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Foods (Basel, Switzerland) Jan 2022A multiclass and multiresidue method for simultaneously screening and confirming veterinary drugs, mycotoxins, and pesticides in bovine milk was developed and validated...
Multiclass Comparative Analysis of Veterinary Drugs, Mycotoxins, and Pesticides in Bovine Milk by Ultrahigh-Performance Liquid Chromatography-Hybrid Quadrupole-Linear Ion Trap Mass Spectrometry.
A multiclass and multiresidue method for simultaneously screening and confirming veterinary drugs, mycotoxins, and pesticides in bovine milk was developed and validated with ultrahigh-performance liquid chromatography-hybrid quadrupole-linear ion trap mass spectrometry (UHPLC-Qtrap-MS). A total of 209 targeted contaminants were effectively extracted using an optimized QuEChERS method. Quantitative and qualitative confirmation were achieved simultaneously by multiple reaction monitoring-information-dependent acquisition-enhanced product ion (MRM-IDA-EPI) scan mode. The validation results exhibited a good sensitivity with the LOQs of 0.05-5 μg/kg, which was satisfactory for their MRLs in China or EU. The recoveries of in-house spiked samples were in the range of 51.20-129.76% with relative standard deviations (RSD) between replicates ( = 3) 0.82% and 19.76%. The test results of 140 milk samples from supermarkets and dairy farms in China showed that cloxacillin, aflatoxin M1, acetamiprid, and fipronil sulfone were found with lower concentrations. Combined with the residue results from the literature, penicillin G and cloxacillin (beta-lactams), enrofloxacin and ciprofloxacin (fluoroquinolones), and sulfamerazine (sulfonamides) were more frequently detected in different countries and need to receive more attention regarding their monitoring and control.
PubMed: 35159483
DOI: 10.3390/foods11030331 -
Frontiers in Microbiology 2018The microbial communities in freshwater have raised concerns about the ecosystem and human health. Many ecological environmental problems have been found in urban river...
The microbial communities in freshwater have raised concerns about the ecosystem and human health. Many ecological environmental problems have been found in urban river because of the unreasonable use and long-term wastewater discharge. In this study, we explored the bacterial community composition, abundance of 14 antibiotics and 21 antibiotic resistance genes (ARGs), and water environment features in seven water samples and seven sediment samples from Ba River in Xi'an, China. Results showed and were the dominant phyla in all samples, and sediment samples had a higher bacterial diversity and richness than it in water. Bacterial communities of site 5 and 6 were clustered in discrepant patterns compared to those at remaining sites from other samples. It might be influenced by nutrients, heavy metals and antibiotics. Antibiotics concentrations ranged from 1.26 to 1.61 × 10 ng L in water samples and 1.55 to 4.05 × 10 μg kg in sediment samples. Sulfamerazine (SM1) and erythromycin (ERY) were the chief antibiotics in water samples, while the level of oxytetracycline (OTC) and cefazolin (CFZ) were higher in sediment samples. Canonical correspondence analysis showed that trimethoprim (TMP) was significantly related to in W6, and that SM1 and OTC had positive correlation with in W5. The and had higher pollution abundance ranging from 10 to 10 copies/16S rRNA gene copies in all samples. Significant correlations were observed between ARGs and matching antibiotics, suggesting that antibiotics can pose the selective pressure on ARGs in this river. In summary, these finding might provide some new data to the limited information available on the bacterial community characteristics, abundance of antibiotics and ARGs in urban river of China.
PubMed: 30619235
DOI: 10.3389/fmicb.2018.03191 -
ACS Omega Dec 2023The search for novel drug scaffolds that can improve effectiveness and safety through drug conjugates is a promising approach. Consequently, drug conjugates constitute a...
Exploring the Potential of New Benzamide-Acetamide Pharmacophore Containing Sulfonamide as Urease Inhibitors: Structure-Activity Relationship, Kinetics Mechanism, and In Silico Studies.
