermostability, with the R89F and L197Y mutants showing the highest increases in thermostability at 135 and 119% relative to the wild-type enzyme, respectively. Additionally, as a result of the higher specific activity of D390Q, it was selected for combination mutagenesis, ultimately resulting in three combination mutants (R89F/L197Y, R89F/D390Q, and R89F/L197Y/D390Q) with enhanced thermostability and catalytic activity. This study provides a modification approach for constructing efficient enzyme variants through semirational design and can contribute to the development of control technologies for emerging pollutants.

Confined Water Dynamics in the Scaffolds of Polylactic Acid.

Resorbable polylactic acid (PLA) ultrathin fibers have been applied as scaffolds for tissue engineering applications due to their micro- and nanoporous structure that favor cell adhesion, besides inducing cell proliferation and upregulating gene expression related to tissue regeneration. Incorporation of multiwalled carbon nanotubes into PLA fibers has been reported to increase the mechanical properties of the scaffold, making them even more suitable for tissue engineering applications. Ideally, scaffolds should be degraded simultaneously with tissue growth. Hydration and swelling are factors related to scaffold degradation. Hydration would negatively impact the mechanical properties since PLA shows hydrolytic degradation. Water absorption critically affects the catalysis and allowance of the hydrolysis reactions. Moreover, either mass transport and chemical reactions are influenced by confined water, which is an unexplored subject for PLA micro- and nanoporous fibers. Here, we probe and investigate confined water onto highly porous PLA microfibers containing few amounts of incorporated carbon nanotubes by Fourier transform infrared (FTIR) spectroscopy. A hydrostatic pressure was applied to the fibers to enhance the intermolecular interactions between water molecules and C=O groups from polyester bonds, which were evaluated over the wavenumber between 1600 and 2000 cm-1. The analysis of temperature dependence of FTIR spectra indicated the presence of confined water which is characterized by a non-Arrhenius to Arrhenius crossover at T0 = 190 K for 1716 and 1817 cm-1 carbonyl bands of PLA. These bands are sensitive to a hydrogen bond network of confined water. The relevance of our finding relies on the challenge detecting confined water in hydrophobic cavities as in the PLA one. To the best of our knowledge, we present the first report referring the presence of confined water in a hydrophobic scaffold as PLA for tissue engineering. Our findings can provide new opportunities to understand the role of confined water in tissue engineering applications. For instance, we argue that PLA degradation may be affected the most by confined water. PLA degradation involves hydrolytic and enzymatic degradation reactions, which can both be sensitive to changes in water properties.

Construction of flexible BiOBr/W18O49/polyacrylonitrile discrete heterojunction nanofibers as a dual-functional photocatalyst for simultaneous hydrogen evolution and organic pollutant degradation

Dual-functional photocatalysis has attracted increasing attention due to its ability to achieve efficient synergistic hydrogen (H2) evolution and pollutant removal. Energy band structure engineering and surface morphology modification of photocatalysts is a useful strategy to improve the activity of photocatalysis. This paper uses a combination of electrospinning technology and hydrothermal method to prepare flexible BiOBr/W18O49/PAN discrete heterojunction flexible nanofibers (NFs) with staggered energy bands and spatially separated redox surfaces. The BiOBr/W18O49 heterojunction can improve carrier separation and migration, as evidenced by the photoluminescence and photoelectrochemical experiments. The localized surface plasmon resonance (LSPR) effect of W18O49 can achieve injection of “hot electrons” and lead to expanding the light absorption range according to the UV–visible-near infrared diffuse reflection spectra results. The discrete structure of BiOBr/W18O49/PAN NFs can provide spatially separated active sites for simultaneous photocatalytic redox reaction. As expected, the BiOBr/W18O49/PAN discrete heterojunction NFs greatly enhance the photocatalytic activity in simultaneous dual-functional reaction for H2 evolution and RhB degradation. The highest simultaneous H2 evolution rate and RhB degradation rate of BiOBr/W18O49/PAN NFs are 31.7 times and 34.1 times of BiOBr/PAN, respectively. The design and construction of this flexible discrete heterojunction NFs structures can provide novel ideas and directions for simultaneous dual-functional photocatalysts.

