RESUMO
Fluoroquinolone antibiotics have been extensively used in clinical treatments for human and animal diseases. However, their long-term presence in the environment increases the risk of producing resistance genes and creates a potential threat to ecosystems and the health of humans and animals. Batch equilibrium experiments were utilized to investigate the adsorption and retention behavior and mechanism of the quinolone antibiotic enrofloxacin (ENR) in farmland soil in North China. The adsorption and desorption kinetics of ENR in soil were best fitted by pseudo-second-order model (R2 > 0.999). Both the adsorption and desorption processes of ENR in soil reached equilibrium in 1 h. The desorption amounts of ENR were significantly lower than the adsorption amounts, with the hysteresis coefficient (HI) being less than 0.7. The adsorption thermodynamic process of ENR followed the Linear and Freundlich models (0.965 < R2 < 0.985). Hydrophobic distribution and heterogeneous multimolecular layer adsorption were identified as critical factors in the adsorption process. The adsorption amount of ENR gradually decreased with increasing temperature and the initial concentration of ENR. The adsorption rate of ENR was above 80%, while the desorption rate remained below 15%, indicating strong retention ability. The adsorption rate of ENR in soil decreased with increasing pH, the adsorption rate reached 98.3% at pH 3.0 but only 31.5% at pH 11. The influence of coexisting ions on adsorption primarily depended on their properties, such as ion radius, ionic strength, and hydrolysis properties, and the inhibition of adsorption increased with increasing ionic strength. These findings contribute to understanding the fate and risk of veterinary antibiotics in loess soil in North China.
Assuntos
Antibacterianos , Enrofloxacina , Poluentes do Solo , Solo , Enrofloxacina/química , Adsorção , Poluentes do Solo/química , Concentração de Íons de Hidrogênio , Antibacterianos/química , Solo/química , China , Fazendas , Fluoroquinolonas/química , Cinética , Íons/químicaRESUMO
Animals manure and chemical fertilizers are widely applied to agricultural soils to mitigate soil fertility decline resulting from intensive farming practices. However, the use of antibiotics such as ciprofloxacin (CIP) and enrofloxacin (ENR) in these manures introduces certain environmental risks. The sorption of CIP and ENR in soil is influenced by various factors. Soil cations (i.e., Na+, K+, Mg2+, and Ca2+) and artificially introduced ions (NH4+) can affect the sorption behavior of CIP and ENR in alkaline agricultural soils through mechanisms such as ion exchange and competitive sorption. To investigate the effects of ionic strength and ion type on the sorption of antibiotics in alkaline agricultural soil, batch equilibrium experiments were conducted in this study. The results showed that the affinity of alkaline farmland soil to CIP and ENR was poor, and Kd was only 159 L/kg and 89 L/kg, respectively. Increases in temperature and pH inhibited CIP and ENR sorption on soil. Mineral elements in the soil strongly inhibited CIP and ENR sorption. Conversely, NH4+ promoted the Kd values of CIP and ENR by 46% and 221%, respectively. Additionally, under different influencing factors, both the sorption affinity (Kd) and sorption amount of ENR were lower than those of CIP. These findings indicate that ENR has a greater migration potential and poses a greater environmental risk in agricultural soils. Alkaline soil and mineral elements increase the migration potential of CIP, ENR, but the introduction of NH4+ in agricultural production can weaken the migration potential of them.
