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In this study, ascorbic acid (AA) and cysteine (Cys) were used as homogeneous potassium persulfate (S2O82−) activators. The efficiency of the S2O82−/AA and S2O82−/Cys systems was investigated to generate sulfate radicals (SO4−•) for the oxidation of sulfathiazole (STZ). The presence of AA and Cys displayed a promoting effect on the activation of S2O82−. The results indicated that the STZ/S2O82− redox reaction followed pseudo‐first order kinetics with respect to STZ concentrations. The oxidative degradation of STZ is accelerated by temperature, dose of S2O82−, AA, Cys, and pH with S2O82−/AA and/or S2O82−/Cys systems. The degradation rates of STZ followed the order S2O82−/AA > S2O82−/Cys > S2O82− under similar experimental conditions. The presence of SO4−• and HO• were tested with two radical scavengers, tertiary butanol (TBA) and ethanol, in which HO• was mainly responsible for STZ degradation at higher pH. In summary, S2O82−/AA and S2O82−/Cys systems might provide a potentially useful technique for remediation of water contaminants. [ABSTRACT FROM AUTHOR]

In pursuit of improving dyeability and incorporating antimicrobial attributes into polyamide fabric, a series of mono-azo acid dyes (SN1–SN5) were synthesized. Sulfathiazole was employed as an intermediate in the synthesis process of the dyestuff. The resultant dyes were characterized by employing various analytical techniques. The antimicrobial efficiency of these colorant was established through testing against Aspergillus fumigatus, Staphylococcus aureus, and Escherichia coli, displaying a spectrum of mild to strong antibacterial activity. Dye SN5 exhibited the highest potency, showing growth inhibition of 90% and 95% against both bacterial strains, respectively. Since the acid dyes are the prime contenders for utilization in food, pharmaceuticals, and cosmetics, an assessment was conducted on BJ Human Fibroblast Cells to evaluate any plausible adverse impacts. The results revealed that all the dyes exhibited no cytotoxicity. The dyeing properties of these colorants, including color representation, build-up, exhaustion, and fixation, were thoroughly examined following their application on the fabrics. The fastness properties were found to be considerably good to excellent. The influence of acidic and alkaline conditions on the absorption maxima was also explored. The dye SN3 showed a substantial bathochromic shift with increase in the solution's acidity in comparison to other dyes. [ABSTRACT FROM AUTHOR]

The purpose of this work is to synthesize and describe the original Schiff base and its Palladium (II) metal complex, exploring their antimicrobial properties. The base compound, Sulphathiazole was prepared, and a new Schiff base ligand was formed using salicylaldehyde. With PdCl2 metal salt, the Schiff base ligand's metal complex was made. The synthesized ligand and complex structure were determined using techniques including FT-IR, elemental analysis, UV-vis, 1H-NMR, SEM, and magnetic susceptibility. Additionally, the antibacterial and antifungal properties of the complex and the ligand of metal were examined. An octahedral structure was found for the Pd (II) complex, and this complex compound generally demonstrated more effective antimicrobial activity compared to the ligand. [ABSTRACT FROM AUTHOR]

The beta-lactams are recognized as effective antibiotics for treating infections, yet bacterial production of β-lactamase, which hydrolyzes the beta-lactam ring, can render these drugs inactive. Combining these antibiotics with a β-lactamase inhibitor, such as clavulanic acid, mitigates this resistance. In a docking study involving Temoniera-1 (TEM-1), 1pzp, we induced the synthesis of eight amide compounds by reacting acid chloride derivatives with sulphathiazol or oxadiazol amine, forming an amide bond. The newly synthesized compounds were differentiated using physical and spectroscopic methods and verified biologically by estimating their minimum inhibitory concentration (MIC) against four strains of βlactamase G(+)ve and G(-)ve bacteria. Their anti β-lactamase behaviors were then compared with that of clavulanic acid as a co-inhibitor with amoxicillin against the same four strains of bacteria. The results indicate that four of the new amides exhibit excellent anti-β-lactamase activity and contain one or more hydrophobic residues in their structures. Halogen atoms enhance the selectivity of tower β-lactamases. Derivatives of both oxadiazole and sulfathiazole scaffolds show promising anti-β-lactamase activity as nonβ-lactam inhibitors. [ABSTRACT FROM AUTHOR]

Taking into the account the advantages of surfactant micelles as drug carrier, the interaction of sulfathiazole (STZ) with three types of surfactants, namely, cationic cetyltrimethylammonium bromide (CTAB), anionic sodium dodecyl sulfate (SDS), and non-ionic t-octylphenoxypolyethoxyethanol (TX-100) has been studied by using UV–visible spectroscope and conductivity measurements. The critical micelle concentration (CMC), degree of ionization (α), counter ion binding constant (β), free energy change of micellization (ΔG0m), relative solubility (St/S0), STZ-surfactant interaction constant (θ), approximate number (n) of STZ molecules incorporated per micelle, heat capacity (ΔC0m), and transfer of thermodynamic parameters were calculated and discussed for both the systems. The CMC values of CTAB and SDS were found to decrease in presence of increasing STZ concentrations. The values of counter ions dissociation were also found to be dependent of temperature. The ΔG0m values are obtained to be negative of both systems. A comparison of the binding constants (KC) calculated from the Kawamura equation indicated that the solubilization tendency of STZ with CTAB is much higher than that with SDS micelles. However, this interaction was weak since no significant change in the micellization phenomenon was observed with TX-100 under our experimental conditions.

In this paper, UV/NH2Cl process was used to research the degradation of sulfathiazole (STZ) and the formation of disinfection by-products (DBPs) after disinfection were detected. UV and NH2Cl process showed a synergistic effect on the removal of STZ. Natural organic matter and CO32− inhibited the STZ degradation, NO3− promoted the degradation of STZ, whereas NH2Cl concentration, HCO3− and Cl− had dual effects on the removal of STZ. The removal of STZ by UV/NH2Cl was slightly influenced by pH. The contribution of reactive chlorine species and reactive nitrogen species to STZ degradation was significantly higher than that of HO·. Possible STZ degradation pathways were presented by analyzing intermediate products. In addition, the pretreatment of UV/NH2Cl significantly reduced the formation of DBPs during NH2Cl or NaClO disinfection. In conclusion, UV/NH2Cl process is an effective water treatment technology and can be well applied for practical purposes.

Understanding the adsorption behavior of antibiotic molecules on minerals is crucial for determining the environmental fate and transport of antibiotics in soils and waters. However, the microscopic mechanisms that govern the adsorption of common antibiotics, such as the molecular orientation during the adsorption process and the conformation of sorbate species, are not well understood. To address this gap, we conducted a series of molecular dynamics (MD) simulations and thermodynamics analyses to investigate the adsorption of two typical antibiotics, tetracycline (TET) and sulfathiazole (ST), on the surface of montmorillonite. The simulation results indicated that the adsorption free energy ranged from − 23 to − 32 kJ·mol−1, and − 9 to − 18 kJ·mol−1 for TET and ST, respectively, which was consistent with the measured difference of sorption coefficient (Kd) for TET-montmorillonite of 11.7 L·g−1 and ST-montmorillonite of 0.014 L·g−1. The simulations also found that TET was adsorbed through dimethylamino groups (85% in probability) with a molecular conformation vertical to the montmorillonite’s surface, while ST was adsorbed through sulfonyl amide group (95% in probability) with vertical, tilted and parallel conformations on the surface. The results confirmed that molecular spatial orientations could affect the adsorption capacity between antibiotics and minerals. Overall, the microscopic adsorption mechanisms revealed in this study provide critical insights into the complexities of antibiotics adsorption to soil and facilitate the prediction of adsorption capacity of antibiotics on minerals and their environmental transport and fate. This study contributes to our understanding of the environmental impacts of antibiotic usage and highlights the importance of considering molecular-level processes when assessing the fate and transport of antibiotics in the environment.