Synthesis and application of Cu-CaTiO3-GO ternary composite: A new visible-light active multifunctional photocatalyst efficient towards antibiotic cefixime degradation and H2 evolution reaction

To combat the issues of energy scarcity and environmental pollution, a visible-light responsive, ternary photocatalyst (Cu-CaTiO3-GO) was fabricated, by photo-depositing Cu nanoparticles over a CaTiO3-GO binary composite. The physicochemical characteristics of Cu-CaTiO3-GO were investigated using XRD, HR-TEM, FE-SEM, EDS-mapping XPS, Raman, FT-IR, BET, EIS, UV–vis DRS, and PL techniques. In comparison with pristine CaTiO3, and binary composites (Cu-CaTiO3, CaTiO3-GO), the ternary hybrid exhibited superior photocatalytic activity for H2generation as well as antibiotic cefixime (CFX) degradation. Under LED light, the rate of H2 generation over Cu-CaTiO3-GO accumulated to 57.69 mmolh−1, while the photodegradation efficiency for CFX reached 94.1 % in 100 min with 53.4 % of TOC removal. The upgraded performance is credited to synergistic effects of Cu NPs (SPR effect), CaTiO3 (specialized cuboid-like morphology), and GO (high conductivity), co-existing in the trio-hybrid, which resulted in a greatly increased surface area, an expanded spectral response range, a stronger adsorption property, efficient charge migration and separation extent. Ternary catalyst performed well even in the 4 recycling tests (retaining 79.4 % CFX removal and 52.51 mmolh−1 H2 evolution efficiency). In Cu-CaTiO3-GO system, the electron transport channel (Cu → CaTiO3 → GO) with adequate band potentials effectively supports both photocatalytic oxidation and reduction. Photoelectrons are enriched and transferred by plasmonic Cu, and then captured by GO, an e- sink. This maximizes composite photo redox capability, rapidly generating active radicals (OH), and (O2-), degrading CFX to simpler molecules and reducing proton to H2. The effectiveness of Cu-CaTiO3-GO was even tested in the real water matrices. Besides, degradation intermediates of CFX were elucidated using LC-MS, and the decomposition pathway was suggested. Finally, the probable photocatalytic reaction mechanism was deduced for both the degradation and H2 generation processes. The current study proposes a non-noble transition metal-based perovskite-type photocatalytic material for both clean energy generation and wastewater treatment.

Anti-IL-17 bioactivity-guided fractionation of a pine bio-oil: Chemical characterization and impact on HaCaT human keratinocytes gene expression

Psoriasis is a dermatological inflammatory disease treated for centuries with pyrolytic pine bio-oils (pine tars), although their chemical composition and mechanism of action are poorly investigated. This study focuses on the fractionation of a standardized pine pyrolysis bio-oil, its chemical characterization (GC–MS, UV fluorescence, ESI-MS, and NMR), and the analysis of the anti-IL17 activity of fractions on HaCaT keratinocytes. Furthermore, the impact of the fraction showing the highest anti-IL-17 activity on keratinocyte gene expression was determined. Pine bio-oil comprises molecules derived from cellulose, hemicellulose, and lignin thermochemical degradation reactions, such as hydroxyacetaldehyde, levoglucosan, acetic acid, and phenols. The aqueous fraction exhibited the most consistent anti-IL-17 activity. The functional analysis suggested that this fraction affected the expression of 29 genes associated with the negative regulation of the mitogen-activated protein kinase (MAPK) activity, a pathway known for its crucial role in the inflammatory immune response.

Supported heterogeneous catalyst of the copper oxide nanoparticles and nanozeolite for binary dyes mixture degradation: Machine learning and experimental design