Assuntos
Ciprofloxacina , Enrofloxacina , Poluentes do Solo , Solo , Ciprofloxacina/química , Solo/química , Concentração de Íons de Hidrogênio , Enrofloxacina/química , Concentração Osmolar , Poluentes do Solo/química , Adsorção , Agricultura , Antibacterianos/químicaRESUMO
With the rising incidence of various diseases in China and the constant development of the pharmaceutical industry, there is a growing demand for floxacin-type antibiotics. Due to the large-scale production and high cost of waste treatment, the parent drug and its metabolites constantly enter the water environment through domestic sewage, production wastewater, and other pathways. In recent years, the pollution of the aquatic environment by floxacin has become increasingly serious, making the technology to degrade floxacin in the aquatic environment a research hotspot in the field of environmental science. Metal-organic frameworks (MOFs), as a new type of porous material, have attracted much attention in recent years. In this paper, four photocatalytic materials, MIL-53(Fe), NH2-MIL-53(Fe), MIL-100(Fe), and g-C3N4, were synthesised and applied to the study of the removal of ofloxacin and enrofloxacin. Among them, the MIL-100(Fe) material exhibited the best photocatalytic effect. The degradation efficiency of ofloxacin reached 95.1% after 3 h under visible light, while enrofloxacin was basically completely degraded. The effects of different materials on the visible photocatalytic degradation of the floxacin were investigated. Furthermore, the photocatalytic mechanism of enrofloxacin and ofloxacin was revealed by the use of three trappers (âªO2-, h+, and âªOH), demonstrating that the role of âªO2- promoted the degradation effect of the materials under photocatalysis.
Assuntos
Estruturas Metalorgânicas , Quinolonas , Poluentes Químicos da Água , Estruturas Metalorgânicas/química , Catálise , Quinolonas/química , Poluentes Químicos da Água/química , Fotólise , Luz , Ofloxacino/química , Processos Fotoquímicos , Antibacterianos/química , Enrofloxacina/químicaRESUMO
This study presents an assessment of inorganic and organic modification of biochar on physicochemical properties, dissolved organic carbon (DOC) release, sorption efficiency towards enrofloxacin (E) and silver nanoparticles (Ag-NPs), as well as an evaluation of addition of prepared materials on hydro-physical properties and adsorption capacity of montmorillonite (M). The biochar was derived from wheat straw at 650 °C. An inorganic modification was performed using ammonia hydroxide, whereas an organic modification, using citric acid. The ammonia hydroxide and citric acid changed the biochar nature and surface chemistry by introducing amino and ester groups. The lowest DOC release was from ammonia-biochar (BCN) and the highest, from citric acid-biochar (BCC). The adsorption data were better described by pseudo-II order equation and Marczewski-Jaroniec isotherm. Results showed that BCN exhibited the highest efficiency in adsorption of E and Ag-NPs. It also improved the adsorptive abilities and saturated hydraulic conductivity of M. This provides the chemically modified biochars have an excellent potential to improve pollution removal from aqueous media and hydro-physical/sorption properties of soil sorption complex. They can be used with advantageous in environmental applications.
Assuntos
Carvão Vegetal , Ácido Cítrico , Nanopartículas Metálicas , Triticum , Triticum/química , Carvão Vegetal/química , Ácido Cítrico/química , Adsorção , Nanopartículas Metálicas/química , Bentonita/química , Prata/química , Enrofloxacina/química , Hidróxidos/química , Amônia/químicaRESUMO
A novel continuous all-weather photo-electric synergistic treatment system was proposed in this study for refractory organic compounds, which overcame the defects of conventional photo-catalytic treatments that rely on light irradiation and thus cannot achieve all-weather continuous treatment. The system used a new photocatalyst (MoS2/WO3/carbon felt) with the characteristics of easy recovery and fast charge transfer. The system was systematically tested in degrading enrofloxacin (EFA) under real environmental conditions in terms of treatment performance, pathways and mechanisms. The results showed that the EFA removal of photo-electric synergy substantially increased by 1.28 and 6.78 times, compared to photocatalysis and electrooxidation, respectively, with an average removal of 50.9% under the treatment load of 832.48 mg m-2 d-1. Possible treatment pathways of EFA and mechanism of the system were found to be mainly the loss of piperazine groups, the cleavage of the quinolone portion and the promotion of electron transfer by bias voltage.