A fluorescence polarization immunoassay has been developed for the detection of the antibacterial sulfathiazole. The latter belongs to the sulfonamide class of antibacterial, which is used in beekeeping for the prevention and treatment of infectious diseases of bees. The assay conditions, which ensure the achievement of high analytical characteristics, are determined. The duration of the analysis is 5 min; the limit of sulfathiazole detection is 3 ng/mL. A study of the assay selectivity concerning other sulfonamides demonstrated high specificity only towards sulfathiazole. An optimal method of sample preparation before control honey contamination was proposed. The effectiveness of the developed analysis for the detection of sulfathiazole in honey samples was confirmed. The developed fluorescent polarization immunoassay is a rapid and efficient analytical system for rapid and sensitive control of honey quality and safety. [ABSTRACT FROM AUTHOR]

Sulfathiazole is an antimicrobial belonging to the family of sulfonamides, which were the first antibiotics to be discovered. Sulfathiazole is generally administered orally, and its main disadvantage is that it has low aqueous solubility, requiring high doses for its administration. This fact has led to side effects and the generation of bacterial resistance to the drug over time. The improvement of its solubility would mean not having to administer such high doses in its treatment. At the same time, montmorillonite is a natural, low-cost, non-toxic, biocompatible clay with a high adsorption capacity. It is potentially useful as a nanocarrier to design sulfathiazole dosage forms. In this work, the interaction between the drug and the clay mineral has been studied from an experimental and computational atomistic point of view to improve the drug's biopharmaceutical profile. The results showed the potential enhancement of the drug solubility due to the correct adsorption of the sulfathiazole in the clay interlayer space. As a result of the inclusion of sulfathiazole in the interlayer of the clay mineral, the solubility of the drug increased by 220% concerning the pristine drug. Experimentally, it was not possible to know the number of drug molecules adsorbed in the interlayer space or the external surface of the carrier. Theoretical studies will enable the knowledge of the stoichiometry of the drug/clay hybrids, with three molecules in the interlayer space being the most favorable process. The resultant basal spacing was in agreement with the experimental results. [ABSTRACT FROM AUTHOR]

A rationalization of the alternative crystal structures adopted by a given molecular compound or by a set of substitutionally related molecular compounds is provided by reference to the five known polymorphs of sulfathiazole and 16 substituted 2‐benzyl‐5‐benzylidene cyclopentanones (BBCPs), respectively. Two‐dimensional (2D) packing fractions (ϕ2D) take space‐group symmetry into account, with a clear demarcation of closed‐packed zones (CPZ) and molecular junction zones (JZ) in all Z′ = 1 structures. Representation of the molecules as two linked rods allows a concise treatment of conformation and rapid visualization of crystal packing. Combined with calculations of intermolecular potential energies, the rod method provides insight into the stabilization mechanisms of alternative polymorphs. In sulfathiazole, the primary factor is to obtain satisfactory hydrogen bonding, with close packing a secondary consideration. In BBCP derivatives, by comparison, close packing is the primary mechanism of stabilization. Whereas the 2D structures arising in CPZ can be analysed as tessellations of molecular‐based cells, a method based on 2D Dirichlet cells is required for the JZ. These are calculated from the centroids of the molecular envelopes in high‐symmetry planes. It is shown that these centroid coordinates, when combined with space‐group symmetry and unit cell coordinates, provide a concise parameterization of all structures containing JZ. It is anticipated that this parameterization may be exploited to predict such crystal structures from powder diffraction data. [ABSTRACT FROM AUTHOR]

In this study, we have developed a novel, hypersensitive, and ultraselective electrochemical sensor containing thermally annealed gold–silver alloy nanoporous matrices (TA-Au-Ag-ANpM) integrated with f -MWCNTs-CPE and poly(l -serine) nanocomposites for the simultaneous detection of sulfathiazole (SFT) and sulfamethoxazole (SFM) residues in honey, beef, and egg samples. TA-Au-Ag-ANpM/ f -MWCNTs-CPE/poly(l -serine) was characterized using an extensive array of analytical (UV–Vis, FT-IR, XRD, SEM, and EDX), and electrochemical (EIS, CV and SWV) techniques. It exhibited outstanding performance over a wide linear range, from 4.0 pM to 490 μM for SFT and 4.0 pM to 520 μM for SFM, with picomolar detection and quantification limits (0.53 pM and 1.75 pM for SFT, 0.41 pM and 1.35 pM for SFM, respectively). The sensor demonstrated exceptional repeatability, reproducibility, and anti-interference capability, with percentage recovery of 95.6–102.4% in food samples and RSD below 5%. Therefore, the developed sensor is an ideal tool to address the current antibiotic residue crisis in food sources. [Display omitted] • A novel electrochemical sensor for the simultaneous detection of SFT and SFM residues • The sensor shown remarkable performance within a wide linear range and picomolar LOD • The sensor showed exceptional reproducibility, repeatability, selectivity and stability • Addresses the global antibiotic residue crisis with remarkable detection capability [ABSTRACT FROM AUTHOR]

In this study, a simple colorimetric method was established to detect copper ion (Cu2+), sulfathiazole (ST), and glucose based on the acetylcholinesterase (AChE)-like activity of zeolitic imidazolate framework-8 (ZIF-8). The AChE-like activity of ZIF-8 can hydrolyze acetylthiocholine chloride (ATCh) to thiocholine (TCh), which will further react with 5,5′-dithiobis (2-nitrobenzoic acid) (DTNB) to generate 2-nitro-5-thiobenzoic acid (TNB) that has a maximum absorption peak at 405 nm. The effects of different reaction conditions (buffer pH, the volume of ZIF-8, reaction temperature and time, and ATCh concentration) were investigated. Under the optimized conditions, the value of the Michaelis-Menten constant (Km) is measured to be 0.83 mM, which shows a high affinity toward the substrate (ATCh). Meanwhile, the ZIF-8 has good storage stability, which can maintain more than 80.0% of its initial activity after 30 days of storage at room temperature, and the relative standard deviation (RSD) of batch-to-batch (n = 3) is 5.1%. The linear dependences are obtained based on the AChE-like activity of ZIF-8 for the detection of Cu2+, ST, and glucose in the ranges of 0.021–1.34 and 5.38–689.66 µM, 43.10–517.24 µM, and 0.0054–1.40 mM, respectively. The limit of detections (LODs) are calculated to be 20.00 nM, 9.25 µM, and 5.24 µM, respectively. Moreover, the sample spiked recoveries of Cu2+ in lake water, ST in milk, and glucose in strawberry samples were measured, and the results are in the range of 98.4–115.4% with the RSD (n = 3) lower than 3.3%. In addition, the method shows high selectivity in the real sample analysis. [ABSTRACT FROM AUTHOR]

