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FexP/biochar composites induced oxygen-driven Fenton-like reaction for sulfamethoxazole removal: Performance and reaction mechanism

Fe-based phosphide has shown tremendous potential for heterogeneous catalysis due to its superior activity. Herein, a series of FexP/biochar composites were successfully prepared through a simple pyrolysis process. Iron species (FeOOH) was pre-loaded on the surface of phosphorus-containing biomass (yeast), which was subsequently converted to FexP/biochar with the assistance of in-situ produced reducing gases (H2, CO, PH3, etc.). When applied for typical antibiotic pollutant (sulfamethoxazole, SMX) removal, the optimal material (FexP/BC-5) performed well with a 99% removal efficiency in 30 min via the synergistic effects of adsorption and degradation by activation of dissolved oxygen (DO). Reactive oxygen species, including H2O2, ¡¤OH, [rad]O2? and 1O2, were generated in FexP/BC-5/DO system by charge transfer and Fenton-like reaction. FexP/BC-5 was applicable in a broad pH range from 3.0 to 9.0 and exhibited good reusability in five recycle runs after regeneration. Moreover, the primary reactions in SMX degradation process were discussed based on identified intermediates by liquid chromatography?mass spectrometry (LC?MS). This work not only develops a simple approach to construct iron phosphides/biochar using green and sustainable phosphorus source but also bring new insights for environmental pollutants remediation by oxygen activation.

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Synthesis and structure-activity relationship of (lactamylvinyl)cephalosporins exhibiting activity against staphylococci, pneumococci, and enterococci

The synthesis and structure-activity relationships of a new class of vinylcephalosporins substituted with a lactamyl residue (1) are described. These compounds show excellent activity against enterococci and retain the broad spectrum activity of third-generation cephalosporins such as ceftriaxone.

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Degradation of sulfamethoxazole by a heterogeneous Fenton-like system with microscale zero-valent iron: Kinetics, effect factors, and pathways

Five commercial microscale zero-valent iron (mZVI) samples showed different reactivity in sulfamethoxazole (SMX) removal in the presence of H2O2, which was independent of respective iron surface area but was consistent with the dissolved iron releasing rate. Of five mZVI samples, mZVIYF2 possessed the highest reactivity in H2O2 and the mZVIYF2/H2O2 system could remove 97.9% SMX at room temperature within 10 min. The degradation curve of SMX by mZVI/H2O2 at pHini 3.0 could be divided into three phases: a lag phase, a rapid degradation phase, and a final stationary phase. Effects of pHini, mZVI loading, SMX concentration, and H2O2 concentration on SMX degradation by mZVI/H2O2 were analyzed. Removal rates of SMX by mZVI/H2O2 dropped sharply upon increasing pHini. Increasing dosages of Fe0 ranged from 25 to 75 mg/L and H2O2 at low concentrations (below 0.5 mM) both enhanced SMX degradation, but a higher concentration of Fe0 and H2O2 also quickly decreased oxidative efficiency of SMX. Increasing dosages of SMX within the range of 5?100 muM progressively decreased the oxidation rates of SMX by mZVI/H2O2. Furthermore, three degradation pathways of SMX by mZVI/H2O2 process were proposed based on the combination of theoretical calculations and intermediates identification.

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5-AMINO-1,2,4-THIADIAZOLE DERIVATIVES

The present invention relates in general to the field of organic chemistry and, in particular, to novel biologically active compounds of 5-amino[1,2,4]thiadiazole derivatives of the general formula: wherein X is ONO2 or NHR3; R1, R2, and R3 may be the same or different and independently represent hydrogen, alkyl, aryl, aralkyl, heteroaryl, heteroaralkyl, cycloalkyl, as well as R1 together with R2 may represent heterocyclyl (for example, optionally substituted pyrrolidine, piperidine, azepane, piperazine, morpholine, etc.) provided that, when R1 is H, then R2 is other than hydrogen or methyl. 5-Amino-[1,2,4]thiadiazole derivatives are of special interest as drug candidates for prevention and treatment of neurodegenerative diseases, for example, Alzheimer’s disease.

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Functionally substituted 3-heterylpyrazoles: X. Reaction of 3-aryl-1-phenyl-4-pyrazolecarbonyl isothiocyanates with 3-amino-5-methylisoxazole

3-Aryl-1-phenyl-4-pyrazolecarbonyl isothiocyanates react with 3-amino-5-methylisoxazole to afford 3-aryl-N-(3-acetonyl-1,2,4-thiadizol-5-yl)-1-phenylpyrazole-4-carboxamides.

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6?-Cycloadditions of Aryl and New Heteroaryl N-Sulphinylamines With 2,3-Dimethylbuta-1,3-diene: Synthesis, Kinetics, Substituent Effects, Theoretical Calculations, and Reaction Mechanism

A range of new N-sulphinylamine derivatives of heteroaryl rings, including tetrazoles, oxadiazoles, thiadiazoles, thiazoles, and oxazoles is reported.The influence of the -N=S+-O- group on the n.m.r. spectra of the ring to which it is bonded is discussed.The kinetics of the cycloaddition reactions of this group with 2,3-dimethylbuta-1,3-diene have been measured for a series of para-substituted phenyl-N-sulphinylamines and the rates correlated with MNDO calculated HOMO-LUMO separations and Hammett substituent constants.