Assuntos
Enrofloxacina , Tempo (Meteorologia) , Enrofloxacina/química , Compostos OrgânicosRESUMO
In this work, two chromatographic methods are developed and validated for the determination of enrofloxacin and bromhexine (BRM) HCl in the presence of two of their specified impurities, ciprofloxacin and BRM impurity C. The suggested chromatographic methods included the use of thin layer chromatography (TLC-densitometry) and high-performance liquid chromatography (HPLC). In case of TLC-densitometry, good separation was achieved by using mobile phase of n.butanol:acetone:water:glacial acetic acid:triethylamine (10:3:1:0.5:0.5, by volume) on silica gel stationary phase at 254-nm detection. The developed HPLC method used BDS HYPERSIL C18 column with a mobile phase of water:acetonitrile:methanol:triflouroacetic acid. A linear gradient elution of 75-10%, 20-50% and 5-40% for water, acetonitrile and methanol, respectively, was applied in 13 min at a flow rate of 1.5 mL min-1. These methods were sufficient to separate the four substances simultaneously, and they are validated as per International Conference on Harmonization guidelines.
Assuntos
Cromatografia Líquida de Alta Pressão , Cromatografia em Camada Fina/métodos , Cromatografia Líquida de Alta Pressão/métodos , Bromoexina/química , Bromoexina/isolamento & purificação , Enrofloxacina/química , Enrofloxacina/isolamento & purificaçãoRESUMO
In this study, cattail was researched as a natural cellulose source to extract cellulose. Dewaxing, alkali and bleaching treatments were carried out for the cattail fibers (CFs). The FTIR, SEM and XRD results indicated that hemicellulose and lignin were successfully removed from the CFs, and the content of cattail cellulose increased from 41.66 ± 1.11% to 89.72 ± 1.07%. Subsequently, cellulose aerogel was prepared by the extracted cattail cellulose. The Zeolitic imidazolate framework-8 (ZIF-8) was uniformly loaded onto the surface of cellulose aerogel by the in situ growth, and ZIF-8 Cattail Cellulose Aerogel (ZCCA) was finally prepared. The SEM, FTIR, XRD and TGA results further confirmed the successful preparation of ZCCA. Additionally, the results of the adsorption experiment showed that ZCCA had excellent adsorption performance for enrofloxacin, and the maximum adsorption capacity of enrofloxacin reached 172.09 mg·g-1 while showing good reusability. The adsorption process followed the pseudo-second-order kinetic model and the Langmuir isotherm model. Thermodynamic studies showed that the adsorption of enrofloxacin was a spontaneous endothermic reaction and that the adsorption mechanism involves the interaction of hydrogen bonds, electrostatic and π-π stacking.
Assuntos
Antibacterianos/química , Celulose/análogos & derivados , Enrofloxacina/química , Nanogéis/química , Purificação da Água/métodos , Adsorção , Antibacterianos/análise , Enrofloxacina/análise , Ligação de Hidrogênio , Imidazóis/química , Estruturas Metalorgânicas/química , Typhaceae/química , Águas Residuárias/químicaRESUMO
The influence of fish burger preparation and frying on residual levels of enrofloxacin (ENR) and ciprofloxacin (CIP) was evaluated. For this purpose, a high-throughput liquid chromatography-mass spectrometry analytical method for the quantitation of ENR and CIP residues in tilapia products (fillet, raw fish burger and fried fish burger) was developed and validated based on European and Brazilian guidelines. Sample preparation was accomplished by extraction with acidified acetonitrile followed by clean-up with hexane. Chromatographic analysis was performed on a C18 column using isocratic elution with 0.1% formic acid and acetonitrile (85:15 v:v). The analytical method showed suitable performance to quantify the residual levels of ENR and CIP in the studied matrices. No reduction in the residual levels of ENR and CIP was observed during fish burger preparation and only a 10% reduction occurred as a consequence of frying, indicating that both compounds were stable to the preparation of the fish burger and to frying conditions.