The present work aims to evaluate the photocatalytic activity of an alternative supported nanocatalyst (nANA@CuO-NPs) for a binary dye mixture (Crystal Violet and Methylene Blue, labeled CV:MB) under visible light and study to propose a model to predict the reaction pathway for the process. An experimental design (Central Composite Rotational Design with 3 factors and 2 levels – CCRD 23) was proposed to evaluate the ideal condition of the CV/MB photodegradation and four machine learning algorithms (Decision Tree, Random Forest, Xtreme Gradient Boosting and Artificial Neural Network-Multilayer Perceptron) were used to predict the main degradation products. The supported nanocatalyst was characterized by X-ray diffraction (XRD), Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) spectroscopy, N2 porosimetry, Diffuse Reflectance Spectroscopy (DRS), Field Emission Gun – Scanning Electron Microscope (FEG-SEM), Scanning electron microscopy (SEM) with energy dispersive X-ray spectroscopy (EDX), zeta potential (ZP) and zero charge point (pHZCP). XRD diffractogram of the nANA@CuO-NPs showed the tenorite and analcime phases with crystallite size and microstrain ranging from 0.319 to 22.35 nm and 6.48–454 × 10−3. ATR-FTIR spectra indicated the presence of functional groups characteristic of copper oxide nanoparticles (CuO-NPs) and nanozeolite analcime (nANA) on the supported catalyst, confirming the impregnation method. SEM micrographs indicated a heterogeneous surface with clusters (CuO-NPs and nANA@CuO-NPs) and homogenous surface for nANA, while the EDX showed the nANA with Si/Al < 2 (low-silica nanozeolite) and nANA@CuO-NPs with the presence in the elemental composition of the catalytic support (nANA) and the photoactive phase (CuO-NPs). Supported nanocatalyst showed physio-chemical stability due to the electrostatic interactions (ZP = 51.5 ± 0.5 mV) and band gap energy (Eg) of the 1.67 eV allowing its applicability under visible radiation. XGB algorithm resulted in the best predictive model (R2 equals 0.8106 and 0.9880 for training and testing, RMSE < 6.0), confirming the obtention of carbon dioxide (m/z = 44), water (m/z = 18) and low-molar mass compounds at the final of the binary dye mixture degradation reaction. The ideal condition for the by CCRD 23 for the degradation of the dye mixture was [CV:MB] = 135 mg/L, [nANA@CuO-NPs] = 1 g/L and pH = 7 with 82.84 % (k = 0.0089 min−1). Therefore, the synthesized nanocatalyst proved its good photocatalytic activity toward a cationic dye mixture of CV and MB dyes. Furthermore, this work confirms the potentiality of machine learning algorithms to develop predictive models for the elucidation of the degradation reaction pathway of organic dyes.

Kinetics and mechanism analysis of advanced oxidation degradation of PFOA/PFOS by UV/Fe3+ and persulfate: A DFT study

UV/Fe3+ and persulfate are two promising advanced oxidative degradation systems for in situ remediation of perfluorooctanoic acid (PFOA) and perfluorooctane sulfonate (PFOS), yet a lack of comprehensive understanding of the degradation mechanisms. For the first time, we used density functional theory (DFT) to calculate the entire reaction pathways of the degradation of PFOA/PFOS in water by UV/Fe3+ and persulfate. In addition, we have deeply explored the different attack pathways driven by •OH and SO4−•, and found that SO4−• determines PFOA/PFOS to obtain PFOA/PFOS free radicals through single electron transfer to initiate the degradation reaction, while •OH determines the speed of PFOA/PFOS degradation reaction. Both degradation reactions were thermodynamically advantageous and kinetically feasible under calculated conditions. Based on the thermodynamic data, persulfate was found to be more favorable for the advanced oxidative degradation of Perfluorinated compounds (PFCs). Moreover, for SO4−• and •OH co-existing in the persulfate system, pH will affect the presence and concentration of these two types of free radicals, and low pH is not necessary for the degradation of PFOA/PFOS in the persulfate system. These results can considerably advance our understanding of the PFOA/PFOS degradation process in advanced oxidation processes (AOPs), which is driven by •OH and SO4−•. This study provides a DFT calculation process for the mechanism calculation of advanced oxidation degradation of other types of PFCs pollutants, hoping to elucidate the future development of PFCs removal. Further research should focus on determining the advanced oxidation degradation pathways of other types of PFCs, to support the development of computational studies on the advanced oxidation degradation of PFCs.

