Low-toxicity natural pyrite on electro-Fenton catalytic reaction in a wide pH range.

The resource utilization of natural pyrite not only reduces secondary pollution but also brings certain environmental benefits. However, the green and efficient use of pyrite presents certain challenges. In this study, a novel electro-Fenton (EF) system was constructed utilizing copper modified graphite felt (GF/Cu) as cathode and natural pyrite (com-FeS2) as catalyst. The results demonstrated that the system exhibited a remarkable stability over an extensive pH range (3.0-10.0) and remained effective even under adverse environmental conditions, such as high salinity or elevated antibiotic concentration. After optimizing the reaction conditions, 0.2 mM sulfamerazine (SMZ) was almost completely degraded within 1.5 h. The results highlighted the catalytic role of Fe(II) on the com-FeS2 surface. Combined with quenching experiments and quantitative analysis of reactive oxygen species (ROS), the removal of SMZ was primarily attributed to the generation of •OH, ordered by 1O2 > â€¢O2- > â€¢OHads, a possible degradation pathway was proposed by HR-LC-MS. The biological toxicity after the reaction was detected, and the introduction of polyvinylpyrrolidone (PVP) was beneficial to reduce the biological toxicity of iron dissolution. This work provides new insights into the green and efficient resource utilization of natural pyrite and significantly expands the pH applicability range of the Fenton process, demonstrating the large-scale industrial application potential of pyrite.

On Interactions of Sulfamerazine with Cyclodextrins from Coupled Diffusometry and Toxicity Tests.

This scientific study employs the Taylor dispersion technique for diffusion measurements to investigate the interaction between sulfamerazine (NaSMR) and macromolecular cyclodextrins (ß-CD and HP-ß-CD). The results reveal that the presence of ß-CD influences the diffusion of the solution component, NaSMR, indicating a counterflow of this drug due to solute interaction. However, diffusion data indicate no inclusion of NaSMR within the sterically hindered HP-ß-CD cavity. Additionally, toxicity tests were conducted, including pollen germination (Actinidia deliciosa) and growth curve assays in BY-2 cells. The pollen germination tests demonstrate a reduction in sulfamerazine toxicity, suggesting potential applications for this antimicrobial agent with diminished adverse effects. This comprehensive investigation contributes to a deeper understanding of sulfamerazine-cyclodextrin interactions and their implications for pharmaceutical and biological systems.

Efficient degradation of sulfonamides by introducing sulfur to magnetic Prussian blue analog in photo-assisted persulfate oxidation system.

The peroxynitrite photocatalytic degradation system was considered a green, convenient, and efficient water treatment process, but not satisfying against some antibiotics, e.g. sulfonamides (SAs). To improve the photocatalytic degradation efficiency of SAs, sulfur was introduced to a magnetic Fe-MOF (Fe-metal organic framework) Prussian blue analog to achieve a heteroatomic material CuFeO@S, which was applied in heterogeneous visible light photo-assisted catalytic process with persulfate (PS) as an oxidant. The characterization results of CuFeO@S by XRD and XPS confirmed the presence of Fe3O4 (for magnetic separation), Cu+ (for activation of PS) and S2- (for narrowing the energy band and prolonging the lifetime of photo-generated electronics). Through systematic optimization of reaction conditions in CuFeO@S + PS + hv system, efficient degradation of four tested SAs was achieved in 30 min (removal rate of 97-100% for the tested 4 SAs). Moreover, the material could be magnetically recycled and reused for over 7 cycles with a removal rate of >90% for sulfamerazine. Furthermore, the removal rate of sulfamerazine in pond water reached 99% at a mineralization rate of about 34% (decrease in total organic matter), demonstrating its potential in the treatment of antibiotic-containing wastewater.

Structure Activity Relationship and Molecular Docking of Some Quinazolines Bearing Sulfamerazine Moiety as New 3CLpro, cPLA2, sPLA2 Inhibitors.