Assuntos
Ciclídeos , Ciprofloxacina/química , Resíduos de Drogas/química , Enrofloxacina/química , Produtos Pesqueiros/análise , Manipulação de Alimentos , Animais , Antibacterianos/químicaRESUMO
In this work, we report on the synthesis of a new-age reusable visible-light photocatalyst using a heterojunction nanocomposite of W6+/Yb3+ on a mixed-phase mesoporous network of monolithic TiO2. The structural properties of the monolithic photocatalysts are characterized using p-XRD, SEM-EDAX, TEM-SAED, XPS, PLS, UV-Vis-DRS, FT-IR, micro-Raman, TG-DTA, and N2 isotherm analysis. The electron microscopic analysis reveals a mesoporous network of ordered worm-like monolithic design, with a polycrystalline mixed-phase (anatase/rutile) TiO2 composite, as indicated by diffraction studies. The UV-Vis-DRS analysis reveals a redshift in the light absorption characteristics of the mixed-phase TiO2 monolith as a function of W6+/Yb3+ co-doping. It is observed that the use of (8.0 mol%)W6+/0.4 (mole%)Yb3+ co-doped monolithic TiO2 photocatalyst, with an energy bandgap of 2.77 eV demonstrates superior visible-light photocatalysis, which corroborates with the PLS studies in terms of voluminous e-/h+ pair formation. The practical application of the photocatalyst has been investigated through a time-dependent dissipation of enrofloxacin, a widely employed antimicrobial drug, and its degradation pathway has been monitored by LC-MS-ESI and TOC analysis. The impact of physio-chemical parameters such as solution pH, sensitizers, drug concentration, dopant/codopant stoichiometry, catalyst quantity, and light intensity has been comprehensively studied to monitor the process efficiency.
Assuntos
Enrofloxacina/química , Nanocompostos/química , Poluentes Químicos da Água/química , Catálise , Cromatografia Líquida de Alta Pressão , Enrofloxacina/análise , Concentração de Íons de Hidrogênio , Luz , Espectroscopia Fotoeletrônica , Fotólise , Espectrometria de Massas por Ionização por Electrospray , Titânio/química , Tungstênio/química , Poluentes Químicos da Água/análise , Itérbio/químicaRESUMO
BACKGROUND: The antimicrobial resistance due to biofilm formation among bacteria is a significant problem in the healthcare and food industries. OBJECTIVE: The current study describes the synthesis of enrofloxacin derivatives 2-17, and the evaluation of their anti-bacterial and anti-biofilm activities. METHODS: Compounds 2-17 were synthesized through the acylation of enrofloxacin with thionyl chloride, followed by reaction with different aromatic amines. The new analogues identified among the sixteen compounds were 2-7, 11, 14, and 17. RESULTS: Compound 2 appeared to be effective against pathogens S. aureus as well as K. pneumonia, whereas, compound 11 was found active against K. pneumonia only. Compound 2 inhibited >75% biofilm formation of S. aureus at 20 µg/mL and K. pneumonia at 10 µg/mL concentrations. These doses are far below the bactericidal concentration of compound 2, suggesting the anti-virulence mechanism of these compounds. Compound 11 inhibited 60% biofilm formation of K. pneumoniae at 70 µg/mL concentration. Compound 5 inhibited the biofilm of K. pneumoniae at 62 µg/mL concentration but also had bactericidal properties at this concentration. Interestingly, compound 2 eradicated the preformed biofilm of both the pathogens at much lower doses as compared to control drug, gentamycin and substrate, enrofloxacin. Cytotoxicity of compounds 2-17 was checked by a standard method using 3T3 normal cell lines (mouse fibroblast), all compounds were found to be noncytotoxic. CONCLUSION: These compounds can be used alone or with FDA approved drugs to overcome biofilm related K. pneumoniae and S. aureus infections.
