Motivated by recent observations of ergodicity breaking due to Hilbert space fragmentation in 1D Fermi-Hubbard chains with a tilted potential [Scherg et al., arXiv2010.12965], we show that the same system also hosts quantum many-body scars in a regime U≈Δ≫J at electronic filling factor ν=1. We numerically demonstrate that the scarring phenomenology in this model is similar to other known realizations such as Rydberg atom chains, including persistent dynamical revivals and ergodicity-breaking many-body eigenstates. At the same time, we show that the mechanism of scarring in the Fermi-Hubbard model is different from other examples in the literature the scars originate from a subgraph, representing a free spin-1 paramagnet, which is weakly connected to the rest of the Hamiltonian's adjacency graph. Our work demonstrates that correlated fermions in tilted optical lattices provide a platform for understanding the interplay of many-body scarring and other forms of ergodicity breaking, such as localization and Hilbert space fragmentation.Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has evolved into a pandemic of unprecedented scale. This coronavirus enters cells by the interaction of the receptor binding domain (RBD) with the human angiotensin-converting enzyme 2 receptor (hACE2). In this study, we employed a rational structure-based design to propose 22-mer stapled peptides using the structure of the hACE2 α1 helix as a template. These peptides were designed to retain the α-helical character of the natural structure, to enhance binding affinity, and to display a better solubility profile compared to other designed peptides available in the literature. We employed different docking strategies (PATCHDOCK and ZDOCK) followed by a double-step refinement process (FIBERDOCK) to rank our peptides, followed by stability analysis/evaluation of the interaction profile of the best docking predictions using a 500 ns molecular dynamics (MD) simulation, and a further binding affinity analysis by molecular mechanics with generalized Born and surface area (MM/GBSA) method. Our most promising stapled peptides presented a stable profile and could retain important interactions with the RBD in the presence of the E484K RBD mutation. We predict that these peptides can bind to the viral RBD with similar potency to the control NYBSP-4 (a 30-mer experimentally proven peptide inhibitor). Furthermore, our study provides valuable information for the rational design of double-stapled peptide as inhibitors of SARS-CoV-2 infection.CoMo sulfides are typical catalysts for selective hydrodeoxygenation (HDO) of phenolics to aromatics which is important in bio-oil upgrading. However, it is still a challenge to promote the intrinsic activity of Co-MoS2 catalysts. Defect chemistry provides a good option to improve surface reactivity in catalysis. In this work, we report a facile H2O2 etching method to tailor the concentration of surface acidic sites. https://www.selleckchem.com/products/guanosine-5-triphosphate-trisodium-salt.html The molar ratio of H2O2/MoS2 can be altered to tune sulfur defects on the MoS2 surface for stabilizing Co species to form CoMoS active sites. The optimized Co-MoS2-2 catalyst, with the highest concentration of acidic sites, exhibits 3.4 times higher activity than the Co-MoS2-0 sample in the HDO of p-cresol to toluene. It is also found the HDO activity shows a linear relationship with the amount of surface acid (both Lewis and Brønsted acid) over the Co-MoS2-x catalysts. We believe that the understanding of the role of surface acidity would provide new opportunities for the rational design of efficient Co-MoS2 catalysts.Nitrogen dioxide, NO2, is a free radical composed of the two most abundant elements in Earth's atmosphere, nitrogen and oxygen, and is relevant to atmospheric and combustion chemistry. The electronic structure of even its lowest-lying states is remarkably complex, with various conical intersections and Renner-Teller pairings, giving rise to complex and perturbed vibronic states. Here we report some analysis of the 18 molecular states of doublet spin-multiplicity formed by combining ground-state N(4Su) and O(3Pg) atoms. Three-dimensional potential energy surfaces were fit at the MRCI(Q)-F12/VTZ-F12 level, describing the lowest four (X̃, Ã, B̃, and C̃) electronic states. A properties-based diabatization procedure was applied to accommodate the intersections, producing energies in a quasidiabatic representation and yielding couplings that were also fit into surfaces. The low-lying vibrational levels on the ground X̃ state were computed and compared with experimental measurements. Compared to experiment, the lowest 125 calculated vibrational levels (up to 8500 cm-1 above the zero-point energy) have a root-mean-squared error of 16.5 cm-1. In addition, dipole moments for each of the lowest four electronic states-and the transition dipoles between them-were also computed and fit. With the coupled energy and dipole surfaces, the electronic spectrum was calculated in absolute intensity and compared with experimental measurements. Detailed structure in the experimental spectrum was successfully reproduced, and the total integrated intensity matches experiment to an accuracy of ∼1.5% with no empirical adjustments.In recent years, considerable breakthroughs have been achieved in the explored photodetectors with improved performance and stability. However, such devices suffer from the drifting parameters (photoresponsivity, response time, and specific detectivity) in the case of evident operating temperature changes. Here, a double perovskite Cs2NaBiCl6-based ultraviolet (UV) photodetector is developed free from thermal disturbance, exhibiting a steady photoresponsivity (≈ 67.98 mA/W) and response time (≈ 16.42 ms) within a wide temperature range (from 273 to 333 K). Further studies demonstrate that the stability of the crystal structure endows the superior photodetection capability. This result unambiguously highlights the great potential of such double perovskite Cs2NaBiCl6 compound as an environmentally friendly alternative for UV photodetectors.Based on the energy conservation approach, this study develops a universal model to predict the maximum spreading factor of liquid droplet impact on a smooth solid surface. Validated with the present simulations and experiments in the literature, this model effectively overcomes the limitation of previous models in the viscous regime and greatly reduces the computing errors from over 30% to below 6%. It is demonstrated that the underestimated maximum spreading factor by previous models results from the overestimation of viscous dissipation. By replacing the conventional model of spreading time, tm = 8D0/3U0, with a more precise one, tm = 1.47τiWe-0.44, the formulation to compute the viscous dissipation of entire spreading is improved. Finally, we examine the applicability of present model in the capillary regime and good performance is also shown.