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We demonstrate that a diboration-electrocyclization sequence provides access to a range of pyridine-fused, small-molecule boronic ester building blocks, and that these are amenable to high-throughput synthesis leading to biaryl and ether-linked compound libraries. Moreover, the implementation of an integrated physicochemical and ADME profiling workflow allows accelerated design of novel lead compounds for application in drug-discovery projects.One nucleotide substitution in codon 4 of HLA-B*35010101 results in a novel allele, HLA-B*35482.Alveologenesis is a developmental step involving the expansion of the lung surface area which is essential for gas exchange. The gas exchange process is mediated by alveolar type I (AT1) cells, which are known to be differentiated from alveolar type II (AT2) or bipotent cells. Due to the difficulty of isolating and culturing primary AT1 cells, the mechanism underlying their differentiation is not completely understood. We performed single-cell RNA sequencing (scRNA-seq) of fibroblast-dependent alveolar organoids (FD-AOs), including human induced pluripotent stem cell (hiPSC)-derived epithelial cells and fetal lung fibroblasts, and identified hiPSC-derived AT1 (iAT1) cells. STA-9090 inhibitor A comparison of the FD-AOs and fibroblast-free alveolar organoids showed that iAT1 cells were mainly present in the FD-AOs. Importantly, the transcriptomes of iAT1 cells were remarkably similar to those of primary AT1 cells. Additionally, XAV-939, a tankyrase inhibitor, increased iAT1 cells in passaged FD-AOs, suggesting that these cells were differentiated from hiPSC-derived AT2 (iAT2) cells through the inhibition of canonical Wnt signaling. Consequently, our scRNA-seq data allowed us to define iAT1 cells and identify FD-AOs as a useful model for investigating the mechanism underlying human AT1 cell differentiation from AT2 cells in vitro.The electronic and nuclear structures of a series of [Cu(2,9-(X)2 -phen)2 ]+ copper(I) complexes (phen=1,10-phenanthroline; X=H, F, Cl, Br, I, Me, CN) in their ground and excited states are investigated by means of density functional theory (DFT) and time-dependent (TD-DFT) methods. Subsequent Born-Oppenheimer molecular dynamics is used for exploring the T1 potential energy surface (PES). The T1 and S1 energy profiles, which connect the degenerate minima induced by ligand flattening and Cu-N bond symmetry breaking when exciting the molecule are calculated as well as transition state (TS) structures and related energy barriers. Three nuclear motions drive the photophysics, namely the coordination sphere asymmetric breathing, the well-documented pseudo Jahn-Teller (PJT) distortion and the bending of the phen ligands. This theoretical study reveals the limit of the static picture based on potential energy surfaces minima and transition states for interpreting the luminescent and TADF properties of this class of molecules. Whereas minor asymmetric Cu-N bonds breathing accompanies the metal-to-ligand-charge-transfer re-localization over one or the other phen ligand, the three nuclear movements participate to the flattening of the electronically excited complexes. This leads to negligible energy barriers whatever the ligand X for the first process and significant ligand dependent energy barriers for the formation of the flattened conformers. Born-Oppenheimer (BO) dynamics simulation of the structural evolution on the T1 PES over 11 ps at 300 K confirms the fast backwards and forwards motion of the phenanthroline within 200-300 fs period and corroborates the presence of metastable C2 structures.HLA-A*02934 has one nucleotide change from HLA-A*02010101 at nucleotide 308.Many cities across China are investing in subway projects, resulting in much subway construction activity, which has experienced a surge over the past decade. The construction activities inevitably cause a dramatic quantity of subway-related excavated soil and rock (ESR). How to manage it with minimal environmental impact on our urban ecosystem remains an open question. The present study evaluates global warming potential (GWP, expressed by CO2 eq) from different ESR recycling and landfilling scenarios via a life cycle assessment (LCA) model based on primary field investigation combined with the LCA software database. The study results illustrate that recycling ESR can significantly reduce greenhouse gas emissions. In comparison with traditional construction materials, the scenarios found that a cumulative amount of 1.1 to 1.5 million tonnes (Mt) of CO2 eq emissions could have been mitigated by using ESR generated between 2010 and 2018 to produce baking-free bricks and recycled baked brick. Using cost-benefit analysis, potential economic benefits from recycled sand and baking-free bricks are found to reach US$9 million annually. The findings of this study could provide better recycling options for ESR-related stakeholders. It is important to mention that there still is much work to be done before this recycling work can be popularized in China. Integr Environ Assess Manag 2021;17639-650. © 2020 The Authors. Integrated Environmental Assessment and Management published by Wiley Periodicals LLC on behalf of Society of Environmental Toxicology & Chemistry (SETAC).Traumatic brain injury is associated with a high risk of mortality in veterinary patients, however publications describing valid prognostic indicators are currently lacking. The objective of this retrospective observational study was to determine whether early CT findings are associated with short-term prognosis following traumatic brain injury (TBI) in dogs. An electronic database was searched for dogs with TBI that underwent CT within 72 h of injury; 40 dogs met the inclusion criteria. CT findings were graded based on a Modified Advanced Imaging System (MAIS) from grade I (normal brain parenchyma) to VI (bilateral lesions affecting the brainstem with or without any foregoing lesions of lesser grades). Other imaging features recorded included presence of midline shift, intracranial hemorrhage, brain herniation, skull fractures, and percentage of total brain parenchyma affected. Outcome measures included survival to discharge and occurrence of immediate onset posttraumatic seizures. Thirty dogs (75%) survived to discharge.