The current work was conducted to synthesize several novel anti-inflammatory quinazolines having sulfamerazine moieties as new 3CLpro, cPLA2, and sPLA2 inhibitors. The thioureido derivative 3 was formed when compound 2 was treated with sulfamerazine. Also, compound 3 was reacted with NH2-NH2 in ethanol to produce the N-aminoquinazoline derivative. Additionally, derivative 4 was reacted with 4-hydroxy-3-methoxybenzaldehyde, ethyl chloroacetate, and/or diethyl oxalate to produce quinazoline derivatives 5, 6, and 12, respectively. The results of the pharmacological study indicated that the synthesized 4-6 and 12 derivatives showed good 3CLpro, cPLA2, and sPLA2 inhibitory activity. The IC50 values of the target compounds 4-6, and 12 against the SARS-CoV-2 main protease were 2.012, 3.68, 1.18, and 5.47 µM, respectively, whereas those of baicalein and ivermectin were 1.72 and 42.39 µM, respectively. The IC50 values of the target compounds 4-6, and 12 against sPLA2 were 2.84, 2.73, 1.016, and 4.45 µM, respectively, whereas those of baicalein and ivermectin were 0.89 and 109.6 µM, respectively. The IC50 values of the target compounds 4-6, and 12 against cPLA2 were 1.44, 2.08, 0.5, and 2.39 µM, respectively, whereas those of baicalein and ivermectin were 3.88 and 138.0 µM, respectively. Also, incubation of lung cells with LPS plus derivatives 4-6, and 12 caused a significant decrease in levels of sPLA2, cPLA2, IL-8, TNF-α, and NO. The inhibitory activity of the synthesized compounds was more pronounced compared to baicalein and ivermectin. In contrast to ivermectin and baicalein, bioinformatics investigations were carried out to establish the possible binding interactions between the newly synthesized compounds 2-6 and 12 and the active site of 3CLpro. Docking simulations were utilized to identify the binding affinity and binding mode of compounds 2-6 and 12 with the active sites of 3CLpro, sPLA2, and cPLA2 enzymes. Our findings demonstrated that all compounds had outstanding binding affinities, especially with the key amino acids of the target enzymes. These findings imply that compound 6 is a potential lead for the development of more effective SARS-CoV-2 Mpro inhibitors and anti-COVID-19 quinazoline derivative-based drugs. Compound 6 was shown to have more antiviral activity than baicalein and against 3CLpro. Furthermore, the IC50 value of ivermectin against the SARS-CoV-2 main protease was revealed to be 42.39 µM, indicating that it has low effectiveness.

ZnO and Au nanoparticles supported highly sensitive and selective electrochemical sensor based on molecularly imprinted polymer for sulfaguanidine and sulfamerazine detection.

This study aimed to develop a molecularly imprinted polymer (MIP) sensor using electropolymerization of thiophene acetic acid monomer around template molecules, sulfaguanidine (SGN) and sulfamerazine (SMR), for selective and sensitive detection of both antibiotics. Au nanoparticles were then deposited on the modified electrode surface, and SGN and SMR were extracted from the resulting layer. Surface characterization, changes in the oxidation peak current of both analytes, and investigation of the electrochemical properties of the MIP sensor were examined using scanning electron microscopy, cyclic voltammetry, and differential pulse voltammetry. The developed MIP sensor with Au nanoparticles showed a detection limit of 0.030 µmol L-1 and 0.046 µmol L-1 for SGN and SMR, respectively, with excellent selectivity in the presence of interferents. The sensor was successfully used for SGN and SMR analysis in human fluids, including blood serum and urine, with excellent stability and reproducibility.

The characteristics of CDOM structural composition and the effect on indirect photodegradation of sulfamerazine.