Cocrystals are of immense applications in crystal engineering and pharmaceutical chemistry. Sulfathiazole is found to form cocrystals with theophylline (S1) and sulfanilamide (S2). The experimental and computed values assigned by potential energy distribution. Further natural bond orbital analysis, nonlinear optical properties, frontier molecular orbitals and molecular geometries were also calculated. Frontier orbital energies are used to predict the energy properties and model the possible charge transfer between the cocrystal constituents. The molecular electrostatic potential (MEP) surface reveals the various reactive surfaces in the cocrystal system, which is very important in deciding various biological activities. The ultraviolet-visible (UV-Vis) spectra show the possible electronic transitions of the molecules. Simulated electronic spectra using time dependent density functional theory (TDDFT) method with Coulomb-attenuating method, Becke 3-parameter, Lee-Yang-Parr (CAM-B3LYP) functional was used to investigate the suitability of the cocrystals to be used in dye-sensitized solar cell (DSSC). Moreover docking proves that S1 and S2 cocrystals act as potential inhibitors and paves the way for developing effective drugs. [ABSTRACT FROM AUTHOR]

[Display omitted] • Self-sacrificial template-directed method to prepare mesoporous CuO micro/nanoplates. • CuO plates are examined as a highly efficient photo-Fenton-like catalyst. • 100% sulfathiazole degradation and 87.3 % TOC removal under vis LED irradiation. • Excellent reusability up to the five cycles. In this study, we offer a simple self-sacrificial template-directed method to prepare mesoporous CuO micro/nanoplates by using copper hydroxide acetate (Cu 2 (OH) 3 (CH 3 COO)·H 2 O) plates as a template. The as-prepared material was structurally, morphologically, optically and texturally characterized and its excellent catalytic activity in the LED-driven photo-Fenton-like process of sulfathiazole oxidation was demonstrated. Within 90 min, 100 % sulfathiazole degradation and 87.3 % TOC removal were achieved in the presence of H 2 O 2 and visible LED irradiation. Moreover, the degradation of sulfathiazole can still reach 96.1 % after five cycles, which indicates exceptional performance of the catalyst. [ABSTRACT FROM AUTHOR]

In this study, we focused on the successful construction of [(4,4′-bipy/P 2 Mo 17 Co) 6 ] modified electrodes using the layer-by-layer assembly method for the sensitive detection of sulfathiazole (ST). The redox reaction between ST and the metal ions in the modified layer leads to the transfer of electrons, resulting in the generation of the electrical signal. The introduction of 4,4′-bipyridine (4,4′-bipy) enhanced the molecular recognition of ST by the modified electrode. Under the combined effect of P 2 Mo 17 Co and 4,4′-bipy, the sensor exhibited good performance for ST detection (LOD: 0.5616 μM, linear ST concentration range: 0–50 μM). The spiked recoveries of the two groups were 84.4%–103.2% and 90.9%–109.4% for the determination of ST residues in large yellow croaker and South American white shrimp, respectively. In addition, the electrode showed excellent performance in terms of stability, reproducibility, and anti-interference ability. [Display omitted] • Rapid detection and quantitative analysis of sulfathiazole residues in aquatic products. • A novel POMs electrochemical sensor for sulfonamide residue analysis was developed. • Preparation of [(4,4′-bipy/P 2 Mo 17 Co) 6 ] modified electrodes using the LBL method. • Modified electrodes based on P 2 Mo 17 Co and 4,4′-bipyridine improved detection sensitivity. [ABSTRACT FROM AUTHOR]

The reaction activity of CuFeO 2 as Fenton-like catalyst ways suffered from the low H 2 O 2 utilization efficiency. For this issue, CuFeO 2 @ZnO with core-shell structure was prepared via the hydrothermal method. The optimal catalyst CuFeO 2 @ZnO(20:4) exhibited a 2.6-fold higher H 2 O 2 utilization efficiency compared with the pristine CuFeO 2. Consequently, the degradation activity towards sulfathiazole correspondingly increased by 4.7 times. Meanwhile, the degradation rates of tetracycline and ciprofloxacin were up to 100 % and 84.13 %, which showed the universality of degradation. Combined with the results of ICP-MS, it can be seen that the core-shell structure can effectively immobilize reactive metal ions and inhibit their leaching. The TPD-NH 3 , phosphate capture experiments and DFT calculations demonstrated that ZnO could increase the Lewis acidity on the surface of CuFeO 2 , promote the adsorption of H 2 O 2 , and enhance the transport rate between H 2 O 2 and CuFeO 2 to significantly improve the utilization of H 2 O 2. Lewis acid promotes Fe(III)/Fe(II) cycling as shown by XPS and impedance. Based on the synergistic effect of promoting H 2 O 2 adsorption and Fe species recycling. Significantly enhanced Fenton-like degradation activity of CuFeO 2 @ZnO(20:4). This study provides a new perspective to improve the degradation activity of CuFeO 2 -based catalysts. [Display omitted] • ZnO was ultilized to elevate the Lewis acidity of CuFeO 2. • Lewis acid significantly promotes H 2 O 2 adsorption and Fe(III)/Fe(II) cycling. • H 2 O 2 utilization increased to 63.85 %, a 2.6-fold improvement. • The degradation activity towards sulfathiazole was enhanced by 4.7 times. • The core-shell structure inhibits metal leaching. [ABSTRACT FROM AUTHOR]

The sulfonamide–zinc ion interaction, performing a key role in various biological contexts, is the focus of the present study, with the aim of elucidating ligation motifs in zinc complexes of sulfa drugs, namely sulfadiazine (SDZ) and sulfathiazole (STZ), in a perturbation-free environment. To this end, an approach is exploited based on mass spectrometry coupled with infrared multiple photon dissociation (IRMPD) spectroscopy backed by quantum chemical calculations. IR spectra of Zn(H2O+SDZ−H)+ and Zn(H2O+STZ−H)+ ions are consistent with a three-coordinate zinc complex, where ZnOH+ binds to the uncharged sulfonamide via N(heterocycle) and O(sulfonyl) donor atoms. Alternative prototropic isomers Zn(OH2)(SDZ−H)+ and Zn(OH2)(STZ−H)+ lie 63 and 26 kJ mol−1 higher in free energy, respectively, relative to the ground state Zn(OH)(SDZ)+ and Zn(OH)(STZ)+ species and do not contribute to any significant extent in the sampled population. [ABSTRACT FROM AUTHOR]

Aquatic pollution caused by antibiotics poses a significant threat to human health and the ecosystem. Inspired from “Emmental Cheese” that owns lots of natural pores, we here fabricated a hierarchical cheese-like porous Spirulina residue biochar (KSBC) activated by KHCO3 for efficiently boosting the removal of sulfathiazole (STZ). Through learning form nature that the CO2 produced by bacteria can serve as the natural pore maker (like cheese-making), KHCO3 was thus selected as the gas generating agent in this study. The effect of adding KHCO3 on the surface properties of KSBC was comprehensively investigated. Benefiting from the activation, the KSBC with the mass ratio of 2:1 (2K-SBC) possessed the largest specific surface areas (1100 m2 g−1), which was approximately 81 times that of the original (not activated) Spirulina residue biochar (SBC) (13.56 m2 g−1). Moreover, 2K-SBC exhibited the maximum adsorption capacity for STZ (218.4 mg g−1), dramatically higher than the SBC (25.78 mg g−1). The adsorption kinetics and adsorption isotherms exhibited that the adsorption behavior of 2K-SBC for STZ was consistent with the pseudo-second-order and Langmuir models. Additionally, the adsorption thermodynamics revealed that the adsorption of STZ on 2K-SBC was spontaneous and exothermic. The pore-filling and electrostatic interaction were considered the main mechanism for the adsorption of STZ on 2K-SBC, whereas the π-π electron donor-acceptor (EDA) interaction and hydrogen bond would also partially contribute to the adsorption process.