Assuntos
Biofilmes/efeitos dos fármacos , Enrofloxacina/síntese química , Enrofloxacina/farmacologia , Klebsiella pneumoniae/efeitos dos fármacos , Klebsiella pneumoniae/fisiologia , Staphylococcus aureus/efeitos dos fármacos , Staphylococcus aureus/fisiologia , Células 3T3 , Animais , Antibacterianos/síntese química , Antibacterianos/química , Antibacterianos/farmacologia , Biofilmes/crescimento & desenvolvimento , Técnicas de Química Sintética , Relação Dose-Resposta a Droga , Enrofloxacina/química , Cinética , CamundongosRESUMO
Purification of antibodies has become a critical factor in antibody production. A high-purity specific antibody against antigens, especially small molecules, seems to be difficult to obtain, even with the help of a protein A affinity column, which is a conventional and broadly used ligand for the separation of antibody and non-antibody proteins. Therefore, it is urgent to develop a cheap, simple, efficient, and stable method to separate the specific antibody from other antibodies. In this study, to improve the sensitivity and accuracy of immunoassay results, enrofloxacin (ENR) was grafted onto polyethylenimine (PEI) by the abundant amino groups and then the whole ligand (ENR-PEI) was conjugated to CNBr-Sepharose 4B to prepare the affinity column for the purification of the specific antibody against ENR from polyclonal antibodies. Scanning electron microscopy and Fourier transform infrared spectroscopy verification showed that Sepharose 4B was successfully modified by ENR-PEI with excellent uniformity. The capacity of the prepared column could reach to 6.15 mg of specific antibody with high purity per milliliter resin due to the high coupling ratio (49.3:1) of ENR on PEI, and the IC50 value of the antibody after purification was 47.58 ng/mL with a lowest limit of detection (IC10) of 1.099 ng/mL-18 times lower than those of the antibody purified through the protein A column. All the results showed that this new kind of resin could be used as the potential ligand in the purification of the trace-specific antibody against antigens in complex mixtures with high efficiency and specificity.
Assuntos
Anticorpos/imunologia , Anticorpos/isolamento & purificação , Especificidade de Anticorpos , Haptenos/química , Haptenos/imunologia , Imunoensaio/métodos , Polietilenoimina/química , Enrofloxacina/química , LigantesRESUMO
The overuse or abuse of quinolone antibiotics such as enrofloxacin (ENR) in veterinary medicine results in the presence of their residues in food and environment. Thus, a sensitive method is needed to detect them. Herein, we demonstrate a fluorescence resonance energy transfer (FRET) based aptasensor for ENR detection, using core-shell upconversion nanoparticles (CSUNPs) as an energy donor and graphene oxide (GO) as an energy acceptor. The core-shell structure and Gd3+ doping significantly increased the fluorescence intensity of CSUNPs and the FRET efficiency. The ENR aptamer was conjugated to CSUNPs through ligand exchange, and the π-π stacking between the aptamer and GO brought the aptamer-modified CSUNPs to the surface of the GO sheets, resulting in the formation of a CSUNP-GO complex and the subsequent quenching of CSUNP fluorescence. As a result, an aptasensor was established with the fluorescence of CSUNPs correlated with the ENR concentration within the range of 0.976 ng mL-1 to 62.5 ng mL-1, allowing ENR to be detected at a limit of 0.47 ng mL-1. This method reduced the detection limit by approximately 13-fold in 2 h compared to the commercial enzyme-linked immunosorbent assay (ELISA) kit. The aptasensor could also be applied to detect ENR from commercial milk powder samples with a detection limit of 1.59 ng mL-1, which was far below the regulated maximum residue limit of ENR in milk. The aptasensor could not detect other antibiotics, suggesting its good specificity towards ENR. Our work demonstrates a highly selective, sensitive and cost-effective method for detecting antibiotic residues in veterinary medicine. Since the aptamer can be switched to one recognizing another antibiotic, the aptasensors are used as a plug-and-play platform that can detect a variety of antibiotics.