Sulfamerazine (SM) is a commonly used antibiotic and have been widely used to control various bacterial infectious diseases. The structural composition of colored dissolved organic matter (CDOM) is known to be a major factor that influences the indirect photodegradation of SM, yet the influence mechanism remains unknown. In order to understand this mechanism, CDOM from different sources was fractionated using ultrafiltration and XAD resin, and characterized using UV-vis absorption and fluorescence spectroscopy. The indirect photodegradation of SM in these CDOM fractions was then investigated. Humic acid (JKHA) and Suwannee River natural organic matter (SRNOM) were used in this study. The results showed that CDOM could be divided into four components (three humic-like components and one protein-like component), and terrestrial humic-like components C1 and C2 were found to be the main components that promote SM indirect photodegradation due to their high aromaticity. The indirect photodegradation of SM was much faster in low molecular weight (MW) solutions, whose structures were dominated by greater aromaticity and terrestrial fluorophores in JKHA and higher terrestrial fluorophores in SRNOM. The HIA and HIB fractions of SRNOM contained large aromaticity and high fluorescence intensities of C1 and C2, resulting in a greater indirect photodegradation rate of SM. The HOA and HIB fractions of JKHA had abundant terrestrial humic-like components and contributed more to SM indirect photodegradation.

Modulating the electron structure of Co-3d in Co3O4-x/WO2.72 for boosting peroxymonosulfate activation and degradation of sulfamerazine: Roles of high-valence W and rich oxygen vacancies.

Sulfate radical (SO4•-)-based heterogonous advanced oxidation processes (AOPs) show promising potential to degrade emerging contaminants, however, regulating the electron structure of a catalyst to promote its catalytic activity is challenging. Herein, a hybrid that consists of Co3O4-x nanocrystals decorated on urchin-like WO2.72 (Co3O4-x/WO2.72) with high-valence W and rich oxygen vacancies (OVs) used to modulate the electronic structure of Co-3d was prepared. The Co3O4-x/WO2.72 that developed exhibited high catalytic activity, activating peroxymonosulfate (PMS), and degrading sulfamerazine (SMR). With the use of Co3O4-x/WO2.72, 100 % degradation of SMR was achieved within 2 min, at a pH of 7, with the reaction rate constant k1 = 3.09 min-1. Both characterizations and density functional theory (DFT) calculations confirmed the formation of OVs and the promotion of catalytic activity. The introduction of WO2.72 greatly regulated the electronic structure of Co3O4-x. Specifically, the introduction of high-valence W enabled the Co-3d band centre to be closer to the Fermi level and enhanced electrons (e-) transfer ability, while the introduction of OVs-Co in Co3O4-x promoted the activity of electrons in the Co-3d orbital and the subsequent catalytic reaction. The reactive oxygen species (ROS) were identified as •OH, SO4•-, and singlet oxygen (1O2) by quenching experiments and electron spin resonance (EPR) analysis. The DFT calculation using the Fukui index indicated the reactive sites in SMR were available for an electrophilic attack, and three degradation pathways were proposed.

Fabrication of PbO2 Electrodes with Different Doses of Er Doping for Sulfonamides Degradation.

In the present study, PbO2 electrodes, doped with different doses of Er (0%, 0.5%, 1%, 2%, and 4%), were fabricated and characterized. Surface morphology characterization by SEM-EDS and XRD showed that Er was successfully doped into the PbO2 catalyst layer and the particle size of Er-PbO2 was reduced significantly. Electrochemical oxidation of sulfamerazine (SMR) in the Er-PbO2 anode system obeyed te pseudo first-order kinetic model with the order of 2% Er-PbO2 > 4% Er-PbO2 > 1% Er-PbO2 > 0.5% Er-PbO2 > 0% PbO2. For 2% Er-PbO2, kSMR was 1.39 h-1, which was only 0.93 h-1 for 0% PbO2. Effects of different operational parameters on SMR degradation in 2% Er-PbO2 anode system were investigated, including the initial pH of the electrolyte and current density. Under the situation of an initial pH of 3, a current density of 30 mA·cm-2, a concentration of SMR 30 mg L-1, and 0.2 M Na2SO4 used as supporting electrolyte, SMR was totally removed in 3 h, and COD mineralization efficiency was achieved 71.3% after 6 h electrolysis. Furthermore, the degradation pathway of SMR was proposed as combining the active sites identification by density functional calculation (DFT) and intermediates detection by LC-MS. Results showed that Er-PbO2 has great potential for antibiotic wastewater treatment in practical applications.