Azo compounds studied as prodrugs of sulfacetamide and sulfathiazole were prepared by diazotization reaction in which sulfacetamide and sulfathiazole were coupled with salicylic acid. The newly synthesized azo compounds were inoculated with Pseudomonas aeruginosa bacterium species which secrete the azoreductase enzyme causing the release of the parent compound. These results have been utilized to propose that azoreductase enzyme acts for the reduction of -N=N-. The mechanism of the reaction is discussed on the basis of release in terms of the formation of compounds like sulfacetamide/sulfathiazole and mesalamine. The use of bacteria as an enzyme producing agent, and released compounds acting as the anti-ulcer agent can find a variety of applications for colon targeting agents in the field of medicinal chemistry. [ABSTRACT FROM AUTHOR]

A number of important fused heterocyclic systems have been prepared by the reaction of 4-((3,5-diamino-1H-pyrazol-4-yl)-diazenyl)-N-(thiazol-2-yl)-benzenesulfonamide with some bifunctional nucleophiles such as ethyl acetoacetate, acetylacetone or arylidenemalonononitrile derivatives to obtain pyrazolo[1,5-a]pyrimidine derivatives. The structures of the newly synthesized compounds were determined based on their IR, 1H and 13C NMR and mass spectroscopic data. Most of the compounds produced showed good antibacterial and antifungal activity.

Sulfathiazole is an antimicrobial belonging to the family of sulfonamides, which were the first antibiotics to be discovered. Sulfathiazole is generally administered orally, and its main disadvantage is that it has low aqueous solubility, requiring high doses for its administration. This fact has led to side effects and the generation of bacterial resistance to the drug over time. The improvement of its solubility would mean not having to administer such high doses in its treatment. At the same time, montmorillonite is a natural, low-cost, non-toxic, biocompatible clay with a high adsorption capacity. It is potentially useful as a nanocarrier to design sulfathiazole dosage forms. In this work, the interaction between the drug and the clay mineral has been studied from an experimental and computational atomistic point of view to improve the drug’s biopharmaceutical profile. The results showed the potential enhancement of the drug solubility due to the correct adsorption of the sulfathiazole in the clay interlayer space. As a result of the inclusion of sulfathiazole in the interlayer of the clay mineral, the solubility of the drug increased by 220% concerning the pristine drug. Experimentally, it was not possible to know the number of drug molecules adsorbed in the interlayer space or the external surface of the carrier. Theoretical studies will enable the knowledge of the stoichiometry of the drug/clay hybrids, with three molecules in the interlayer space being the most favorable process. The resultant basal spacing was in agreement with the experimental results.

In this study, the modulation of amounts sulfathiazolium cations in different 2,6‐pyridinedicarboxylates is demonstrated. An uncommon monoionic sulfathiazolium zinc 2,6‐pyridinedicarboxylate (1:1 electrolyte) complex was characterized. Conventional sulfathiazolium zinc‐bis‐2,6‐pyridinedicarboxylate dianionic complexes (2:1 electrolyte) were formed when hydroxyaromatic compounds such as 1,3‐dihydroxybenzene or 3‐nitrophenol were used as guest components. Thus, with the aid of the hydroxyaromatic molecules the zinc‐bis‐2,6‐pyridinedicarboxylate complexes were stabilized with the relatively large sized sulfathiazolium cations. It was a consequence of domain expansion by the phenolic compounds. Sandwiched aromatic guests between the 2,6‐pyridinedicarboxylates provided appropriate packing to accommodate the two large cations in the self‐assemblies, which helped to modulate the amounts of sulfathiazole in different formulations. Antibacterial activities with E. coli DH5α have shown that the salt and the complexes have lower g/ml antibacterial activity than the parent drug. [ABSTRACT FROM AUTHOR]

Sulfonamide group is an important scaffold used for generating new building blocks with diverse biological activities. Considering priority of the sulfonamide structure, seven new sulfathiazole derivatives were synthesized and evaluated for their antiproliferative activity, in this study. Compounds 2a–g were synthesized using a two-step synthetic procedure starting from commercially available sulfathiazole. The antiproliferative activity of the compounds was investigated against A549 and NIH/3T3 cell lines by MTT assay, matrix metalloproteinase-9 (MMP-9) and cathepsin inhibition tests. Compound 2b bearing triazole ring exhibited highest inhibitory activity (IC50: 12.33 μg/mL) with selective profile which was better than cisplatin and it also inhibited MMP-9 with 53.67% percentage. Compounds 2c and 2e inhibited cathepsin L with percentages of 62.75 and 57.25%, whereas cathepsin D was poorly inhibited by the compounds. Target compounds exhibited high to moderate antiproliferative activity and they displayed higher MMP-9 inhibition than cathepsin inhibition activity. 2b and 2e were identified as the most active compounds when evaluated, biologically. [ABSTRACT FROM AUTHOR]

In this study, a simple colorimetric method was established to detect copper ion (Cu2+), sulfathiazole (ST), and glucose based on the acetylcholinesterase (AChE)-like activity of zeolitic imidazolate framework-8 (ZIF-8). The AChE-like activity of ZIF-8 can hydrolyze acetylthiocholine chloride (ATCh) to thiocholine (TCh), which will further react with 5,5′-dithiobis (2-nitrobenzoic acid) (DTNB) to generate 2-nitro-5-thiobenzoic acid (TNB) that has a maximum absorption peak at 405 nm. The effects of different reaction conditions (buffer pH, the volume of ZIF-8, reaction temperature and time, and ATCh concentration) were investigated. Under the optimized conditions, the value of the Michaelis-Menten constant (Km) is measured to be 0.83 mM, which shows a high affinity toward the substrate (ATCh). Meanwhile, the ZIF-8 has good storage stability, which can maintain more than 80.0% of its initial activity after 30 days of storage at room temperature, and the relative standard deviation (RSD) of batch-to-batch (n = 3) is 5.1%. The linear dependences are obtained based on the AChE-like activity of ZIF-8 for the detection of Cu2+, ST, and glucose in the ranges of 0.021–1.34 and 5.38–689.66 µM, 43.10–517.24 µM, and 0.0054–1.40 mM, respectively. The limit of detections (LODs) are calculated to be 20.00 nM, 9.25 µM, and 5.24 µM, respectively. Moreover, the sample spiked recoveries of Cu2+ in lake water, ST in milk, and glucose in strawberry samples were measured, and the results are in the range of 98.4–115.4% with the RSD (n = 3) lower than 3.3%. In addition, the method shows high selectivity in the real sample analysis.