Catalytic Degradation Efficacy of Silver Nanoparticles Fabricated Using Actinidia deliciosa Peel Extract

The preparation of metallic nanoparticles using green synthetic approaches and its application toward the efficient degradation of environmentally hazardous dyes constitutes an attractive alternative to currently employed methods. In the current report, the green synthesis of silver nanoparticles (AgNPs) was successfully achieved using Actinidia deliciosa (kiwifruit) peel aqueous extract as a bioreducing agent under optimized synthesis conditions. The experimental parameters were optimized in terms of reactant ratio, reaction temperature, and reaction time. The biogenic nanoparticles exhibited SPR absorption band at λmax 480 nm. Transmission electron microscopy (TEM) and scanning electron microscopy (SEM) images revealed quasispherical monodisperse nanoparticles which were 36 nm in diameter. The hydrodynamic diameter of the nanoparticles was 106 nm as determined by dynamic light scattering, and the highly negative ζ-potential (−34 mV) supported its superior colloidal stability. Energy dispersive X-ray confirmed that silver is a major constituent of the nanoparticles. X-ray diffraction (XRD) diffractograms confirmed the crystallinity of the nanoparticles and its face-centered cubic (fcc) lattice structure. The functional groups in the plant’s phytochemicals facilitating the reduction of Ag+ ions and stabilization of the formed AgNPs were identified by fourier transform infrared (FTIR) spectroscopy. In specific, the bands in the FTIR spectra at 3,412, 1,618, 1,419, and 1,237 cm−1 suggested the presence of phenolic compounds. Phytochemical analysis by colorimetric assays revealed that the kiwifruit peel extract was rich in phenolic compounds. When evaluated in the catalytic degradation of organic dyes, the biosynthesized AgNPs induced instant and complete discoloration of the methylene blue dye when 1.6 mg of nanoparticles was used. At a lower dose of AgNPs (0.4 mg), 80% degradation of the dye occurred after 3 hr of treatment. The degradation reaction followed second-order kinetics with a rate constant of 0.01083 mM−1s−1. The current study highlights the immense potential of the prepared nanoparticles as efficient catalysts for the degradation of hazardous organic dyes such as methylene blue and presents an intriguing argument for investigating the catalytic efficiency of the biogenic AgNPs for the degradation of other structurally different dye pollutants.

Insight on magnetic nitrogen-doped graphene oxide composite electrode constructing heterogeneous Electro-Fenton system for treating organophosphorus pesticide wastewater

The treatment of organic phosphorus pesticide (OPP) wastewater faces challenges such as incomplete degradation and low reaction efficiency. While heterogeneous electro-Fenton (Hetero-EF) has emerged as the preferred technology for addressing these issues due to its high treatment efficiency, further optimization is still necessary. This study used a one-pot hydrothermal method to prepare magnetic nitrogen-doped graphene oxide (Fe3O4@N-GO) composite electrodes to construct a novel Hetero-EF system. Dimethoate (DIM) was chosen as the representative pollutant to investigate the effects of parameters such as current density, pH, electrode spacing, and loading amount on degradation efficiency. The results demonstrated complete degradation of DIM within 40 min. Density functional theory (DFT) calculations and intermediate product analysis revealed that the reactive sites for DIM degradation were the P=S and P=S bonds, involving both hydrolysis and •OH pathways, with a decrease in toxicity of degradation products observed. Compared to graphite electrodes, Fe3O4@N-GO composite electrodes significantly increased H2O2 production, achieving complete DIM degradation even after 5 cycles, with a phosphate conversion rate of 30–40 %. This study highlights the innovative strategy of the Hetero-EF system in its significant application value for OPP treatment.

Enhanced visible light degradation of harmful substances in wastewater by WO3/g-C3N4 heterostructured nanoparticles

The shape and energy of the photocatalyst are proven to have an impact on its photocatalytic activity. The purpose of this research is to use chemical bath deposition (CBD) technology and combine it with annealing to synthesize the WO3/g-C3N4 composite material for visible light-induced photocatalytic. A series of experiments were performed to confirm the effectiveness of the WO3/g-C3N4 photocatalyst and to study its optical chemical catalytic performance by studying the degradation reactions of metronidazole (a colorless antibiotic commonly found in a water system). These observations show that compared with each single component, WO3/g-C3N4 heterogeneous structure has an excellent enhancement in optical catalytic activity.