Accelerating the Fe(III)/Fe(II) cycle via enhanced electronic effect in NH2-MIL-88B(Fe)/TPB-DMTP-COF composite for boosting photo-Fenton degradation of sulfamerazine.

In the photo-Fenton reactions, fast recombination of photoinduced electrons and holes in Fe-based metal-organic frameworks (Fe-MOFs) slows Fe(III)/Fe(II) cycle, which remains big challenge that significantly retards the overall process. Herein, NH2-MIL-88B(Fe) (NM88) was modified with 3,5-diaminobenzoic acid (DB) and TPB-DMTP-COF (COF-OMe) to in situ construct NM88(DB)0.85/COF-OMe composite that could strongly harvest the visible light for photo-Fenton degradation of sulfamerazine (SMR). With the addition of DB, electron-donating effect of NM88 was strengthened, which then promoted amino groups to react with aldehyde groups (Schiff-base), and thus highly facilitated the interfacial contact between NM88 and COF-OMe. Such modifications increased the degradation rate constants for NM88(DB)0.85/COF-OMe to 15.1 and 17.3 times that of NM88 and COF-OMe respectively with good reusability. Moreover, the catalyst exhibited 32-170 times higher degradation kinetics in comparison to other reported catalysts. Results showed that due to the Schiff-base reaction between NM88(DB) and COF-OMe, electron density on Fe(III) was decreased; and the photogenerated electrons of COF-OMe moved to NM88(DB) to reduce Fe(III), thus resulting in the generation of highly active Fe(II) and ·OH species. Furthermore, the main reactive species were determined to be ·OH and ·O2- by trapping experiments, and a possible mechanism of the degradation system followed Z-scheme charge transfer.

A Hot-Melt Extrusion Risk Assessment Classification System for Amorphous Solid Dispersion Formulation Development.

Several literature publications have described the potential application of active pharmaceutical ingredient (API)-polymer phase diagrams to identify appropriate temperature ranges for processing amorphous solid dispersion (ASD) formulations via the hot-melt extrusion (HME) technique. However, systematic investigations and reliable applications of the phase diagram as a risk assessment tool for HME are non-existent. Accordingly, within AbbVie, an HME risk classification system (HCS) based on API-polymer phase diagrams has been developed as a material-sparing tool for the early risk assessment of especially high melting temperature APIs, which are typically considered unsuitable for HME. The essence of the HCS is to provide an API risk categorization framework for the development of ASDs via the HME process. The proposed classification system is based on the recognition that the manufacture of crystal-free ASD using the HME process fundamentally depends on the ability of the melt temperature to reach the API's thermodynamic solubility temperature or above. Furthermore, we explored the API-polymer phase diagram as a simple tool for process design space selection pertaining to API or polymer thermal degradation regions and glass transition temperature-related dissolution kinetics limitations. Application of the HCS was demonstrated via HME experiments with two high melting temperature APIs, sulfamerazine and telmisartan, with the polymers Copovidone and Soluplus. Analysis of the resulting ASDs in terms of the residual crystallinity and degradation showed excellent agreement with the preassigned HCS class. Within AbbVie, the HCS concept has been successfully applied to more than 60 different APIs over the last 8 years as a robust validated risk assessment and quality-by-design (QbD) tool for the development of HME ASDs.

Efficient visible light driven degradation of antibiotic pollutants by oxygen-doped graphitic carbon nitride via the homogeneous supramolecular assembly of urea.