The search for novel drug scaffolds that can improve effectiveness and safety through drug conjugates is a promising approach. Consequently, drug conjugates constitute a dynamic field of study and advancement within medicinal chemistry. This research demonstrates the conjugation of diclofenac and mefenamic acid with sulfa drugs and their screening for urease inhibition. These conjugates' structural confirmation was performed using elemental analysis and spectroscopic methods, including IR, H NMR, and C NMR. Diclofenac conjugated with sulfanilamide (4), sulfacetamide (10), and mefenamic acid conjugated with sulfanilamide (12), and sulfamethoxazole (17) was found potent and demonstrated urease inhibition competitively, with IC (μM) values 3.59 ± 0.07, 5.49 ± 0.34, 7.92 ± 0.27, and 8.35 ± 0.26, respectively. Diclofenac conjugated with sulfathiazole (6), sulfamerazine (8), and sulfaguanidine (11), while mefenamic acid conjugated with sulfisoxazole (13), sulfathiazole (14), and sulfadiazine (15) exhibited a mixed mode of urease inhibition. The IC (μM) values were 16.19 ± 0.21, 9.50 ± 0.28, 4.35 ± 0.23, 15.86 ± 0.25, 14.80 ± 0.27, and 7.92 ± 0.27, respectively. Furthermore, molecular docking studies were employed to predict the binding pose of competitive inhibitors at the urease active site. These conjugates generated stable complexes with the urease protein observed through molecular dynamics (MD) simulations, where no conformational changes occurred throughout the simulations. These results highlight the potential for approved therapeutic molecule conjugates to give rise to new categories of pharmacological agents for urease inhibition. The structural similarity of sulfonamides with urea allows them to compete with urea for binding to the active site of the urease enzyme. Sulfonamides and nonsteroidal anti-inflammatory drugs (NSAIDs) can interact hydrophobically with the active site of the urease enzyme, which may disturb its structure and catalytic activity. Therefore, these conjugates may be helpful in the development of novel pharmacological agents for the treatment of a variety of illnesses in which the urease enzyme is involved.
PubMed: 38075833
DOI: 10.1021/acsomega.3c07275 -
Journal of Environmental Health Science... Dec 2021Antibiotic pollution in aquatic systems is a concern for human and environmental health. The concern is largely due to the global occurrence of antibiotic-resistant...
UNLABELLED
Antibiotic pollution in aquatic systems is a concern for human and environmental health. The concern is largely due to the global occurrence of antibiotic-resistant bacteria. From 2017 to 2018 in the NC Piedmont, 15 ion masses associated with antibiotics were detected in rural streams and groundwater. Four of these masses were confirmed to be antibiotics through target analysis (sulfamethoxazole, sulfamerazine, erythromycin, danofloxacin). Concentrations of antibiotics were as high as 1.8 μg/L. As a follow-up, antibiotic residues in urban streams sites in Greensboro, NC, USA, were investigated. Urban streams are heavily influenced by the dense populations surrounding them. In the fall, winter, and spring seasons, surface water was collected from eight sites along two urban streams. Sampling was conducted at streams sites above and below municipal hospitals and wastewater treatment facilities in the study area. At the conclusion of the survey, nine ion masses associated with antibiotics used in both human and veterinary medicine were detected from surface water collected. Three of the four antibiotics targeted in rural stream samples were detected and confirmed in urban stream samples (sulfamerazine, danofloxacin, and erythromycin). Detection frequencies of the three antibiotics ranged from 0 to 46%. Concentrations of each target antibiotic was as followed: SMX (0 to <10 ng/L), SMR (0 to <11 ng/L), DAN (0 to <20 ng/L), and ETM (0 to <15 ng/L). Each target antibiotic concentration was below our methods quantification limits. Our risk assessment analysis showed that the target antibiotics posed no risk to fish, daphnia, and green algae within this region of NC (RQ < 0.1). Compared to rural streams in this region of NC, antibiotic pollution is less prevalent in urban streams. The differences between urban and rural streams may be driven by the varying land use and suggest more research should be dedicated to monitoring these contaminants in rural areas of the United States.
SUPPLEMENTARY INFORMATION
The online version contains supplementary material available at 10.1007/s40201-021-00688-9.
PubMed: 34900268
DOI: 10.1007/s40201-021-00688-9 -
International Journal of Molecular... Dec 2021Antibiotic resistance is a global problem, and one promising solution to overcome this issue is using metallodrugs, which are drugs containing metal ions and ligands....
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, -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.
Topics: Anti-Bacterial Agents; Coordination Complexes; DNA; Electrochemistry; Ligands; Molecular Structure; Ruthenium; Spectrometry, Fluorescence; Sulfonamides
PubMed: 34948278
DOI: 10.3390/ijms222413482 -
Journal of Chromatography. A Aug 2021Liquid phase microextraction (LPME) into a microfluidic has undergone great advances focused on downscaled and miniaturized devices. In this work, a microfluidic device...