Efficient photocatalytic degradation of perfluorooctanoic acid by bismuth nanoparticle modified titanium dioxide

Perfluorooctanoic acid (PFOA) is potentially toxic and exceptionally stable attributed to its robust CF bond, which is hard to be removed by UV/TiO2 systems. In this research, bismuth nanoparticle (Bi NP) modified titanium oxides (Bi/TiO2) were synthesized by a simple photochemical deposition-calcination method and were applied as photocatalysts for the first time to degrade PFOA. The removal rate of 50 mg/L PFOA reached 99.3 % with 58.6 % defluorination rate after 30 min of irradiation via a mercury lamp. Bi/TiO2 exhibited superior performance in PFOA degradation compared to commercial photocatalysts (TiO2, Ga2O3, Bi2O3 and In2O3). In addition, Bi/TiO2 showed high degradation activity under actual sunlight, achieved 100 % removal rate and 59.3 % defluorination rate within 2 h. Bi NPs increase the light trapping ability of Bi/TiO2 and promote the separation of photogenerated electron-hole pairs via local surface plasmon resonance (LSPR) effect, which results in more photogenerated holes (h+) and hydroxyl radicals (OH). Combined with DFT calculations and intermediate detections, the degradation reaction is initiated from the oxidation of the PFOA carboxyl group via h+, followed by the loss of the CF2 unit step by step with the participation of OH. This work presents a novel approach for the practical implementation of TiO2-based photocatalysts to achieve highly efficient photocatalytic degradation of perfluorocarboxylic acids (PFCAs).

Ag nanofilm enhanced S-type Ag@AgCl/tubular g-C3N4/Ti photoanode visible light response photocatalytic fuel cell

In this study, based on Ag@AgCl/tubular g-C3N4 (Ag@AgCl/TCN) composite, Ag nanoparticles were deposited on its surface to form Ag nanofilm enhanced composite through photoreduction of excessive silver nitrate solution to obtain Ag nanofilm Ag@AgCl/TCN photocatalyst. Finally, Ag nanofilm Ag@AgCl/TCN/Ti photoanode was successfully prepared by silica-sol drop-coating method, and assembled with Cu2O/Cu cathode to construct a photocatalytic fuel cell (PFC). Ag nanofilm can not only enhance the light absorption and utilization of Ag@AgCl/TCN/Ti, but also extend its light response wavelength to visible light, and be used as an electron transfer medium to reduce internal resistance. The photocurrent density and the photoconversion efficiency of the Ag nanofilm/Ag@AgCl/TCN/Ti are 8.01 mA·cm−2 and 1.24%, respectively, which are 2.49 and 2.54 times those of the Ag@AgCl/TCN/Ti photoanode, respectively. The first-order kinetic constant and the maximum power density of the Ag nanofilm-coated Ag@AgCl/TCN/Ti-Cu2O/Cu PFC system are 0.064 min−1 and 46.37 μW·cm−2, respectively, which are 1.39 and 1.94 times those of the Ag@AgCl/TCN-Cu2O/Cu PFC system, respectively. In addition, it degraded more than 95% of rhodamine B, 72.68% of tetracycline and 54.25% of bisphenol A within 60 min. The excellent performance of Ag nanofilm/Ag@AgCl/TCN/Ti-Cu2O/Cu is due to the strengthening of Ag nanofilm and the formation of S-type heterojunctions between AgCl and TCN. Free radicals (•Cl, h+, •OH, •O2-) and non-radicals (1O2) are involved in the degradation reaction of RhB degradation. It is worth noting that 6% Ag nanofilm/Ag@AgCl/TCN/Ti-Cu2O/Cu has a positive effect on the production of •O2-, and its output is approximately 1.89 times that of the Ag@AgCl/TCN/Ti-Cu2O/Cu. A series of material characterization experiments have been completed and possible mechanisms of operation have been proposed. This study provides a new scheme for the design and preparation of high-efficiency photoanode of PFC.

Triazine-containing porous organic polymers from Diels-Alder reactions for efficient molecular adsorption and photocatalytic degradation

As a reversible and simple synthetic strategy, Diels-Alder (DA) reactions were recently exploited for the construction of porous organic polymers (POPs) with diverse structures and functions, which hold the promise to synthesize functional POPs in large scale. However, these methods typically need high polymerization temperature, and the structural diversity is limited for their practical applications. In this work, a series of DA-POPs were successfully synthesized via the Diels-Alder reactions of furan- and alkynyl-functionalized monomers. To reduce the activation energy of the reaction, we introduced 1,3,5-triazine moiety to alkynyl-functionalized monomers, which substantially lowered the polymerization temperature to 120 °C. Leveraging the reported photoelectric activity from triazine moiety, we applied these POPs materials to the adsorption and photocatalytic degradation of the organic dye Rhodamine B, exhibiting remarkable adsorption and degradation ability. Photophysical tests further elucidated the degradation mechanism and corroborated the photocatalytic application potential of these DA-POPs. This work brings a new synthetic strategy for the elaboration of POPs for reducing environmental pollution via photocatalytic waste degradation.