Graphitic carbon nitride (CN), as a non-metal material, has emerged as a promising photocatalyst to address environmental issues with the favorable band gap and chemical stability. The porous oxygen-doped CN nanosheets (CNO) were synthesized by an ecofriendly and efficient self-assembled approach using a sole urea as the precursor. The CNO photocatalysts were derived from the hydrogen-bonded cyanuric acid-urea supramolecular complex, which were obtained by pretreatment of urea at high temperature and pressure. The homogeneous supramolecular assembly was advantageous to the formation of uniform porous and oxygen-doped CN nanosheets. The formation process of the supramolecular intermediate and the CNO nanosheets were investigated. Moreover, doping amount of O in CNO could be controlled by the time of the high-pressure thermal polymerization of urea. The characterization results shown that the O atoms were successfully doped into the framework of CN by substitution the N atoms to form the C-O structures. The obtained CNO photocatalysts demonstrated the excellent visible-light photocatalytic performances for sulfamerazine (SMR) degradation, which was ascribed to synergistic interaction of porous structure and O doping. The degradation intermediates of SMR were identified and the degradation pathway were also proposed. Furthermore, density functional theory (DFT) calculations proved that O doping changed the electronic structure of CN, resulting in more easier to activate O2. This work provides a novel perceptive for the development of high-performance nonmetal photocatalysts by using the homogeneous supramolecular assembly, which exhibits great potential in the environmental treatment.

NaCl template-assisted synthesis of self-floating COFs foams for the efficient removal of sulfamerazine.

The preparation of hierarchical porous covalent organic frameworks (HP-COFs) is of great significance due to their inherent porosity and low density. However, it is still very challenging owing to the poor machinability of COFs. Herein, a simple and cost-efficient strategy for the synthesis of HP-COFs was proposed. In particular, p-toluenesulfonic acid and NaCl, both of which can be recycled, are utilized as catalyst and template, respectively. The resulting HP-TpBD-900 featuring abundant macropore and mesopore as well as large specific surface area (~700 m2 g-1) possessed self-floating ability and was turned out to be a promising adsorbent for the efficient removal of sulfamerazine (SMR) in aqueous solution. The maximum adsorption capacity is 168 mg g-1, which is more than twice in comparison to that of material prepared without NaCl template. In addition, no significant decrease in adsorption capacity was observed after 5 cycles. Furthermore, the density functional theory (DFT) method was utilized to elucidate the adsorption mechanism, which could be dominated by hydrogen bonding and C-H···π interaction. This work not only provides a new strategy for the synthesis of HP-COFs, but also contributes to boosting the application of COFs in the field of wastewater treatment.

Stimulation of Sulfonamides Antibacterial Drugs Activity as a Result of Complexation with Ru(III): Physicochemical and Biological Study.

Antibiotic resistance is a global problem, and one promising solution to overcome this issue is using metallodrugs, which are drugs containing metal ions and ligands. These complexes are superior to free ligands in various characteristics including anticancer properties and mechanism of action. The pharmacological potential of metallodrugs can be modulated by the appropriate selection of ligands and metal ions. A good example of proper coordination is the combination of sulfonamides (sulfamerazine, sulfathiazole) with a ruthenium(III) ion. This work aimed to confirm that the activity of sulfonamides antibacterial drugs is initiated and/or stimulated by their coordination to an Ru(III) ion. The study determined the structure, electrochemical profile, CT-DNA affinity, and antimicrobial as well as anticancer properties of the synthesized complexes. The results proved that Ru(III) complexes exhibited better biological properties than the free ligands.

Prediction of sulfamerazine and sulfamethazine solubility in some cosolvent mixtures using non-ideal solution models / Predicción de la solubilidad de sulfamerazina y sulfametazina en algunas mezclas cosolventes utilizando modelos de solución no ideales / Predição da solubilidade de sulfamerazina e sulfametazina em algumas misturas de cosolventes usando modelos de solução não ideais

SUMMARY Introduction: Experimental Solubilities of sulfamerazine (SMR) and sulfamethazine (SMT) in some (methanol + water), (ethanol + water) and (1-propanol + water) cosolvent mixtures were collected from the literature at five temperatures from 293.15 to 313.15 K. Methodology: The results were analyzed with the van't Hoff, Apelblat modified, Buchowski-Ksiazaczak λh, van't Hoff-Yaws model, two-parameter Weibull function model. It was determined that the models that best describe the solubility of these sulfonamides in (alcohol + water) mixtures were the van't Hoff and Apelblat models, obtaining correlation indices greater than 0.99 in all cases. Results: The results obtained with the Modified Apelblat equation presents a high correlation index for the solubility of SMR and SMT in cosolvent mixtures, followed by the van't Hoff-Yaws model that presents a high fit of the estimated data with respect to the theoretical ones. According to the two-parameter Weibull function model, the solubility ofSMR and SMT in the co-solvent mixtures shows important deviations from ideality, which is consistent with the literature. The results are discussed in terms of the solute-solvent interactions that occur in this system.