Assuntos
Antibacterianos/análise , Aptâmeros de Nucleotídeos/química , Enrofloxacina/análise , Nanopartículas Metálicas/química , Animais , Antibacterianos/química , Técnicas Biossensoriais/métodos , Enrofloxacina/química , Érbio/química , Érbio/efeitos da radiação , Transferência Ressonante de Energia de Fluorescência , Fluoretos/química , Fluoretos/efeitos da radiação , Contaminação de Alimentos/análise , Grafite/química , Raios Infravermelhos , Limite de Detecção , Nanopartículas Metálicas/efeitos da radiação , Leite/química , Itérbio/química , Itérbio/efeitos da radiação , Ítrio/química , Ítrio/efeitos da radiaçãoRESUMO
Copper oxide nanoparticles (CuO-NPs) have been suggested as effective catalysts to degrade many persistent organic contaminants. In parallel, CuO-NPs are considered toxic to soil microorganisms, plants and human cells, possibly because they induce oxidative stress and generation of reactive oxygen species (ROS). However, the mechanism of the catalytic process and the generated ROS are poorly understood. Here we discuss the reaction mechanism of CuO-NPs during the catalytic degradation of enrofloxacin - an antibiotic pharmaceutical used in this study as a representative persistent organic compound. The degradation of an aqueous solution of the enrofloxacin exposed to CuO-NPs and hydrogen peroxide was studied showing fast removal of the enrofloxacin at ambient conditionsns. ROS production was identified by electron spin resonance and a spin trapping technique. The distribution of the free radical species indicated production of a high percentage of superoxide (O2-.) radicals as well as hydroxyl radicals; this production is similar to the "radical production" activity of the superoxide dismutase (SOD) enzyme in the presence of hydrogen peroxide. This activity was also tested in the opposite direction, to examine if CuO-NPs show reactivity that potentially mimics the classical SOD enzymatic activity. The CuO-NPs were found to catalyze the dismutation of superoxide to hydrogen peroxide and oxygen in a set of laboratory experiments.
Assuntos
Cobre/química , Enrofloxacina/análise , Nanopartículas/química , Espécies Reativas de Oxigênio/química , Poluentes Químicos da Água/análise , Purificação da Água/métodos , Catálise , Enrofloxacina/química , Humanos , Peróxido de Hidrogênio/química , Modelos Teóricos , Oxirredução , Superóxido Dismutase/química , Poluentes Químicos da Água/químicaRESUMO
INTRODUCTION: Enrofloxacin is used in the treatment of a wide variety of bacterial infections in mammals. However, its poor solubility limits the clinical use. METHODS: In order to improve the solubility of enrofloxacin, the enrofloxacin mesylate (EM) were obtained by a chemical synthesis method. The characterization of EM was carried out using ultraviolet scan (UV), synchronous thermal analysis (SDT), fourier transform infrared spectrometer (FTIR) and mass spectrometry (MS), nuclear magnetic resonance (NMR) and X-ray powder diffraction analysis (XRPD). Acute toxicity of EM in Kunming mice was studied. Besides, pharmacokinetic studies were performed in New Zealand rabbits at a single oral dose of 10 mg/kg, and the antibacterial activity of EM was also evaluated. RESULTS: EM was successfully synthesized and purified. The stoichiometric ratio of mesylate to enrofloxacin was 1:1 and the aqueous solubility of EM was 483.01±4.06 mg/mL, the solubility of EM was about 2000 times higher than enrofloxacin. The oral lethal dose (LD50) of EM was 1168.364 mg/kg, and the pharmacokinetics indicated that the oral relative bioavailability of EM was about 1.79 times and 1.48 times higher than that of enrofloxacin and enrofloxacin hydrochloride, respectively. In addition, the in vitro antibacterial activity of EM was not significantly changed compared with enrofloxacin and enrofloxacin hydrochloride. CONCLUSION: EM has higher solubility, low toxicity for oral use, and increases the oral bioavailability in rabbit. This study may be of benefit for the development of new enrofloxacin drugs.