Modeling Maillard reaction kinetics in spray dryers using both lumped‐ and distributed‐parameter modeling approaches

AbstractThis study aimed to develop a simulation model for the kinetics of Maillard reactions during the spray‐drying process of model systems. Two different modeling approaches were used: lumped‐parameter and distributed‐parameter models. The reaction kinetic model was developed by fitting experiment results from iso‐thermal heating experiments with different model systems at various temperatures and moisture contents with Arrhenius‐type equations. The developed reaction kinetic models were coupled with drying kinetics and segregation models adopted from previous studies. The prediction results from the models developed were then compared with those from spray‐drying experiments, and both modeling approaches showed a reasonable agreement with the experimental data. The distributed parameters modeling approach showed a 17.7% improvement in sum of square errors compared to the traditional lumped‐distributed modeling approach.Practical ApplicationsTwo different mathematical models with different approaches were developed and have shown reasonable performance in predicting the kinetics of Maillard reactions in spray drying. The models developed in this study can be used to improve the spray‐drying process of thermally sensitive products where Maillard reaction or other types of thermal degradation may occur.

Shaping a greener future: The role of geopolitical risk, renewable energy and financial development on environmental sustainability using the LCC hypothesis

The recent progress report of Sustainable Development Goals (SDG) 2023 highlighted the extreme reactions of environmental degradation. This report also shows that the current efforts for achieving environmental sustainability (SDG 13) are inadequate and a comprehensive policy agenda is needed. However, the present literature has highlighted several determinants of environmental degradation but the influence of geopolitical risk on environmental quality (EQ) is relatively ignored. To fill this research gap and propose a inclusive policy structure for achieving the sustainable development goals. This study is the earliest attempt that delve into the effects o of geopolitical risk (GPR), financial development (FD), and renewable energy consumption (REC) on load capacity factor (LCF) under the framework of load capacity curve (LCC) hypothesis for selected Asian countries during 1990–2020. In this regard, we use several preliminary sensitivity tests to check the features and reliability of the dataset. Similarly, we use panel quantile regression for investigating long-run relationships. The factual results affirm the existence of the LCC hypothesis in selected Asian countries. Our findings also show that geopolitical risk reduces environmental quality whereas financial development and REC increase environmental quality. Drawing from the empirical findings, this study suggests a holistic policy approach for achieving the targets of SDG 13 (climate change).

Unveiling the Role of Termination Groups in Stabilizing MXenes in Contact with Water.

MXenes are versatile 2D materials demonstrating outstanding electrochemical and physical properties, but their practical use is limited, because of fast degradation in an aqueous environment. To prevent the degradation of MXenes, it is essential to understand the atomistic details of the reaction and to identify active sites. In this letter, we provided a computational analysis of the degradation processes at the interface between MXene basal planes and water using enhanced sampling ab initio molecular dynamics simulations and symbolic regression analysis. Our results indicate that the reactivity of Ti sites toward the water attack reaction depends on both local coordination and chemical composition of the MXene surfaces. Decreasing the work function of the Ti3C2Tx surfaces and avoiding Ti sites that are loosely anchored to the subsurface (e.g., O-coordinated) can improve surface stability. The developed computational framework can be further used to investigate other possible culprits of the degradation reaction, including the role of defects and edges.

Rational Design and Synthesis of Fe-Doped Co-Based Coordination Polymer Composite Photocatalysts for the Degradation of Norfloxacin and Ciprofloxacin.