RESUMEN Introducción: Las solubilidades experimentales de la sulfamerazina (SMR) y la sulfametazina (SMT) en algunas mezclas cosolvents (metanol + agua), (etanol + agua) y (1-propanol + agua), se revisaron en la literatura a cinco temperaturas de 293,15 a 313,15 K. Metodología: Los resultados se analizaron con el modelo van't Hoff, Apelblat modificado, Buchowski-Ksiazaczak λh, van't Hoff-Yaws, y el modelo de la función Weibull de dos parámetros. Se determinó que los modelos que mejor describen la solubilidad de estas sulfonamidas en mezclas (alcohol + agua) son los modelos de van't Hoffy Apelblat, obteniendo índices de correlación superiores a 0,99 en todos los casos. Resultados: Los resultados obtenidos con la ecuación de Apelblat modiicada presentan un alto índice de correlación para la solubilidad de SMR y SMT en mezclas de cosolventes, seguido del modelo van't Hoff-Yaws que presenta un alto ajuste de los datos calculados con respecto a los teóricos. Según el modelo de la función de Weibull de dos parámetros, la solubilidad de la SMR y la SMT en las mezclas de cosolventes muestra importantes desviaciones de las ideales, lo que es coherente con la literatura. Los resultados se discuten en términos de las interacciones soluto-solvente que se producen en este sistema.

RESUMO Introdução: As solubilidades experimentais de sulfamerazina (SMR e sulfametazina (SMT) em algumas misturas de cossolventes (metanol + água), (etanol + água) e (1-propanol + água), foram revisadas na literatura em cinco temperaturas de 293,15 a 313,15 K. Metodologia: Os resultados foram analisados com o modelo van't Hoff, Apelblat modificado, Buchowski-Ksiazaczak λh, van't Hoff-Yaws e o modelo de função Weibull de dois parâmetros. Determinou-se que os modelos que melhor descrevem a solubilidade dessas sulfonamidas em misturas (álcool + água) são os modelos van't Hoff e Apelblat, obtendo índices de correlação superiores a 0,99 em todos os casos. Resultados: Os resultados obtidos com a equação de Apelblat modi-icada apresentam um alto índice de correlação para a solubilidade de SMR e SMT em misturas de cosolventes, seguido pelo modelo de van't Hoff-Yaws que apresenta um alto ajuste dos dados calculados em relação a teóricos. De acordo com o modelo de função Weibull de dois parâmetros, a solubilidade de SMR e SMT em misturas de cosolventes apresenta desvios signiicativos dos ideais, o que é consistente com a literatura. Os resultados são discutidos em termos das interações soluto-solvente que ocorrem neste sistema.

Indirect photodegradation of sulfathiazole and sulfamerazine: Influence of the CDOM components and seawater factors (salinity, pH, nitrate and bicarbonate).

Sulfonamides (SAs) are ubiquitous antibiotics that are increasingly detected in the aquatic environment, and may cause potential harm to the environment and humans. Indirect photodegradation has been considered to be a promising natural degradation process for antibiotics in the environment. Chromophoric dissolved organic matter (CDOM) is an important participant in the indirect photodegradation of antibiotics. Indirect photodegradation of sulfathiazole (ST) and sulfamerazine (SM) were studied in the presence of CDOM and marine factors (salinity, pH, nitrate (NO3-) and bicarbonate (HCO3-)) to simulate photodegradation of these compounds in the coastal seawater environment. The main findings are as follows. First, the indirect photodegradation rates of ST and SM in the presence of CDOM were significantly increased and followed the pseudofirst order kinetics. Second, 1O2 played a critical role in the indirect photodegradation of ST and its contribution rate was 54.2%; 3CDOM⁎ performed similarly in the case of SM with a 58.0% contribution rate. Third, CDOM was divided into four fluorescent components by excitation-emission matrix spectroscopy and parallel factor analysis (EEMs-PARAFAC), including three exogenous components and an autochthonous component. The exogenous components with high molecular weight and higher number of aromatic groups played a decisive role in the indirect photodegradation of ST and SM due to their ability to generate higher levels of reactive intermediates (RIs). Finally, seawater factors (salinity, pH, NO3- and HCO3-) influenced the indirect photodegradation of ST and SM by influencing the steady-state concentrations of RIs. This report is the first study of indirect photodegradation of ST and SM from the perspective of the CDOM components and simulated coastal waters.