Liquid phase microextraction (LPME) into a microfluidic has undergone great advances focused on downscaled and miniaturized devices. In this work, a microfluidic device was developed for the extraction of sulfonamides in order to accelerate the mass transfer and passive diffusion of the analytes from the donor phase to the acceptor phase. The subsequent analysis was carried out by high performance liquid chromatography with UV-DAD (HPLC-DAD). Several parameters affecting the extraction efficiency of the method such as the supported liquid membrane, composition of donor and acceptor phase and flow rate were investigated and optimized. Tributyl phosphate was found to be a good supported liquid membrane which confers not only great affinity for analytes but also long-term stability, allowing more than 20 consecutive extractions without carry over effect. Under optimum conditions, extraction efficiencies were over 96 % for all sulfonamides after 10 minutes extraction and only 10 µL of sample was required. Relative standard deviation was between 3-5 % for all compounds. Method detection limits were 45, 57, 54 and 33 ng mL for sulfadiazine (SDI), sulfamerazine (SMR), sulfamethazine (SMT) and sulfamethoxazole (SMX), respectively. Quantitation limits were 0.15, 0.19, 0.18 and 0.11 µg mL for SDI, SMR, SMT SMX, respectively. The proposed microfluidic device was successfully applied for the determination of sulfonamides in urine samples with extraction efficiencies within the range of 86-106 %. The proposed method improves the procedures proposed to date for the determination of sulfonamides in terms of efficiency, reduction of the sample volume and extraction time.
Topics: Chromatography, High Pressure Liquid; Humans; Lab-On-A-Chip Devices; Liquid Phase Microextraction; Microfluidics; Sulfonamides; Urinalysis
PubMed: 34186325
DOI: 10.1016/j.chroma.2021.462344 -
Journal of the American Chemical Society Oct 2022Sulfoximines are increasingly incorporated in agrochemicals and pharmaceuticals, with the two enantiomers of chiral sulfoximines often having profoundly different...
Sulfoximines are increasingly incorporated in agrochemicals and pharmaceuticals, with the two enantiomers of chiral sulfoximines often having profoundly different binding interactions with biomolecules. Therefore, their application to drug discovery and development requires the challenging preparation of single enantiomers rather than racemic mixtures. Here, we report a general and fundamentally new asymmetric synthesis of sulfoximines. The first -alkylation of sulfenamides, which are readily accessible sulfur compounds with one carbon and one nitrogen substituent, represents the key step. A broad scope for -alkylation was achieved by rhodium-catalyzed coupling with diazo compounds under mild conditions. When a chiral rhodium catalyst was utilized with loadings as low as 0.1 mol %, the -alkylation products were obtained in high yields and with enantiomeric ratios up to 98:2 at the newly generated chiral sulfur center. The -alkylation products were efficiently converted to a variety of sulfoximines with complete retention of stereochemistry. The utility of this approach was further demonstrated by the asymmetric synthesis of a complex sulfoximine agrochemical.
Topics: Agrochemicals; Alkylation; Carbon; Catalysis; Molecular Structure; Nitrogen; Pharmaceutical Preparations; Rhodium; Stereoisomerism; Sulfamerazine; Sulfur
PubMed: 36154032
DOI: 10.1021/jacs.2c09158 -
Scientific Reports May 2020Sulfadiazine (SD), sulfamerazine (SM1), and sulfamethazine (SM2) are widely used and disorderly discharged into surface water, causing contamination of lakes and rivers....
Sulfadiazine (SD), sulfamerazine (SM1), and sulfamethazine (SM2) are widely used and disorderly discharged into surface water, causing contamination of lakes and rivers. However, microalgae are regard as a potential resource to alleviate and degrade antibiotic pollution. The physiological changes of Chlorella vulgaris in the presence of three sulfonamides (SAs) with varying numbers of -CH groups and its SA-removal efficiency were investigated following a 7-day exposure experiment. Our results showed that the growth inhibitory effect of SD (7.9-22.6%), SM1 (7.2-45.9%), and SM2 (10.3-44%) resulted in increased proteins and decreased soluble sugars. Oxidative stress caused an increase in superoxide dismutase and glutathione reductase levels but decreased catalase level. The antioxidant responses were insufficient to cope-up with reactive oxygen species (hydrogen peroxide and superoxide anion) levels and prevent oxidative damage (malondialdehyde level). The ultrastructure and DNA of SA-treated algal cells were affected, as evident from the considerable changes in the cell wall, chloroplast, and mitochondrion, and DNA migration. C. vulgaris-mediated was able to remove up to 29% of SD, 16% of SM1, and 15% of SM2. Our results suggest that certain concentrations of specific antibiotics may induce algal growth, and algal-mediated biodegradation process can accelerate the removal of antibiotic contamination.
