Notes

Keeping track of the particular charge-transfer procedure in the Nd-doped semiconductor according to photoluminescence as well as SERS engineering.
The observed luminescence spectra can be decomposed into two sets of sub-bands corresponding to Ce3+ centers occupying Sr1 and Sr2 sites with distinctly different Stokes shifts (1.27 and 0.54 eV, respectively), as suggested by the results of constrained density functional theory (cDFT). The cDFT results also suggest that the large shift for Ce3+ at Sr1 is induced by large distortion of the coordinated structure with shortening of the H-Ce bond in the excited state. The current findings expand the class of oxyhydride materials and show the potential of hydride-based phosphors for optical applications.Here we interrogate the structurally dense (1.64 mcbits/Å3) GABAA receptor antagonist bilobalide, intermediates en route to its synthesis, and related mechanistic questions. click here 13C isotope labeling identifies an unexpected bromine migration en route to an α-selective, catalytic asymmetric Reformatsky reaction, ruling out an asymmetric allylation pathway. Experiment and computation converge on the driving forces behind two surprising observations. First, an oxetane acetal persists in concentrated mineral acid (1.5 M DCl in THF-d8/D2O); its longevity is correlated to destabilizing steric clash between substituents upon ring-opening. Second, a regioselective oxidation of des-hydroxybilobalide is found to rely on lactone acidification through lone-pair delocalization, which leads to extremely rapid intermolecular enolate equilibration. We also establish equivalent effects of (-)-bilobalide and the nonconvulsive sesquiterpene (-)-jiadifenolide on action potential-independent inhibitory currents at GABAergic synapses, using (+)-bilobalide as a negative control. The high information density of bilobalide distinguishes it from other scaffolds and may characterize natural product (NP) space more generally. Therefore, we also include a Python script to quickly (ca. 132 000 molecules/min) calculate information content (Böttcher scores), which may prove helpful to identify important features of NP space.Multivariate metal-organic frameworks (MTV-MOFs) have drawn much attention in recent years for their promising applications in many fields of chemistry and materials. Constructing functional MOFs from multiple components for electrochemical water is crucial to high performance renewable energy storage and conversion devices. In this work, a series of bitmetallic-, trimetallic-, and tetrametallic-MOF-74/NFs were grown in situ on nickel foam (NF) by a facile solvothermal route. Specifically, the optimized FeCoMnNi-MOF-74/NF with a multilevel and hollow nanostructure was successfully fabricated and used as highly efficient bifunctional electrocatalysts for water splitting. It exhibited an ultralow overpotential of 250 and 108 mV to achieve the current density of 50 and 10 mA cm-2, along with the relatively small Tafel slope of 41.28 and 72.89 mV dec-1 for OER and HER in 1 M KOH, respectively. It is superior to other multimetallic-MOF-74 composites at the same condition and also surpasses the benchmark of commercial noble-metal catalysts as well. As a result, a low cell voltage of ca. 1.62 V was obtained at a current density of 10 mA cm-2, when tetrametallic FeCoMnNi-MOF-74/NF is employed as both anode and cathode electrodes for the real water splitting. The present work potentially provides a new insight into prospecting and designing multivariate MOFs as a promising material for efficient electrocatalysis in the practical application.Oxidation of key residues in cytochrome c (cyt c) by chloramine T (CT) converts the protein from an electron transporter to a peroxidase. This peroxidase-activated state represents an important model system for exploring the early steps of apoptosis. CT-induced transformations include oxidation of the distal heme ligand Met80 (MetO, +16 Da) and carbonylation (LysCHO, -1 Da) in the range of Lys53/55/72/73. Remarkably, the 15 remaining Lys residues in cyt c are not susceptible to carbonylation. The cause of this unusual selectivity is unknown. Here we applied top-down mass spectrometry (MS) to examine whether CT-induced oxidation is catalyzed by heme. To this end, we compared the behavior of cyt c with (holo-cyt c) and without heme (apoSS-cyt c). CT caused MetO formation at Met80 for both holo- and apoSS-cyt c, implying that this transformation can proceed independently of heme. The aldehyde-specific label Girard's reagent T (GRT) reacted with oxidized holo-cyt c, consistent with the presence of several LysCHO. In contrast, oxidized apo-cyt c did not react with GRT, revealing that LysCHO forms only in the presence of heme. The heme dependence of LysCHO formation was further confirmed using microperoxidase-11 (MP11). CT exposure of apoSS-cyt c in the presence of MP11 caused extensive nonselective LysCHO formation. Our results imply that the selectivity of LysCHO formation at Lys53/55/72/73 in holo-cyt c is caused by the spatial proximity of these sites to the reactive (distal) heme face. Overall, this work highlights the utility of top-down MS for unravelling complex oxidative modifications.Several lines of evidence suggest the role of air-conditioning systems in the transmission of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Furthermore, the likelihood of novel coronavirus to take refuge inside a microbial Trojan horse, that is, Acanthamoeba, can further enhance possibility of SARS-CoV-2 transmission in the environment. Here we propose the use of various disinfection strategies that can be employed using filters with antimicrobial fabricated surfaces or using UV irradiation to achieve germicidal properties for removal of pathogenic microbes such as SARS-CoV-2 and amoebae in the ventilation systems.Theory anticipates that the in-plane p x , p y orbitals in a honeycomb lattice lead to potentially useful quantum electronic phases. So far, p orbital bands were only realized for cold atoms in optical lattices and for light and exciton-polaritons in photonic crystals. For electrons, in-plane p orbital physics is difficult to access since natural electronic honeycomb lattices, such as graphene and silicene, show strong s-p hybridization. Here, we report on electronic honeycomb lattices prepared on a Cu(111) surface in a scanning tunneling microscope that, by design, show (nearly) pure orbital bands, including the p orbital flat band and Dirac cone.
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