Synthesis and in silico studies of triazene-substituted sulfamerazine derivatives as acetylcholinesterase and carbonic anhydrases inhibitors.

A novel series of sulfonamides, 4-(3-phenyltriaz-1-en-1-yl)-N-(4-methyl-2-pyrimidinyl)benzenesulfonamides (1-9), was designed and synthesized by the diazo reaction between sulfamerazine and substituted aromatic amines for the first time. Their chemical structures were characterized by 1 H nuclear magnetic resonance (NMR), 13 C NMR, and high-resolution mass spectra. The newly synthesized compounds were evaluated in terms of acetylcholineasterase (AChE) and human carbonic anhydrases (hCA) I and II isoenzymes inhibitory activities. According to the AChE inhibition results, the Ki values of the compounds 1-9 were in the range of 19.9 ± 1.5 to 96.5 ± 20.7 nM against AChE. Tacrine was used as the reference drug and its Ki value was 49.2 ± 2.7 nM against AChE. The Ki values of the compounds 1-9 were in the range of 10.2 ± 2.6 to 101.4 ± 27.8 nM against hCA I, whereas they were 18.3 ± 4.4 to 48.1 ± 4.5 nM against hCA II. Acetazolamide was used as a reference drug and its Ki values were 72.2 ± 5.4 and 52.2 ± 5.7 nM against hCA I and hCA II, respectively. The most active compounds, 1 (nonsubstituted) against AChE, 5 (4-ethoxy-substituted) against hCA I, and 8 (4-bromo-substituted) against hCA II, were chosen and docked at the binding sites of these enzymes to explain the inhibitory activities of the series. The newly synthesized compounds presented satisfactory pharmacokinetic properties via the estimation of ADME properties.

Adsorption, desorption and coadsorption behaviors of sulfamerazine, Pb(II) and benzoic acid on carbon nanotubes and nano-silica.

In this study, nano-silica (Nano-SiO2), oxidized (O-CNTs) and graphitized multi-walled carbon nanotubes (G-CNTs) were applied as model adsorbents to study the adsorption, desorption and coadsorption behaviors of sulfamerazine (SMR), Pb(II) and benzoic acid (BA). The results showed that charge assisted H-bond (CAHB) formation played an important role in adsorption of SMR and BA on O-riched nanomaterials. The adsorption capacities of Pb(II) on CNTs were 21.46- 26.77 times higher than that on Nano-SiO2, which was mainly attributed to surface complexation and cation-π interaction. The fraction of Pb2+ adsorbed in the inside channel of CNTs should not be ignored. In coexisting systems, the absolute sorption inhibition of the SMR (ΔQeSMR) was compared with the amount of competitor adsorbed. Competitive sorption was observed as indicated by adding Pb(II) decreased adsorption of SMR on Nano-SiO2 (ΔQeSMR > 0), but hardly affected SMR adsorption on CNTs (ΔQeSMR ≈ 0) which was attributed to cation-π interaction. In addition, CAHB formed between SMR and Nano-SiO2 (ΔpKa ≈ 4.34) was weaker than that formed between SMR and O-CNTs (ΔpKa ≈ 3.15), which also consequently resulted in stronger competition of Pb(II) to SMR on Nano-SiO2 than that on O-CNTs. Moreover, coexisting BA increased adsorption of SMR on Nano-SiO2 and G-CNTs (ΔQeSMR < 0), but did not result in an apparent competition on SMR adsorption by O-CNTs (ΔQeSMR ≈ 0). These results emphasize that the environmental behaviors of a certain pollutant should be assessed carefully by considering the presence of other pollutants.