The solar light-responsive Fe-doped Co-based coordination polymer (Fe@Co-CP) photocatalyst was synthesized under mild conditions. [Co(4-padpe)(1,3-BDC)]n (Co-CP) was first constructed using mixed ligands through the hydrothermal method. Then, Fe was introduced into the Co-CP framework to achieve the enhanced photocatalytic activity. The optimal Fe@Co-CP-2 exhibited excellent catalytic degradation performance for norfloxacin and ciprofloxacin under sunlight irradiation without auxiliary oxidants, and the degradation rates were 91.25 and 92.66% in 120 min. These excellent photocatalytic properties were ascribed to the generation of the Fe-O bond, which not only enhanced the light absorption intensity but also accelerated the separation efficiency of electrons and holes, and hence significantly improved the photocatalytic property of the composites. Meanwhile, Fe@Co-CP-2 displayed excellent stability and reusability. In addition, the degradation pathways and intermediates of antibiotic molecules were effectively analyzed. The free radical scavenging experiment and ESR results confirmed that •OH, •O2-, and h+ active species were involved in the catalytic degradation reaction; the corresponding mechanisms were deeply investigated. This study provides a fresh approach for constructing Fe-doped Co-CP-based composite materials as photocatalysts for degradation of antibiotic contaminants.

Percarbonate activation by N-doped polyethylene terephthalate (PET)-derived carbon: The role of vacancy and insights into the mechanism

Percarbonate-based advanced oxidation processes catalyzed by carbon materials from plastic waste are rarely reported and lack clarity in their mechanisms. We synthesized N-doped polyethylene terephthalate (PET)-derived carbon materials with surface areas of up to 2190.9 m2/g and nitrogen/oxygen vacancies via urea-assisted pyrolysis. These materials exhibited exceptional adsorption and catalytic activities in a Fenton-like reaction for tetracycline degradation. The N-doped PET-derived catalyst (NPETK-800) achieved a 95 % removal efficiency for tetracycline at 50 mg/L, attributed to synergistic adsorption and oxidation effects via sodium percarbonate activation. NPETK-800 underwent surface hydroxylation through the electrostatic adsorption of OH− from CO32− hydrolysis on N and O vacancies, and its hydroxylated surface converted the adsorption mode of H2O2 to a H-bonded structure. This mode favored cleaving the OH bond over the OO bond in H2O2, generating 1O2 and O2−, crucial for tetracycline degradation. This study unveils the pivotal role of vacancies in tuning the generation of reactive oxygen species in Fenton-like reactions.

In vitro corrosion and cytocompatibility of Mg-Zn-Ca alloys coated with FHA

In the field of orthopedics, it’s crucial to effectively slow down the degradation rate of Mg alloys. This study aims to improve the degradation behavior of Mg-Zn-Ca alloys by electrodepositing fluorohydroxyapatite (FHA). We investigated the microstructure and bond strength of the deposition, as well as degradation and cellular reactions. After 15–30 days of degradation in Hanks solution, FHA deposited alloys showed enhanced stability and less pH change. The strong interfacial bond between FHA and the Mg-Zn-Ca substrate was verified through scratch tests (Critical loads: 10.73 ± 0.014 N in Mg-Zn-0.5Ca alloys). Cellular studies demonstrated that FHA-coated alloys exhibited good cytocompatibility and promoted the growth of MC3T3-E1 cells. Further tests showed FHA-coated alloys owed improved early bone mineralization and osteogenic properties, especially in Mg-Zn-0.5Ca. This research highlighted the potential of FHA-coated Mg-Zn-0.5Ca alloys in orthopedics applications.

Synthesis of rGO-Supported NiCo2O4/NiS nanocomposite for effective degradation of diclofenac and bromophenol blue

The removal of organic effluents from polluted water is a significant concern. Photodegradation of organic effluents can be performed using different photocatalysts. For this purpose, herein nickel cobaltite (NC) was prepared via the auto moisturization route and nickel sulfide (NS) via a hydrothermal approach. rGO-based nanocomposite (NC/NS/rGO) was synthesized using an ultrasonication approach. The as-prepared nanocatalysts were employed for bromophenol blue and diclofenac degradation. The outcomes of colored (bromophenol blue) effluent degradation by NC, NS, NC/NS, and NC/NS/rGO was found to be 42.65 %, 33.92 %, 56.19 %, and 81.44 %, respectively. The % degradation of diclofenac by NC/NS and NC/NS/rGO was realized to be 44.05 % and 65.98 %, respectively. NC/NS/rGO showed greater catalytic activity than other fabricated nanocatalysts due to the combined effect of nickel cobaltite and nickel sulfide and the existence of rGO. The rGO layers exhibited immense and active sites for the degradation reaction. A radical trapping analysis was performed to investigate the participation of active species in the photocatalytic reaction.