A novel pyrene‐sulfathiazole‐based potential drug candidate 3 was designed, successfully synthesized by a condensation reaction of pyrenecarboxaldehyde (1) with sulfathiazole (2) in good yield, and fully characterized by NMR, IR, UV‐Vis, and HRMS spectroscopic techniques. The TD‐DFT/B3LYP calculations displayed that the recorded peaks at 396, 377, 280, and 236 nm were due to the mainly n‐π* and partially π‐π* transitions that occurred on pyrene, azomethine, and sulfathiazole moieties. The NBO results disclosed that the electron delocalizations happened onto sulfathiazole, aromatic rings (pyrene and Ph‐), and azomethine groups had the main responsibility of the lowering stabilization energy of compound 3. The NMR shifts were calculated by using the GIAO approaches in the DMSO phase and compared with the relevant data recorded. The thermodynamic and quantum chemical quantities were used for elucidating the physicochemical properties and reactivity behavior, in THF, DMSO, and water simulation environments. Accordingly, the calculated DM (D) and α (au) order of compound 3 were calculated in the order of vacuum

[Display omitted] • A novel Si 3 N 4 -PbO 2 nanocomposite electrode was fabricated and characterized. • Si 3 N 4 -PbO 2 electrode showed extreme long accelerated life. • Si 3 N 4 -PbO 2 electrode could treat sulfathiazole and sulfonamides efficiently. • Degradation mechanism of sulfathiazole were explored by GC-MS. • Several theoretical calculations were established by VASP and Multiwfn software. To lengthen the lifetime and extend the potential commercial applications of lead dioxide electrode, herein, a novel multilayer heterojunction Ti/ SnO 2 -Sb 2 O 3 / graphene oxide/ carbon nanotube/ Si 3 N 4 -PbO 2 electrode (Si 3 N 4 -PbO 2 electrode) was fabricated by co-electrodeposition process that doping Si 3 N 4 nanoparticles in eletroplating solution. Various spectroscopic and microscopic techniques, including scanning electron microscopy (SEM) equipped with energy dispersive spectroscopy (EDS), X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS), were employed to characterize the surface of the fabricated electrode. The EDS analysis confirmed the successful attachment of 5.49 %wt Si and 2.46 %wt N elements from Si 3 N 4 nanoparticles onto the PbO 2 surface, while the XRD results indicated a shift in the preferred orientation of PbO 2 grains from β(1 1 0) to β(1 0 1). The water adsorption energy and ·OH desorption energy in the electrocatalysis process were determined to be 0.71 eV and 0.241 eV through theoretical calculating. Subsequently, the Si 3 N 4 -PbO 2 electrode was employed as an anode for the electrocatalytic degradation of sulfathiazole-simulated wastewater and real sulfonamides wastewater. Under optimized conditions determined via response surface methodology (RSM), the COD degradation efficiency reached 69.37 % for sulfathiazole and 62.35 % for real sulfonamides wastewater. The final COD concentration of the real sulfonamides wastewater was reduced to 77.05 mg/L, under the national urban sewage discharge standard. Finally, the degradation mechanism and pathway of sulfathiazole has been arranged based on the electron spin resonance (ESR), cyclic voltammetry (CV), while the intermediates were detected by Gas Chromatography-Mass Spectrometer (GC-MS) and the reactive sites of sulfathiazole were predicted by using Fukui function. [ABSTRACT FROM AUTHOR]

UV/O3, UV/H2O2, UV/Na2S2O8, UV/O3/H2O2, and UV/UV/Na2S2O8 systems were used to mineralize sulfamethoxazole (SMX) and sulfathiazole (STZ). The effects of pH and salinity on sulfonamide mineralization were determined. The mineralization of sulfonamides exhibited pseudo-firstorder kinetics. At pH 5, the pseudo-first-order rate constants (k) of SMX in the UV/O3, UV/H2O2, UV/Na2S2O8, UV/O3/H2O2, and UV/O3/Na2S2O8 systems were 0.0193, 0.0011, 0.0022, 0.0172, and 0.0925 min-1, respectively, and those of STZ were 0.0238, 0.0011, 0.0031, 0.0201, and 0.0536 min-1, respectively. At pH 5, adding Na2S2O8 to the UV/O3 system promoted sulfonamide mineralization, whereas adding H2O2to the UV/O3 system inhibited it. At pH 9, adding Na2S2O8 or H2O2 to the UV/ O3 system promoted sulfonamide mineralization. The highest efficiency of mineralization for both SMX and STZ was achieved using the UV/O3/Na2S2O8 system and the efficiency followed the order pH 5 > pH 7 > pH 9. In the UV/O3/Na2S2O8 system at pH 9, adding 0.62 mM salinity reduced the k value of SMX from 0.0224 to 0.0181 min-1 and that of STZ from 0.0322 to 0.0233 min-1 . In the UV/O3/ H2O2 system at pH 9, adding 0.62 mM salinity reduced the k value of SMX from 0.0137 to 0.0065 min-1 and that of STZ from 0.0159 to 0.0072 min-1 . The figure-of-merit electrical energy per order was used to estimate the electrical energy efficiencies of the systems. At pH 5, the UV/O3/Na2S2O8 system exhibited the highest energy efficiency for SMX mineralization whereas the UV/Na2S2O8system did so for STZ mineralization. The highest energy efficiency system varied with the parent compound. [ABSTRACT FROM AUTHOR]

The sulfonamide–zinc ion interaction, performing a key role in various biological contexts, is the focus of the present study, with the aim of elucidating ligation motifs in zinc complexes of sulfa drugs, namely sulfadiazine (SDZ) and sulfathiazole (STZ), in a perturbation-free environment. To this end, an approach is exploited based on mass spectrometry coupled with infrared multiple photon dissociation (IRMPD) spectroscopy backed by quantum chemical calculations. IR spectra of Zn(H2O+SDZ−H)+ and Zn(H2O+STZ−H)+ ions are consistent with a three-coordinate zinc complex, where ZnOH+ binds to the uncharged sulfonamide via N(heterocycle) and O(sulfonyl) donor atoms. Alternative prototropic isomers Zn(OH2)(SDZ−H)+ and Zn(OH2)(STZ−H)+ lie 63 and 26 kJ mol−1 higher in free energy, respectively, relative to the ground state Zn(OH)(SDZ)+ and Zn(OH)(STZ)+ species and do not contribute to any significant extent in the sampled population.

This paper reports a systematic X-ray crystallographic investigation of cadmium complex of sulfathiazole dihydrate with secondary ligand pyridine. The cadmium complex of sulfathiazole [Cd(C9H9N3O2S2)(C5H5N)2·2H2O] crystallizes in monoclinic space group C2/c with lattice parameter a = 14.1145(3) Å, b = 9.7656 (3) Å, c = 32.3573 (8) Å, β = 91.959(1)° and Z = 8. The experimental studies have been complemented by DFT studies in terms of optimization. HOMO–LUMO energy, natural bond orbital analysis and charge on the atoms have been analyzed using B3LYP method to understand molecular properties. Hirshfeld surface analysis has been introduced to visualize the conformity of the crystal structure. This method permitted for the identification of individual types of intermolecular contacts and their influence on the crystal packing. [ABSTRACT FROM AUTHOR]

The purpose of the study was to evaluate the effects of using of ozonation to remove antibiotics used, among others, in veterinary medicine, from the aqueous environment. The effect of this process on the degradation, mineralisation and ecotoxicity of aqueous solutions of ampicillin, doxycycline, tylosin, and sulfathiazole was investigated. Microbiological MARA® bioassay and two in silico methods were used for the ecotoxicity assessment. Ozonation was an effective method for the degradation of the antibiotics studied and the reduction in ecotoxicity of the solutions. However, after ozonation, the solutions contained large amounts of organic products, including compounds much less susceptible to ozonation than the initial antibiotics. Structures of 14, 12, 40 and 10 degradation products for ampicillin, doxycycline, tylosin, and sulfathiazole, respectively, were proposed. It was confirmed that ozone plays a greater role than hydroxyl radicals in the degradation of these antibiotics, with the exception of TYL. The use of ozonation to obtain a high degree of mineralisation is unfavourable and it is suggested to combine ozonation with biodegradation. The pre-ozonation will cause decomposition of antibiotic pharmacophores, which significantly reduces the risk of spread of antimicrobial resistance in the active biocenosis of wastewater treatment plants., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier B.V. All rights reserved.)

