The COVID-19 pandemic rapidly became a worldwide healthcare emergency affecting millions of people, with poor outcomes for patients with chronic conditions and enormous pressure on healthcare systems. Pulmonary fibrosis (PF) has been cited as a risk factor for a more severe evolution of COVID-19, primarily because its acute exacerbations are already associated with high mortality. We reviewed the available literature on biochemical, pathophysiological, and pharmacological mechanisms of PF and COVID-19 in an attempt to foresee the particular risk of infection and possible evolution of PF patients if infected with SARS-COV-2. We also analyzed the possible role of medication and risk factors (such as smoking) in the disease's evolution and clinical course. We found out that there is a complexity of interactions between coexisting idiopathic pulmonary fibrosis/interstitial lung disease (ILD) and COVID-19 disease. Also, patients recovering from severe COVID-19 disease are at serious risk of developing PF. Smokers seem to have, in theory, a chance for a better outcome if they develop a severe form of COVID-19 but statistically are at **** higher risk of dying if they become critically ill.An efficient three-component domino or one-pot strategy has been developed for the synthesis of medicinally important benzothiophene and benzothiopheno[2,3-e]azepinedione derivatives for the first time. Amine-promoted selective cleavage of C-S bond of thioisatin is the key step in this process. The reported methodology benefits from environmentally friendly solvent (H2O), wide substrate scope, good functional group tolerance, and high reaction yields.Present herein is a stepwise assembly method toward aluminum-lanthanide-based (Al-Ln) compounds. From the perspective of charge balance, polyanions are necessary to bind with Ln ions. However, the synthesis of polyanions aluminum compounds remains quite challenging. Herein, two Al4 polyanions [Al4(L)4(Cat)2]·4Hdma (AlOC-13, H3L= 2,3-dihydroxybenzoic acid, Cat = catechol, and dma = dimethylamine) and [Al4(L)4(HL)2(DMF)2]·4Hdma·0.5DMF·0.5H2O (AlOC-14, DMF = N,N-dimethylformamide) were successfully obtained under solvothermal conditions. Catechol and Hdma were generated from the in situ decarboxylation of H3L ligand and decomposition of DMF, respectively. AlOC-13 is qualified for further coordination assembly for the available vacancy coordination sites, good water solubility, and scale-up synthesis. The assembly of Al4 polyanions with equivalent Ln ions afforded a series of zigzag chain structures [LnAl4(L)4(Cat)2(DMF)2(H2O)3]·Hdma (Ln = Sm, Eu, Gd, Tb, Dy, Ho, Er, Yb) (AlOC-13-Ln). Moreover, the magnetic behavior and photoluminescence of the series of AlOC-13-Ln were also studied. AlOC-13-Dy shows obvious antiferromagnetic behavior, while AlOC-13-Tb exhibits excellent green characteristic luminescence. This study not only paves the way toward anionic aluminum clusters but also reveals their potential application in water treatment of cationic metal ions capture.[2,1]Benzothiazine S,S-dioxides 2 were synthesized by simply heating o-nitrostyrenes with elemental sulfur in 3-picoline with complete atom economy. This reaction was found to occur without any added catalyst and consist of a cascade of reduction of the nitro group, sulfuration of a C-H of the double bond, oxidation of a sulfur atom to its highest oxidation state by the migration of two oxygen atoms from the nitro group, and formation of new N-S bonds. Furthermore, the method could also be applied to o-nitrocinnamamides and cinnamate esters.Density functional theory (DFT)-based methods often significantly underpredict chemical reaction barriers compared with experiments because of the tendency of DFT to overstabilize transition states with stretched bonds due to the impact of unphysical electron self-interaction. However, many reactions have early or late transition states where the transition state geometry closely resembles the reactants or products, respectively. The role of self-interaction in those cases is not known. Here we compare the performance of DFT with and without self-interaction correction (SIC) for describing the hydrogenation of CO and CO2 catalyzed by a Lewis acid-base pair incorporated onto an aromatic cluster, using CCSD(T) results for reference. The three elementary steps in these reactions consist of an early, a middle, and a late transition. Our results show that the Perdew-Zunger SIC (PZ-SIC), implemented in the Fermi-Löwdin orbital SIC (FLO-SIC) approach, qualitatively improves the description of the forward and reverse reaction barriers relative to uncorrected DFT for the middle transition but not the early or late transitions. By contrast, the local scaling SIC (LSIC) method, also implemented in the FLO-SIC framework, significantly improves the calculated barriers over DFT and PZ-SIC in all but one case. The results also show how the FLO-SIC approach can provide insight into the bonding in aromatic systems.Cu, Al, and 316L stainless steel are the main components of the current collectors and coin-type cells used in the characterization of potassium-ion battery (KIB) materials and are expected to be electrochemically inactive. Herein, their electrochemical stabilities in a nonaqueous potassium-bis(fluorosulfonyl)imide (KFSI)-based electrolyte are investigated. In dynamic- and transient-mode polarization, passivation of each metal is observed to occur below 3.9, 3.8, and 4.05 V versus K+/K for Cu, Al, and 316L stainless steel, respectively, which are considered the threshold potentials. https://www.selleckchem.com/products/molidustat-(bay85-3934).html The composition of the passive layers of each metal is determined using time-of-flight secondary-ion mass spectrometry. The passive layers of Cu and Al consist of Cu-O (CuO or Cu2O) and Al-O (Al2O3), respectively, and 316L stainless steel is passivated with an outermost Cr-F (CrF3) layer and an inner Cr-O (Cr2O3) layer. Above the threshold potentials, however, severe corrosion of each metal occurs accompanied by the dissolution of metal ions, which could affect the reliability of experimental results for KIBs using KFSI-based electrolytes.