Catalytic activation of O2 by Al0-CNTs-Cu2O composite for Fenton-like degradation of sulfamerazine antibiotic at wide pH range.

In this study, a novel Al°-CNTs-Cu2O composite, capable of activating O2 to generate H2O2 and further to reactive oxygen species (ROSs) at a wide pH range, was synthetized, characterized and applied for the degradation of sulfamerazine. In the activation of O2 by Al°-CNTs-Cu2O composite, H2O2 was generated from the reaction of O2 with Al°-CNTs, which could be catalytically decomposed into O2- and OH by Cu2O, the formed Cu(II) could be rapidly reduced to Cu2O by Al°-CNTs in composite, which made Al°-CNTs-Cu2O composite reusable and decreased the leaching of copper ions into solution. The removal efficiency of SMR and TOC was 73.91 % and 56.80 %, respectively at initial pH = 5.8, T = 20 °C, O2 flow rate = 100 mL/min, Al°-CNTs-Cu2O dosage = 2 g/L, SMR = 50 mg/L, and reaction time = 60 min. The removal efficiency of SMR kept almost unchanged and the concentration of copper ions in solution was below 0.5 mg/L. The Al°-CNTs-Cu2O/O2 process could be used as a novel catalyst for the degradation of refractory organic contaminants in water and wastewater by Fenton-like process at a wide pH range through the in situ generation of H2O2.

Photo-stimulated "turn-on/off" molecularly imprinted polymers based on magnetic mesoporous silicon surface for efficient detection of sulfamerazine.

In this study, novel photo-stimulated molecularly imprinted polymers based on magnetic mesoporous carrier surface were developed for selective identification and intelligent separation of sulfamerazine in complex samples. The photosensitive monomer of the molecularly imprinted polymers was azobenzene derivative 5-[(4-(methacryloyloxy)phenyl) diazenyl] isophthalic acid with stimulus reaction mechanisms, which has photoisomerization between trans and cis for N=N bonds. Further, the properties of the photo-stimulated molecularly imprinted polymers were further evaluated through several sets of adsorption experiments. It illustrated that the maximum adsorption amount is 0.45 mmol/L. By ultraviolet spectrophotometry, the material reaches typical characteristic peaks of photo sensitivity, and the cycle time is 16 min. Three adsorption and desorption processes were repeated, the adsorption rate reached 34.4%. Overall, the photo-stimulated molecularly imprinted polymers can enrich and separate determine sulfamerazine with high selectivity, which have good recovery for real samples.

Tailorable yolk-shell Fe3O4@graphitic carbon submicroboxes as efficient extraction materials for highly sensitive determination of trace sulfonamides in food samples.

A well-designed yolk-shell Fe3O4@graphitic carbon (YS-Fe3O4@GC) submicroboxes with a tunable internal cavity were constructed by one-step pyrolysis strategy followed by partially etching, in which the Fe3O4 magnetic core was well confined in compartment of GC submicroboxes. The suitable internal cavity, graphitic carbon shell and large specific surface area, play great roles in improving mass transfer of analytes. Compared to its core-shell structure, the YS-Fe3O4@GC submicroboxes as dispersive magnetic solid-phase extraction (d-MSPE) materials exhibited superior enrichment performance for sulfonamides (SAs). Thus, it was applied to sensitive/simultaneous detection of trace SAs in milk and meat samples, combing with high performance liquid chromatography (HPLC). Under optimized conditions, limits of detection (LODs, 0.11-0.25 µg L-1 for milk and 0.46-2.24 µg kg-1 for meat) and recoveries (77.2-118.0%) were obtained. This work not only offers a facile strategy for the tunable fabrication of yolk-shell architecture, but also successfully affords its exploration as d-MSPE materials.