The study of the interaction of drugs with DNA is very exciting and significant not only for understanding the mechanism of the interaction but also for the design of new drugs. Here, we report the results of Fourier transform infrared (FT-IR) and ultraviolet (UV)-visible spectroscopy studies to determine the external binding modes of sulfathiazole (STZ), and the binding constant and stability of the STZ-DNA complex in aqueous solution. The results of absorption spectra showed that the interaction of STZ-DNA is weak because there is only a hyperchromic effect. A hyperchromic effect reflects the corresponding changes of DNA in its conformation and structure after the drug-DNA interaction has occurred. Spectroscopic evidence revealed that STZ binds DNA with an overall binding constant of K (STZ-DNA)=0.42×103m−1. FT-IR spectroscopy showed that the complexation of STZ with DNA occurred via A-T and PO2 groups. Nano cadmium hydroxide has been synthesized using hexamine as the template at room temperature. Then, this nano cadmium hydroxide recrystallizes into nano cadmium oxide (CdO) at 400°C for 2 h. The product was characterized by using X-ray diffraction and scanning electron microscopy. The presence of drugs in aquatic media has emerged in the last decade as a new environmental risk. The other aim of this study was to investigate the degradation of the STZ antibiotic by nanosized CdO under ultraviolet irradiation. Various experimental parameters, such as initial CdO concentration, initial pH, and reaction times, were investigated. According to the results, this method has a good performance in the removal of STZ.

In this study, CdO nanoparticles (CdO NPs) were prepared with a template. The nanoparticles were characterized by XRD, scanning electron microscopy (SEM), diffuse reflectance spectroscopy (DRS), and energy dispersive X-ray spectroscopy (EDX). The XRD pattern revealed that the final product has a cubic phase and its particle size diameter is 36.4 nm. The morphology of CdO is nanospherical. The catalytic activity of a CdO nanoparticle in the acetylation of benzyl alcohols was studied. The formation of products proceeds on the catalysts with predominantly strong base sites. The degradation of sulfathiazole antibiotic in the presence of CdO NPs was also investigated under ultraviolet irradiation. Various experimental parameters, such as initial sulfathiazole concentrations, initial CdO concentration and initial pH, were investigated. According to the results, this method has the potential to perform well in the removal of sulfathiazole.

Experimental studies have shown that the decoration of a metal oxide nanostructure by the noble metals increases its sensitivity toward different chemicals to a great extent. Here, the sensing properties of a pristine ZnO nanotube (ZnON) and its Pt-decorated form (Pt@ZnON) were investigated toward the sulfathiazole (STZ) drug by implementing density functional theory calculations. The pristine ZnON adsorbs the STZ drug weakly with the adsorption energy (Ead) of –5.2 kcal/mol, and cannot detect it because of a minor sensing response of 3.38 at room temperature. A Pt atom was decorated on the ZnON surface with the Ead of –45.2 kcal/mol. Pt-decoration increased the Ead of STZ and the sensing response of the ZnON to −35.5 kcal/mol and 485.27, respectively. We concluded that the Pt@ZnON could be a promising candidate for application in the STZ drug sensors. A short recovery time of 12 s was also predicted for Pt@ZnO-based sensor. [ABSTRACT FROM AUTHOR]

A number of important fused heterocyclic systems have been prepared by the reaction of 4-((3,5-diamino-1H-pyrazol- 4-yl)-diazenyl)-N-(thiazol-2-yl)-benzenesulfonamide with some bifunctional nucleophiles such as ethyl acetoacetate, acetylacetone or arylidenemalonononitrile derivatives to obtain pyrazolo[1,5-a]pyrimidine derivatives. The structures of the newly synthesized compounds were determined based on their IR, 1H and 13C NMR and mass spectroscopic data. Most of the compounds produced showed good antibacterial and antifungal activity. [ABSTRACT FROM AUTHOR]

One of oligosaccharides are Cyclodextrins with an outer surface hydrophilic and its central cavity is lipophilic, the size of β- Cyclodextrins complexes with many drugs as well as the small organic molecules in a host-guest system where the guest interact with the Cyclodextrins lipophilic cavity via a physical interaction. Material and Methods: Inclusion complex between Schiff bases derived from sulfathiazole Schiff bases as a guest and β-cyclodextrin as a host were prepared by freeze drying method .The mode of interaction between guest and host were characterized by IR, HNMR, 13CNMR and XRD. Particle size distribution of Schiff base and their inclusion complexes were compared to investigate the effect of complexation on particle size and surface area . Biological activity of Schiff bases and their complexes were estimated Escherichia coli, Pseudomonas aerogenosa and Staphylococcus aureus exerted antimicrobial susceptibility according to sulfa derivatives Concentrations and diffusibility potential. Results: E. coli had dramatically sensitivity than other bacteria like P. aerogenosa and S. aureus toward all prepared compounds that related hydrophobic and generation time of each bacterial species. Conclusion: sulfa and sulfa derivatives exerted high potential antibacterial activities against E. coli, P. aerogenosa and S. aureus. [ABSTRACT FROM AUTHOR]

Iron mining residue was evaluated as a potential catalyst for heterogeneous Fenton/photo-Fenton degradation of sulfonamide antibiotics. The residue contained 25% Fe2O3 and 8% CeO2, as determined by X-ray fluorescence spectroscopy, as well as other minor phases such as P2O5, SiO2, and TiO2. X-ray photoelectron spectroscopy analysis revealed a lower content of iron oxides on the surface, which restricted interaction of the residue with H2O2. Despite this limitation and the relatively low specific surface area (26 m2 g-1) of the crude iron mining residue (without any pretreatment), the material presented high catalytic activity for Fenton degradation of sulfonamide antibiotics. The degradation was strongly dependent on the initial pH, showing the highest efficiency at pH 2.5. For this condition, a concentration of sulfathiazole below the detection limit was obtained within 30 min, under black light irradiation and using 0.3 g L-1 residue, with low H2O2 consumption (0.2 mmol L-1). The residue also provided highly efficient sulfathiazole degradation in the dark, with the concentration of the antibiotic decreasing to an undetectable level after 45 min. Simultaneous degradation of two sulfonamide antibiotics revealed higher recalcitrance of sulfamethazine, compared to sulfathiazole, but the levels of both antibiotics decreased to below the detection limit after 45 min. The residue was very stable, since no significant concentration of soluble iron was detected after the degradation process. Furthermore, high catalytic activity was maintained during up to five cycles, showing the potential of this material for use as a low-cost and environmentally compliant catalyst in Fenton processes. [ABSTRACT FROM AUTHOR]

