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1.
Nanoscale ; 13(3): 1738-1744, 2021 Jan 28.
Artículo en Inglés | MEDLINE | ID: mdl-33428700

RESUMEN

Plasmonic reversible gas sensors are of paramount importance for the monitoring of indoor environments. Herein, we design and engineer a plasmonic foam, with a high surface area, confined inside a capillary glass tube for the live monitoring of carbon monoxide (CO) in closed environments using surface-enhanced resonance Raman scattering. The illumination of the sensor with light during the flow of air allows the live monitoring of the concentration of atmospheric CO through surface-enhanced resonance Raman scattering. The sensor was prepared with a detection range from 10 to 40 ppm, due to health needs. The results show a sensitive, selective, reversible and robust sensor applicable to the monitoring of CO levels but also to other gas species upon appropriate functionalization.

2.
J Mol Model ; 14(7): 641-7, 2008 Jul.
Artículo en Inglés | MEDLINE | ID: mdl-18488255

RESUMEN

Based on experimental evidence and DFT studies, a probable cyclization route to 1,3,5-thiadiazinanes-2-thiones in aqueous medium is proposed. Experimental facts suggest the formation of a {[hydroxymethyl (substituted) carbamothioyl] sulfanyl}methanol intermediate via reaction of dithiocarbamate (DTC) and formaldehyde. Nucleophilic addition of glycine to this intermediate generates an adduct that undergoes intramolecular heterocyclization via an S(N)2 reaction. Computational calculations predict an active role of water in the reaction mechanism that promotes intramolecular cyclization.


Asunto(s)
Simulación por Computador , Tionas/síntesis química , Agua/química , Ciclización , Glicina/química , Modelos Moleculares , Termodinámica , Tionas/química
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