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1.
Molecules ; 29(1)2023 Dec 27.
Artículo en Inglés | MEDLINE | ID: mdl-38202756

RESUMEN

To improve the adsorption efficiency of pollutants by biochar, preparing graphene-like biochar (GBC) or nitrogen-doped biochar are two commonly used methods. However, the difference in the nitrogen doping (N-doping) effects upon the adsorption of pollutants by pristine biochar (PBC) and GBC, as well as the underlying mechanisms, are still unclear. Take the tetracycline (TC) as an example, the present study analyzed the characteristics of the adsorption of TCs on biochars (PBC, GBC, N-PBC, N-GBC), and significant differences in the effects of N-doping on the adsorption of TCs by PBC and GBC were consistently observed at different solution properties. Specifically, N-doping had varied effects on the adsorption performance of PBC, whereas it uniformly improved the adsorption performance of GBC. To interpret the phenomenon, the N-doping upon the adsorption was revealed by the QSAR model, which indicated that the pore filling (VM) and the interactions between TCs with biochars (Ead-v) were found to be the most important two factors. Furthermore, the density functional theory (DFT) results demonstrated that N-doping slightly affects biochar's chemical reactivity. The van der Waals (vdWs) and electrostatic interactions are the main forces for TCs-biochars interactions. Moreover, N-doping mostly strengthened the electrostatic interactions of TCs-biochars, but the vdWs interactions of most samples remained largely unaffected. Overall, the revealed mechanism of N-doping on TCs adsorption by biochars will enhance our knowledge of antibiotic pollution remediation.


Asunto(s)
Carbón Orgánico , Contaminantes Ambientales , Grafito , Compuestos Heterocíclicos , Adsorción , Tetraciclina , Antibacterianos , Nitrógeno , Factores de Transcripción
2.
Artículo en Inglés | MEDLINE | ID: mdl-36011563

RESUMEN

Biochar (BC)-supported sulfide-modified nanoscale zerovalent iron (S-nZVI/BC) was prepared using the liquid-phase reduction method for the application of the removal of sulfamethazine (SMZ) from water. The reaction conditions were optimized by the Box−Behnken response surface method (RSM). A model was constructed based on the influence factors of the removal rate, i.e., the carbon-to-iron ratio (C/Fe), iron-sulfur ratio (Fe/S), pH, and hydrogen peroxide (H2O2) concentration, and the influence of each factor on the removal efficiency was investigated. The optimal removal process parameters were determined based on theoretical and experimental results. The results showed that the removal efficiency was significantly affected by the C/Fe ratio and pH (p < 0.0001) but relatively weakly affected by the Fe/S ratio (p = 0.0973) and H2O2 concentration (p = 0.022). The optimal removal process parameters were as follows: 0.1 mol/L H2O2, a pH of 3.18, a C/Fe ratio of 0.411, and a Fe/S ratio of 59.75. The removal rate of SMZ by S-nZVI/BC was 100% under these conditions. Therefore, it is feasible to use the Box−Behnken RSM to optimize the removal of emerging pollutants in water bodies by S-nZVI/BC.


Asunto(s)
Hierro , Contaminantes Químicos del Agua , Adsorción , Carbón Orgánico , Peróxido de Hidrógeno , Sulfametazina , Agua , Contaminantes Químicos del Agua/análisis
3.
Org Lett ; 6(18): 3043-6, 2004 Sep 02.
Artículo en Inglés | MEDLINE | ID: mdl-15330583

RESUMEN

[reaction: see text] Quorum sensing is a process by which bacteria sense cell density. This cell-cell communication process is mediated by autoinducers. A cross-species messenger, autoinducer-2 (AI-2) is produced from S-ribosyl-L-homocysteine by the LuxS enzyme. A proposed mechanism for LuxS is an aldose-ketose isomerization of S-ribosylhomocysteine followed by a beta-elimination. We report here the synthesis of two substrate analogues, S-anhydroribosyl-L-homocysteine and S-homoribosyl-L-cysteine, which prevent the initial and final step of the mechanism, respectively.


Asunto(s)
Bacterias/enzimología , Proteínas Bacterianas/antagonistas & inhibidores , Homocisteína/análogos & derivados , Homocisteína/síntesis química , Bacterias/efectos de los fármacos , Bacterias/metabolismo , Liasas de Carbono-Azufre , Homocisteína/farmacología , Estereoisomerismo , Especificidad por Sustrato
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