Assuntos
Antibacterianos/farmacocinética , Enrofloxacina/farmacocinética , Staphylococcus aureus/efeitos dos fármacos , Animais , Antibacterianos/síntese química , Antibacterianos/química , Relação Dose-Resposta a Droga , Enrofloxacina/síntese química , Enrofloxacina/química , Camundongos , Camundongos Endogâmicos , Testes de Sensibilidade Microbiana , Estrutura Molecular , Coelhos , SolubilidadeRESUMO
Enrofloxacin, a third-generation fluoroquinolone, is a broad-spectrum antimicrobial drug against a lot of veterinary bacterial diseases. However, bactericidal activity of enrofloxacin is concentration-dependent and its poor aqueous solubility and bitter taste limit its development and application. Meanwhile, 2-hydroxypropyl-ß-cyclodextrin (HP-ß-CD), a widely used cyclodextrin analog, is a safe and an effective drug carrier. It forms inclusion complexes with its drug substrates and improves their physiochemical and pharmacokinetic properties. Enrofloxacin was also found to form a stable inclusion complex with HP-ß-CD and different research groups have shown improved solubility for enrofloxacin by 32.5%, 9.25 and 165-fold. Our own efforts in this direction resulted in manifold improvement (916-fold) in its solubility compared to the previous studies. It was further shown that pharmaceutical properties, absorption and bioavailability, of enrofloxacin have also been significantly improved by complexation with HP-ß-CD.
Assuntos
2-Hidroxipropil-beta-Ciclodextrina/química , Antibacterianos/administração & dosagem , Portadores de Fármacos/química , Enrofloxacina/administração & dosagem , Animais , Antibacterianos/química , Antibacterianos/farmacocinética , Disponibilidade Biológica , Enrofloxacina/química , Enrofloxacina/farmacocinética , Ratos , SolubilidadeRESUMO
The majority of pharmaceuticals and personal health-care products are ionisable molecules at environmentally relevant pHs. The ionization state of these molecules in freshwater ecosystems may influence their toxicity potential to aquatic organisms. In this study we evaluated to what extent varying pH conditions may influence the toxicity of the antibiotic enrofloxacin (ENR) and the personal care product ingredient triclosan (TCS) to three freshwater invertebrates: the ephemeropteran Cloeon dipterum, the amphipod Gammarus pulex and the snail Physella acuta. Acute toxicity tests were performed by adjusting the water pH to four nominal levels: 6.5, 7.0, 7.5 and 8.0. Furthermore, we tested the efficiency of three toxicity models with different assumptions regarding the uptake and toxicity potential of ionisable chemicals with the experimental data produced in this study. The results of the toxicity tests indicate that pH fluctuations of only 1.5 units can influence EC50-48 h and EC50-96 h values by a factor of 1.4-2.7. Overall, the model that only focuses on the fraction of neutral chemical and the model that takes into account ion-trapping of the test molecules showed the best performance, although present limitations to perform risk assessments across a wide pH range (i.e., well above or below the substance pKa). Under such conditions, the model that takes into account the toxicity of the neutral and the ionized chemical form is preferred. The results of this study show that pH fluctuations can have a considerable influence on toxicity thresholds, and should therefore be taken into account for the risk assessment of ionisable pharmaceuticals and personal health-care products. Based on our results, an assessment factor of at least three should be used to account for toxicity differences between standard laboratory and field pH conditions. The models evaluated here can be used to perform refined risk assessments by taking into account the influence of temporal and spatial pH fluctuations on aquatic toxicity.
Assuntos
Organismos Aquáticos/efeitos dos fármacos , Cosméticos/toxicidade , Água Doce/química , Preparações Farmacêuticas/química , Poluentes Químicos da Água/toxicidade , Anfípodes/efeitos dos fármacos , Animais , Cosméticos/química , Ecossistema , Enrofloxacina/química , Enrofloxacina/toxicidade , Concentração de Íons de Hidrogênio , Modelos Teóricos , Medição de Risco , Caramujos/efeitos dos fármacos , Testes de Toxicidade , Triclosan/química , Triclosan/toxicidade , Poluentes Químicos da Água/químicaRESUMO
Anatase TiO2 nanoparticles coated with P and O co-doped g-C3N4 were prepared via a single-step procedure. The resulting POCN/anatase TiO2 demonstrated remarkable performance in the degradation of enrofloxacin (ENFX). The photocatalytic activity of this heterojunction was 28.9 and 3.71 times better than that of the CN and anatase TiO2, respectively. The microtopography of the POCN/anatase TiO2 was revealed in this study. Co-doping with P and O increased the visible light adsorption capacity of the g-C3N4, whereas the anatase TiO2 nanoparticles enhanced the adsorption properties of the ENFX and the separation of the photoinduced carriers of the POCN/anatase TiO2. The O2·- and h+ were the main reactive oxidative species in the photocatalytic degradation of ENFX. The results of the detection of H2O2 and ESR confirmed that POCN/anatase TiO2 was a type Z-scheme photocatalyst. Finally, the ENFX degradation pathways were estimated through the detection of by-products.