Topics: Anti-Bacterial Agents; Catalase; Chlorella vulgaris; Chlorophyll; Fresh Water; Glutathione Reductase; Malondialdehyde; Microalgae; Oxidative Stress; Photosynthesis; Reactive Oxygen Species; Sulfonamides; Superoxide Dismutase; Water Pollutants
PubMed: 32427937
DOI: 10.1038/s41598-020-65219-2 -
Scientific Reports Apr 2019Type 2 diabetes mellitus (T2DM) is a multi-factorial disease which can cause multiple organ dysfunction, including that of the vascular endothelium. The aim of the...
Type 2 diabetes mellitus (T2DM) is a multi-factorial disease which can cause multiple organ dysfunction, including that of the vascular endothelium. The aim of the present study was to evaluate the effects of metformin, and its sulfenamide and sulfonamide derivatives (compounds 1-8) on the selected markers of endothelial function and blood coagulation. The integrity of endothelial cells(ECs) was examined using the real-time cell electric impedance system. Tissue Factor(TF) production, the release of von Willebrand Factor (vWF) and tissue plasminogen activator(t-PA) from ECs were determined using immunoenzymatic assays, while the process of platelet thrombus formation using the Total Thrombus-Formation Analysis System. Sulfenamide with n-butyl alkyl chain(3) does not interfere with ECs integrity, and viability (nCI = 1.03 ± 0.03 vs. 1.06 ± 0.11 for control), but possesses anticoagulation properties manifested by prolonged platelet-dependent thrombus formation (Occlusion Time 370.3 ± 77.0 s vs. 286.7 ± 65.5 s for control) in semi-physiological conditions. Both p- and o-nitro-benzenesulfonamides (compounds7,8) exhibit anti-coagulant properties demonstrated by decreased vWF release and prolonged parameters of platelet thrombus formation and total blood thrombogenicity. In conclusion, chemical modification of metformin scaffold into sulfenamides or sulfonamides might be regarded as a good starting point for the design and synthesis of novel biguanide-based compounds with anticoagulant properties and valuable features regarding endothelial function.
Topics: Diabetes Mellitus, Type 2; Human Umbilical Vein Endothelial Cells; Humans; Metformin; Myocytes, Smooth Muscle; Sulfamerazine; Sulfonamides; Thromboplastin; von Willebrand Factor
PubMed: 31024058
DOI: 10.1038/s41598-019-43083-z -
RSC Advances Apr 2018The residues of sulfonamides in the environment have received widespread attention because of their potential hazards. In this study, the potential of peanut shells for...
The residues of sulfonamides in the environment have received widespread attention because of their potential hazards. In this study, the potential of peanut shells for antibiotic removal from aqueous solutions was investigated for four antibiotics (sulfamerazine, sulfamethazine, sulfathiazole, and sulfamethoxazole). The properties of the peanut shells were characterized using Brunauer-Emmett-Teller method, X-ray photoelectron spectroscopy, scanning electron microscopy and Fourier-transform infrared spectroscopy analyses, and the results of the analyses showed that the significant properties of peanut shells were mainly attributed to the antibiotics' adsorption process. A batch adsorption experiment was conducted to study the effect of dosage, concentration, and water factors (Fe, Mn, and Ca) on antibiotic adsorption. Adsorption kinetics and isotherms were also studied. The kinetic data showed that a pseudo-second order kinetic model fitted the experimental data, the adsorption isotherm experimental data fitted the Henry linear adsorption model well, and methanol was found to be an effective eluent for desorption of the antibiotics. The results indicate that peanut shells are a promising material for the removal of antibiotics from contaminated water, when present at low initial concentrations.
PubMed: 35542553
DOI: 10.1039/c7ra11796e