Hybrid ultramicroporous materials, HUMs, are comprised of metal cations linked by combinations of inorganic and organic ligands. Their modular nature makes them amenable to crystal engineering studies, which have thus far afforded four HUM platforms (as classified by the inorganic linkers). HUMs are of practical interest because of their benchmark gas separation performance for several industrial gas mixtures. We report herein design and gram‐scale synthesis of the prototypal sulfate‐linked HUM, the fsc topology coordination network ([Zn(tepb)(SO4)]n), SOFOUR‐1‐Zn, tepb=(tetra(4‐pyridyl)benzene). Alignment of the sulfate anions enables strong binding to C2H2 via O⋅⋅⋅HC interactions but weak CO2 binding, affording a new benchmark for the difference between C2H2 and CO2 heats of sorption at low loading (ΔQst=24 kJ mol−1). Dynamic column breakthrough studies afforded fuel‐grade C2H2 from trace (1 : 99) or 1 : 1 C2H2/CO2 mixtures, outperforming its SiF62− analogue, SIFSIX‐22‐Zn.
Hybrid ultramicroporous materials, HUMs, are comprised of metal cations linked by combinations of inorganic and organic ligands. Their modular nature makes them amenable to crystal engineering studies, which have thus far afforded four HUM platforms (as classified by the inorganic linkers). HUMs are of practical interest because of their benchmark gas separation performance for several industrial gas mixtures. We report herein design and gramscale synthesis of the prototypal sulfate-linked HUM, the fsc topology coordination network ([Zn(tepb)(SO 4 )] n ), SO-FOUR-1-Zn, tepb = (tetra(4-pyridyl)benzene). Alignment of the sulfate anions enables strong binding to C 2 H 2 via O•••HC interactions but weak CO 2 binding, affording a new benchmark for the difference between C 2 H 2 and CO 2 heats of sorption at low loading (ΔQ st = 24 kJ mol À 1 ). Dynamic column breakthrough studies afforded fuel-grade C 2 H 2 from trace (1 : 99) or 1 : 1 C 2 H 2 /CO 2 mixtures, outperforming its SiF 6 2À analogue, SIFSIX-22-Zn.
From the first month of the COVID-19 pandemic, the potential antiviral properties of hydroxychloroquine (HCQ) and chloroquine (CQ) against SARS-CoV-2 suggested that these drugs could be the appropriate therapeutic candidates. However, their side effects directed clinical tests towards optimizing safe utilization strategies. The noble metal nanoparticles (NP) are promising materials with antiviral and antibacterial properties that can deliver the drug to the target agent, thereby reducing the side effects. In this work, we applied both the quantum mechanical and classical atomistic molecular dynamics approaches to demonstrate the adsorption properties of HCQ/CQ on Ag, Au, AgAu, and Pt nanoparticles. We found the adsorption energies of HCQ/CQ towards nanoparticles have the following trend: PtNP > AuNP > AuAgNP > AgNP. This shows that PtNP has the highest affinity in comparison to the other types of nanoparticles. The (non)perturbative effects of this drug on the plasmonic absorption spectra of AgNP and AuNP with the time-dependent density functional theory. The effect of size and composition of NPs on the coating with HCQ and CQ were obtained to propose the appropriate candidate for drug delivery. This kind of modeling could help experimental groups to find efficient and safe therapies.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.