Assuntos
Antibacterianos/química , Enrofloxacina/química , Luz , Nanopartículas Metálicas/química , Nitrilas/química , Oxigênio/química , Processos Fotoquímicos , Titânio/química , CatáliseRESUMO
Ciprofloxacin (CPFX) and enrofloxacin (ENFX), two of the most widely used fluoroquinolones (FQs), pose a great threat to humans and the ecosystem. In this study, the toxic mechanisms between the two FQs and trypsin were evaluated by means of multiple spectroscopic methods, as well as molecular docking. During the fluorescence investigations, both FQs quenched the intrinsic fluorescence of trypsin effectively, which was due to the formation of moderately strong complexes (mainly through van der Waals forces and hydrogen bonds). The binding of two FQs not only caused the conformational and micro-environmental changes of trypsin, but also changed its molecular activity; shown by the UV-Visible absorption spectroscopy, synchronous fluorescence spectroscopy, and functional tests. The established methods in this work can help to comprehensively understand the transport of FQs in the human body.
Assuntos
Ciprofloxacina/química , Ciprofloxacina/toxicidade , Enrofloxacina/química , Enrofloxacina/toxicidade , Tripsina/química , Dicroísmo Circular , Ligação de Hidrogênio , Simulação de Acoplamento Molecular , Conformação Proteica , Espectrometria de Fluorescência , Espectrofotometria UltravioletaRESUMO
Organometallic rhenium complexes have recently been considered in the development of novel antitumor agents due to their suitable properties. A series of rhenium(I) tricarbonyl complexes was synthesized with the quinolone antimicrobial agents enrofloxacin (Herx) and levofloxacin (Hlfx) and solvent (e.g., methanol), imidazole (im) or pyridine (py) as co-ligands. The complexes were characterized by spectroscopic methods. The interaction of the rhenium complexes with bovine serum albumin was investigated by fluorescence emission spectroscopy and the corresponding binding constants were determined. The binding of the rhenium complexes to calf-thymus DNA was monitored by UV-Vis spectroscopy, viscosity measurements and competitive studies with ethidium bromide. These studies indicated that intercalation is the most possible mode of action and the corresponding DNA-binding constants of the complexes were calculated. The cytotoxicity of the Re-complexes against human K-562 erythroleukemia cells was found to be moderate to high. These preliminary results are promising and warrant the design of new Re-complexes with improved properties in future studies.
Assuntos
Complexos de Coordenação/química , Complexos de Coordenação/farmacologia , DNA/química , Enrofloxacina/química , Substâncias Intercalantes/química , Levofloxacino/química , Rênio/química , Linhagem Celular Tumoral , Sobrevivência Celular/efeitos dos fármacos , Humanos , Imidazóis/química , Microscopia de Fluorescência , Piridinas/químicaRESUMO
Quantum chemical analyses were performed over enrofloxacin and boron complexes. The most stable isomer of enrofloxacin was examined at M062X/6-31+G(d) level in gas phase. Structural and spectral characterizations of enrofloxacin and its complexes were performed at same level of theory. MEP maps of studied compound were calculated via ESP charges analyses. Some quantum chemical descriptors (QCDs) were calculated to determine the non-linear optical (NLO) and biological reactivity of studied molecules. Furthermore, molecular docking calculations between boron complexes and a protein (ID: 2ITN and 2ITV) were done. ADME analyses were done in the determination of the best drug candidate. As a result, complex (3) was found as the best in the NLO applications and it was found that complex (1) and (3) have similar biological reactivity in lung cancer treatment.