The COVID-19 pandemic rapidly became a worldwide healthcare emergency affecting millions of people, with poor outcomes for patients with chronic conditions and enormous pressure on healthcare systems. Pulmonary fibrosis (PF) has been cited as a risk factor for a more severe evolution of COVID-19, primarily because its acute exacerbations are already associated with high mortality. We reviewed the available literature on biochemical, pathophysiological, and pharmacological mechanisms of PF and COVID-19 in an attempt to foresee the particular risk of infection and possible evolution of PF patients if infected with SARS-COV-2. We also analyzed the possible role of medication and risk factors (such as smoking) in the disease's evolution and clinical course. We found out that there is a complexity of interactions between coexisting idiopathic pulmonary fibrosis/interstitial lung disease (ILD) and COVID-19 disease. Also, patients recovering from severe COVID-19 disease are at serious risk of developing PF. Smokers seem to have, in theory, a chance for a better outcome if they develop a severe form of COVID-19 but statistically are at much higher risk of dying if they become critically ill.An efficient three-component domino or one-pot strategy has been developed for the synthesis of medicinally important benzothiophene and benzothiopheno[2,3-e]azepinedione derivatives for the first time. Amine-promoted selective cleavage of C-S bond of thioisatin is the key step in this process. The reported methodology benefits from environmentally friendly solvent (H2O), wide substrate scope, good functional group tolerance, and high reaction yields.Present herein is a stepwise assembly method toward aluminum-lanthanide-based (Al-Ln) compounds. From the perspective of charge balance, polyanions are necessary to bind with Ln ions. However, the synthesis of polyanions aluminum compounds remains quite challenging. Herein, two Al4 polyanions [Al4(L)4(Cat)2]·4Hdma (AlOC-13, H3L= 2,3-dihydroxybenzoic acid, Cat = catechol, and dma = dimethylamine) and [Al4(L)4(HL)2(DMF)2]·4Hdma·0.5DMF·0.5H2O (AlOC-14, DMF = N,N-dimethylformamide) were successfully obtained under solvothermal conditions. Catechol and Hdma were generated from the in situ decarboxylation of H3L ligand and decomposition of DMF, respectively. AlOC-13 is qualified for further coordination assembly for the available vacancy coordination sites, good water solubility, and scale-up synthesis. The assembly of Al4 polyanions with equivalent Ln ions afforded a series of zigzag chain structures [LnAl4(L)4(Cat)2(DMF)2(H2O)3]·Hdma (Ln = Sm, Eu, Gd, Tb, Dy, Ho, Er, Yb) (AlOC-13-Ln). Moreover, the magnetic behavior and photoluminescence of the series of AlOC-13-Ln were also studied. AlOC-13-Dy shows obvious antiferromagnetic behavior, while AlOC-13-Tb exhibits excellent green characteristic luminescence. This study not only paves the way toward anionic aluminum clusters but also reveals their potential application in water treatment of cationic metal ions capture.[2,1]Benzothiazine S,S-dioxides 2 were synthesized by simply heating o-nitrostyrenes with elemental sulfur in 3-picoline with complete atom economy. This reaction was found to occur without any added catalyst and consist of a cascade of reduction of the nitro group, sulfuration of a C-H of the double bond, oxidation of a sulfur atom to its highest oxidation state by the migration of two oxygen atoms from the nitro group, and formation of new N-S bonds. Furthermore, the method could also be applied to o-nitrocinnamamides and cinnamate esters.Density functional theory (DFT)-based methods often significantly underpredict chemical reaction barriers compared with experiments because of the tendency of DFT to overstabilize transition states with stretched bonds due to the impact of unphysical electron self-interaction. However, many reactions have early or late transition states where the transition state geometry closely resembles the reactants or products, respectively. The role of self-interaction in those cases is not known. Here we compare the performance of DFT with and without self-interaction correction (SIC) for describing the hydrogenation of CO and CO2 catalyzed by a Lewis acid-base pair incorporated onto an aromatic cluster, using CCSD(T) results for reference. The three elementary steps in these reactions consist of an early, a middle, and a late transition. Our results show that the Perdew-Zunger SIC (PZ-SIC), implemented in the Fermi-Löwdin orbital SIC (FLO-SIC) approach, qualitatively improves the description of the forward and reverse reaction barriers relative to uncorrected DFT for the middle transition but not the early or late transitions. By contrast, the local scaling SIC (LSIC) method, also implemented in the FLO-SIC framework, significantly improves the calculated barriers over DFT and PZ-SIC in all but one case. The results also show how the FLO-SIC approach can provide insight into the bonding in aromatic systems.Cu, Al, and 316L stainless steel are the main components of the current collectors and coin-type cells used in the characterization of potassium-ion battery (KIB) materials and are expected to be electrochemically inactive. Herein, their electrochemical stabilities in a nonaqueous potassium-bis(fluorosulfonyl)imide (KFSI)-based electrolyte are investigated. In dynamic- and transient-mode polarization, passivation of each metal is observed to occur below 3.9, 3.8, and 4.05 V versus K+/K for Cu, Al, and 316L stainless steel, respectively, which are considered the threshold potentials. https://www.selleckchem.com/products/molidustat-(bay85-3934).html The composition of the passive layers of each metal is determined using time-of-flight secondary-ion mass spectrometry. The passive layers of Cu and Al consist of Cu-O (CuO or Cu2O) and Al-O (Al2O3), respectively, and 316L stainless steel is passivated with an outermost Cr-F (CrF3) layer and an inner Cr-O (Cr2O3) layer. Above the threshold potentials, however, severe corrosion of each metal occurs accompanied by the dissolution of metal ions, which could affect the reliability of experimental results for KIBs using KFSI-based electrolytes.
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