Sulfathiazole (SFTZ) is a sulfonamide used for the treatment of bacterial infection. The cobalt complex of sulfathiazole was synthesized by reaction of sulfathiazole with CoCl2.6H2O. The metal complex was characterized based on AAS, UV, IR, ¹H NMR spectroscopy and X-ray powder diffraction. The electronic spectrum of the ligand showed intra ligand charge transfer (ILCT) which were assigned to the chromophores present in the ligand, while that of the complex suggested intra ligand charge transfer (ILCT) and ligand to metal charge transfer (LMCT). The IR spectra of the complexes showed the involvement of amine, sulfonyl and cyano group in coordination to the metal ion. This showed that sulfathiazole acted as a tridentate ligand. ¹H NMR spectrum of [Co(SFTZ)] complex further showed the involvement of the amine and sulfonyl group in coordination to the metal ions. The structure of [Co(SFTZ)] complex was assigned as trigonal. The crystal structure of [Co(SFTZ)] complex belongs to cubic system, space group P1, with cell parameters of a = 4.007 Å, b = 5.0078 Å, c = 5.9844 Å, V = 30.61 ų, α = 90°, β  90°, γ = 90°. Molecular docking suggested that the ligand/complex binded effectively with the E. Coli and S. aureus because their global binding energies were negative. The binding interactions of ligand/complex with E. Coli and S. Aureus were predicted. Molecular docking predicted the feasibility of the biochemical reactions before experimental investigation. [ABSTRACT FROM AUTHOR]

Sulfonamides (SNs) belong to a category of broad-spectrum antibiotics, which have attracted growing concerns owing to the adverse effects on ecosystem. In this paper, coral-like graphitic carbon nitrides with nitrogen vacancies were prepared by polymerization of melamine in the presence of NH 4 Cl, and the effect of NH 4 Cl amount on the structure and photocatalytic performance of g-C 3 N 4 in degradation of sulfonamide antibiotics such as sulfamethoxazole (SMX), sulfadiazine (SDZ) and sulfathiazole (STZ) was systematically studied. It was found that the addition of NH 4 Cl results in the formation of coral-like g-C 3 N 4 with nitrogen vacancies, and optimal photocatalyst (PCN-1 sample) prepared with a melamine to NH 4 Cl mass ratio of 1:1 showed the highest photocatalytic activity towards SNs degradation due to the quick electron-hole migration, efficient separation capacity and excellent photoelectric properties. The electron paramagnetic resonance (EPR) technique was used to determine the reactive oxygen species (ROSs) that are responsible for the degradation of SNs, and the detailed degradation pathway of STZ was proposed according to the identification of the intermediates by liguid chromatography-high resolution mass spectrometry (LC-HRMS). [Display omitted] • 3D coral-like g-C 3 N 4 with enhanced photocatalytic activity towards sulfonamides degradation was prepared. • Nv induced the production of reactive oxygen species for sulfathiazole degradation. • The intermediates during photocatalytic degradation of sulfathiazole were identified. • The photocatatalytic degradation pathway of sulfathiazole was proposed. [ABSTRACT FROM AUTHOR]

Taking into the account the advantages of surfactant micelles as drug carrier, the interaction of sulfathiazole (STZ) with three types of surfactants, namely, cationic cetyltrimethylammonium bromide (CTAB), anionic sodium dodecyl sulfate (SDS), and non-ionic t-octylphenoxypolyethoxyethanol (TX-100) has been studied by using UV–visible spectroscope and conductivity measurements. The critical micelle concentration (CMC), degree of ionization (α), counter ion binding constant (β), free energy change of micellization (ΔG0 m), relative solubility (S t /S 0), STZ-surfactant interaction constant (θ), approximate number (n) of STZ molecules incorporated per micelle, heat capacity (ΔC0 m), and transfer of thermodynamic parameters were calculated and discussed for both the systems. The CMC values of CTAB and SDS were found to decrease in presence of increasing STZ concentrations. The values of counter ions dissociation were also found to be dependent of temperature. The ΔG0 m values are obtained to be negative of both systems. A comparison of the binding constants (K C) calculated from the Kawamura equation indicated that the solubilization tendency of STZ with CTAB is much higher than that with SDS micelles. However, this interaction was weak since no significant change in the micellization phenomenon was observed with TX-100 under our experimental conditions. [ABSTRACT FROM AUTHOR]

Sulfathiazole (SFTZ) is an antibacterial drug that contains the organosulfur compounds. It is used as a short-acting sulfa drug. The metal complexes of sulfa-drug have gained considerable importance due to their pronounced biological activity. The sulfa-drugs have received great attention because of their therapeutic applications against bacterial infections. Mn(II) complex of sulfathiazole was synthesized by the reaction of sulfathiazole with MnCl2.4H2O. The Mn (II) complex was characterized based on UV, IR, 1H NMR Spectroscopy and x-ray powder diffraction. The electronic spectrum of the ligand showed intra charge transfer which was assigned to the chromophores present in the ligand, while that of the complex suggested intra ligand charge transfer (ILCT) and ligand to metal charge transfer (LMCT). In the IR spectrum of sulfathiazole, the N-H stretch of SO2NH appeared at 3255.23 cm-1. In the IR spectrum of the metal complex, this band was absent. This suggested the deprotonation of the N-H of SO2NH during the complexation reaction. This showed that sulfathiazole acted as a monodentate ligand. 1H NMR spectrum of [Mn(SFTZ)] complex showed the involvement of the nitrogen atom of SO2NH. The crystal structure of [Mn(SFTZ)] complex belongs to monoclinic system, space group P1, with cell parameters of a= 4.519Å, b = 8.704Å, c = 12.608Å, V = 493.5Å3, β = 95.69º. Molecular docking suggested that the ligand/complex bonded effectively with the E.coli and S.aureus because their global binding energies were negative. The binding interactions of ligand/complex with E. coli and S. aureus were predicted. Molecular docking predicted the feasibility of the biochemical reactions before experimental investigation. It was concluded that sulfathiazole behaved as a monodentate ligand towards Mn (II) ion. The binding energy and interaction of [Mn(SFTZ)] with E.coli and S. aureus have also shown that inhibition of the bacterial species is feasible. The mechanism of action of [Mn(SFTZ)] with E. coli and S. aureus is now well understood.

Sulfonamide antibiotics, a family of broad-spectrum antibiotic drugs, are increasingly used in aquaculture and are frequently detected in aquatic environments. This poses a potential threat to organisms and may cause the evolution of antimicrobial resistance. Therefore, it is important to develop an environmentally friendly and efficient biocatalyst to degrade sulfonamides (SAs) such as sulfadiazine (SD) and sulfathiazole (ST). Here, we realized the direct and efficient degradation of SD and ST using a hydrogen peroxide-dependent artificial catalytic system based on myoglobin (Mb). The arrangements of amino acids at positions 29, 43, 64, and 68 were found to influence catalytic activity. An L29H/H64D/V68I myoglobin mutant showed the best catalytic efficiency (i.e., k cat /K m = 720.42 M -1 s -1 ) against SD. Next, mutant H64D/V68I showed the best degradation rate against SD (i.e., 91.45 ± 0.16%). Moreover, L29H/H64D/V68I Mb was found to efficiently catalyze ST oxidation (k cat /K m = 670.08 M -1 s -1 ), while H64D/V68I had the best degradation rate against ST (i.e., 99.45 ± 0.23%). Our results demonstrate that SAs can be efficiently degraded by artificial peroxygenases constructed using a myoglobin scaffold. This therefore provides a simple and economical method for the biodegradation of SD and ST., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2023 Elsevier B.V. All rights reserved.)