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Towards the rational design of novel drugs based on solubility, partitioning/distribution, biomimetic permeability and biological activity exemplified by 1,2,4-thiadiazole derivatives

Novel 1,2,4-thiadiazole derivatives as potent neuroprotectors were synthesized and identified. Their ability to inhibit the glutamate stimulated Ca2+ uptake was investigated. The solubility of thiadiazoles was measured in a buffer solution (pH 7.4) at 298 K. The distribution coefficients in 1-octanol/buffer (pH 7.4) and 1-hexane/buffer (pH 7.4) immiscible phases as model systems imitating the gastrointestinal tract epithelium and the blood-brain barrier were determined. Permeation experiments the new Permeapad barrier using Franz diffusion cells were conducted and the apparent permeability coefficients were obtained. The influence of the compound structure on the physicochemical properties determining the bioavailability of drug-like substances was revealed. Solubility-permeability interplay has been assessed to evaluate potential bioavailability of the compounds studied.

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Reference of 1072-67-9, Catalysts function by providing an alternate reaction mechanism that has a lower activation energy than would be found in the absence of the catalyst. In some cases, the catalyzed mechanism may include additional steps.In a article, 1072-67-9, molcular formula is C4H6N2O, introducing its new discovery.

Photodegradation of sulfonamides by g-C3N4 under visible light irradiation: Effectiveness, mechanism and pathways

For the first time, the photocatalytic degradation of sulfamethoxazole (SMX), sulfisoxazole (SSX), sulfadiazine (SDZ), sulfamerazine (SMZ) by g-C3N4 under visible light irradiation was investigated. Results revealed that compared to photolysis, the photocatalytic degradation efficiencies of the four sulfonamides were significantly enhanced with the addition of g-C3N4, and more than 90% of photodegradation removal was obtained. The effects of typical water quality parameters, including solution pH, bicarbonate ion and humic acid, on the photodegradation process were discussed. It was found that although the photodegradation of the four sulfonamides exhibited different trends under the variation of the water quality parameters, an excellent photocatalytic removal could always be achieved, illustrating the robustness and effectiveness of the g-C3N4 photodegradation process. The ESR measurements showed that both OH[rad] and [rad]O2? were produced in the photocatalytic process of g-C3N4 under visible light irradiation. And trapping experiments confirmed that [rad]O2? and holes played a significant role in the photodegradation of SMX, SDZ and SMZ; but holes and OH[rad] were the main oxidative species for SSX degradation. Finally, according to the oxidation products detected by ultra-high performance liquid chromatography-tandem mass spectrometric (UPLC/MS/MS), the degradation pathways of the four sulfonamides were proposed and compared. It was found that there were some common pathways shared by the different sulfonamides, such as cleavage of S-N bond and hydroxylation of the benzene ring (the main degradation pathways for SSX). More importantly, some specific photodegradation pathways were also identified: (1) the nitration of amino group on the benzene ring occurred for SMX, SDZ and SMZ (the main degradation pathway for SMX, SDZ and SMZ), but not for SSX; (2) the bond cleavage between benzene ring and S occurred only in degradation of SSX; and (3) the carboxylation of the methyl group occurred only in degradation of SMZ.

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Design, synthesis and protection against pentylenetetrazole-induced seizure of N-aryl derivatives of the phthalimide pharmacophore

A series of compounds including N-aryl substituents of phthalimide and 4-nitrophthalimide were synthesized and evaluated for their anticonvulsant properties. The in vivo screening data suggest that all the analogs have the ability to protect against pentylenetetrazole-induced seizures. These compounds exerted their maximal effects 30 min after administration. The most potent compound in both, tonic and clonic seizure was 1-naphthyl derivative (comp. 6), which was more active than the reference drug known as Phenytoin. Using an open pore model of the Na channel, these anticonvulsants were docked in the active site and examined in relation to the residues identified by mutagenesis as important for their binding energies. Docking studies revealed that all compounds (1-13) interacted mainly with residues II-S6 of NaV1.2 by making hydrogen bonds and additional hydrophobic interactions with domain I and II in the channel’s inner pore.

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Synthesis and antileukemic activity of new 3-(5-methylisoxazol-3-yl) and 3-(pyrimidin-2-yl)-2-styrylquinazolin-4(3H)-ones

3-(3-Methylisoxazol-5-yl) and 3-(pyrimidin-2-yl)-2-styrylquinazolin-4(3H)- ones 8a-l and 9a,c-e,h-l were synthesized by refluxing in acetic acid the corresponding 2-methylquinazolinones 6 and 8 with the opportune benzoic aldehyde for 12 h. The synthesized styrylquinazolinones 8a-l and 9a,c-e,h-l were tested in vitro for their antileukemic activity against L-1210 (murine leukemia), K-562 (human chronic myelogenous leukemia) and HL-60 (human leukemia) cell lines showing in some cases good activity.

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