Certain sulfathiazole-triazolo chalcone hybrids were identified as anticancer agents with dual vascular endothelial growth factor receptor-2 (VEGFR-2)/epidermal growth factor receptor (EGFR) kinase inhibitory effect. All of the compounds were evaluated for their cytotoxic activity against the MCF-7 and HepG-2 tumor cell lines. Compounds 11g, 11h, and 11j exhibited the most potent antiproliferative activity against both cancer cell lines, with good safety toward WI-38 normal cells. Thus, they were further assessed for VEGFR-2 inhibitory activity. They have suppressed VEGFR-2 enzyme at IC 50 of 0.316, 0.076, and 0.189 µM, respectively in comparison to sorafenib (IC 50  = 0.035 µM). EGFR enzyme inhibition was further screened for the most potent inhibitors, 11h and 11j, where they displayed enhanced potency with IC 50 of 0.085 and 0.108 µM, respectively, compared to erlotinib (IC 50  = 0.037 µM). Compounds 11h and 11j were additionally investigated for inhibition of comparable kinases, PDGFR-β and B-Raf, where results assessed adequate selectivity of both compounds toward the VEGFR-2 and EGFR kinases. Furthermore, the wound healing assay of compound 11h manifested a percent wound closure of 65.18% in MCF-7 cells compared to doxorubicin (58.51%) and untreated cells (97.77%), proving its antiangiogenic activity. The cell cycle assay of MCF-7 cells treated with 11h demonstrated cell cycle arrest at the S phase. Moreover, compound 11h induced apoptosis with a 44-fold increase compared to that induced in the control MCF-7 cells. Molecular docking results of compounds 11h and 11j established their efficacies, and in silico studies showed convenient safety profiles with drug-likeness properties., (© 2023 Deutsche Pharmazeutische Gesellschaft.)

Pathogenic Escherichia coli (E. coli) can cause intestinal diseases in humans and livestock, damage the intestinal barrier, increase systemic inflammation, and seriously threaten human health and the development of animal husbandry. In this study, we designed and synthesized a novel conjugate florfenicol sulfathiazole (FST) based on drug combination principles, and investigated its antibacterial activity in vitro and its protective effect on inflammatory response and intestinal barrier function in E. coli O78-infected mice in vivo. The results showed that FST had superior antibacterial properties and minimal cytotoxicity compared with its prodrugs as florfenicol and sulfathiazole. FST protected mice from lethal E. coli infection, reduced clinical signs of inflammation, reduced weight loss, alleviated intestinal structural damage. FST decreased the expression of inflammatory cytokines IL-1β, IL-6, TNF-α, and increased the expression of claudin-1, Occludin, and ZO-1 in the jejunum, improved the intestinal barrier function, and promoted the absorption of nutrients. FST also inhibited the expression of TLR4, MyD88, p-p65, and p-p38 in the jejunum. The study may lay the foundation for the development of FST as new drugs for intestinal inflammation and injury in enteric pathogen infection., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2023 Elsevier B.V. All rights reserved.)

New Co(II), Ni(II), and Cu(II) complexes were synthesized with the Schiff base ligand obtained by the condensation of sulfathiazole with salicylaldehyde. Their characterization was performed by elemental analysis, molar conductance, spectroscopic techniques (IR, diffuse reflectance and UV–Vis–NIR), magnetic moments, thermal analysis, and calorimetry (thermogravimetry/derivative thermogravimetry/differential scanning calorimetry), while their morphological and crystal systems were explained on the basis of powder X-ray diffraction results. The IR data indicated that the Schiff base ligand is tridentate coordinated to the metallic ion with two N atoms from azomethine group and thiazole ring and one O atom from phenolic group. The composition of the complexes was found to be of the [ML2]∙nH2O (M = Co, n = 1.5 (1); M = Ni, n = 1 (2); M = Cu, n = 4.5 (3)) type, having an octahedral geometry for the Co(II) and Ni(II) complexes and a tetragonally distorted octahedral geometry for the Cu(II) complex. The presence of lattice water molecules was confirmed by thermal analysis. XRD analysis evidenced the polycrystalline nature of the powders, with a monoclinic structure. The unit cell volume of the complexes was found to increase in the order of (2) < (1) < (3). SEM evidenced hard agglomerates with micrometric-range sizes for all the investigated samples (ligand and complexes). EDS analysis showed that the N:S and N:M atomic ratios were close to the theoretical ones (1.5 and 6.0, respectively). The geometric and electronic structures of the Schiff base ligand 4-((2-hydroxybenzylidene) amino)-N-(thiazol-2-yl) benzenesulfonamide (HL) was computationally investigated by the density functional theory (DFT) method. The predictive molecular properties of the chemical reactivity of the HL and Cu(II) complex were determined by a DFT calculation. The Schiff base and its metal complexes were tested against some bacterial strains (Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, and Bacillus subtilis). The results indicated that the antibacterial activity of all metal complexes is better than that of the Schiff base.

It is well demonstrated that bacteria have become resistant to common medications recently and it is considered to be one of the major threats to human health. The research on innovative antimicrobial agents explores a vast and interesting subject area. Therefore, a series of new carbamate derivatives of sulfathiazole 6a-e, a common oral antimicrobial drug and methyl tryptophanate 8a-e, N-methyl -amino acid ester containing indole moiety have been synthesized. Structures of the title products have been elucidated by spectral analyses like IR, NMR (¹H and 13C), mass and elemental composition. The compounds have been evaluated for their in vitro antimicrobial activity including minimum inhibitory concentrations (MICs). Whereas, three carbamate derivatives of sulfathiazole 6a, 6b and 6e and one derivative of methyl tryptophanate 8a show promising antibacterial activity in the range of MIC 2.88-8.14 μg/mL and it is a comparable activity of streptomycin (MIC = 3.14-7.43 μg/mL). Most of the compounds provide potent activity against E. coli which is equivalent to streptomycin (MIC = 3.14 μg/mL). The title compounds have been docked into the active site of E. coli DNA gyrase A enzyme to ensure the binding mode and the results demonstrate that a few compounds show better binding energies with enzyme than that of standard, streptomycin and associated with antibacterial activity. [ABSTRACT FROM AUTHOR]

In this article, a light-emitting diode (LED)-based photoreactor was designed and evaluated for degradation of the antibiotic sulfathiazole (STZ), using heterogeneous photo-Fenton process with an iron ore residue as catalyst. The effects of the type of magnetic stirrer bar, use of baffles, rotation speed, and type and intensity of irradiation source were evaluated. The results showed that the degradation of STZ was strongly influenced by rotation speed (1100 rpm) and that the use of an octagonal stirrer bar favoured high dispersion and greater contact of the catalyst with the reaction medium. Although the presence of baffles had little influence on STZ degradation, their use enabled good dispersion of the catalyst (due to axial flow) and eliminated the vortex formed at high stirring speeds. It was found that the iron mining residue could be activated by UV LEDs, visible light LEDs, and black light irradiation, with similar degradation efficiencies achieved. Using the LEDs, STZ concentrations below the detection limit were obtained after 40 min, with power consumption 38-fold (UV LEDs) and 22-fold (visible light LEDs) lower than required for black light irradiation. The results demonstrated the advantages of the use of LED devices as irradiation systems in heterogeneous photo-Fenton processes. [ABSTRACT FROM AUTHOR]