Forsythpearce1841

Amyloid β (Aβ) monomers are the smallest assembly units, and play an important role in most of the individual processes involved in amyloid fibril formation. An important question is whether the monomer can adopt transient fibril-like conformations in solution. Here we use enhanced sampling simulations to study the Aβ42 monomer structural flexibility. We show that the monomer frequently adopts conformations with the N-terminus region structured very similarly to the conformation it adopts inside the fibril. This intrinsic propensity of monomeric Aβ to adopt fibril-like conformations could explain the low free energy barrier for Aβ42 fibril elongation.Boron neutron capture therapy (BNCT) is a particular type of radiotherapy that requires a selective and high concentration of boron accumulation in neoplastic cells. To distinguish the distribution of boron compounds between tumour and normal cells, multiple research groups have been involved and successively innovated a wide variety of boron-based compounds. Despite the development of numerous boron compounds, only boronophenylalanine (BPA) and sodium mercaptoundecahydro-closo-dodecaborate (BSH) have emerged as effective in clinical trials. Here, we highlight the detailed progress in the molecular design of BPA and BSH derivatives from the historical perspective to the latest advances in light of the widely accepted performance required for effective BNCT. In this report, we have provided an overview of a variety of derivatives of BPA and BSH, including amino acids, peptides, polymers, monoclonal antibodies and chelated complexes, and it is observed that such derivatives of BPA and BSH are judicious choices for BNCT. Finally, we have summarised the critical issues for BPA and BSH that must be addressed if BNCT is to become a more widely accepted clinical modality.Vanadium-doped cobalt oxide materials have emerged as a promising class of catalysts for the oxygen evolution reaction. Previous studies suggest vanadium doping in crystalline Co spinel materials tunes the electronic structure and stabilizes surface intermediates. We report a CoV2O4 material that shows good activity for the oxygen evolution reaction. However, postmortem characterization of the catalyst material shows dissolution of vanadium resulting in an amorphous CoOx material, suggesting that this vanadium-free material, and not CoV2O4, is the active catalyst. This study highlights the importance of postmortem characterization prior to mechanistic and computational analysis for this class of materials.Zero-dimensional (0D) all-inorganic/organic-inorganic metal halides, as emerging luminescent materials, have attracted unparalleled interest from versatile perspectives due to their unique crystallographic/electronic structures with isolated building units and fascinating optical characteristics. However, significant challenges still exist for 0D metal halides, including their chemical molecular design, photoluminescence (PL) mechanism, PL modification and applications. In this review, we summarize the 0D metal halides through the classification of all-inorganic and organic-inorganic hybrid metal halides, and further emphasize the unique role of B-site cations with different electronic configurations in the PL process. Furthermore, the PL mechanisms focusing on the self-trapped excitons (STEs) model and PL regulation engineering are examined to explore their extraordinary PL properties and further reveal new application prospects. This review aims to provide in-depth insight into the structure-luminescence-application relationship of 0D metal halides and pave the way for the realization of next-generation high-performance luminescent materials.Correction for 'Emerging per- and polyfluoroalkyl substances (PFAS) in human milk from Sweden and China' by Raed Awad et al., Environ. Sci. Processes Impacts, 2020, 22, 2023-2030, DOI 10.1039/D0EM00077A.Fe-Mimochrome VI*a is a synthetic peroxidase and peroxygenase, featuring two different peptides that are covalently-linked to deuteroheme. To perform a systematic structure/function correlation, we purposely shortened the distance between the distal peptide and the heme, allowing for the separation and characterization of two regioisomers. They differ in both His axial-ligand orientation, as determined by paramagnetic NMR shifts, and activity. These findings highlight that synthetic metalloenzymes may provide an efficient tool for disentangling the role of axial ligand orientation over peroxidase activity.Correction for 'In vivo migration of Fe3O4@polydopamine nanoparticle-labeled mesenchymal stem cells to burn injury sites and their therapeutic effects in a rat model' by Xiuying Li et al., Biomater. Linsitinib mouse Sci., 2019, 7, 2861-2872, DOI 10.1039/C9BM00242A.The body weight-lowering properties of a multifunctional ingredient (MIX) based on conjugated linoleic acid at low doses, the flavonoids proanthocyanidins and anthocyanidins and the chicken feet hydrolysate Hpp11 have been previously reported. The aim of this study was to evaluate the effect of long-term administration of MIX on other cardiometabolic risk factors associated with metabolic syndrome (MetS) in rats fed a cafeteria diet (CAF). Male Wistar rats were fed CAF for 11 weeks, and during the last 3 weeks, animals were orally administered MIX or vehicle. Lipid tolerance tests were performed before and after MIX administration. At the end of the experimental period, serum and inguinal white adipose tissue (iWAT) metabolism were analyzed by metabolomics and biochemical approaches. The metabolite signature of serum and iWAT significantly changed after 3 weeks of MIX administration, suggesting an improvement in lipid and glucose homeostasis in these animals. In addition, MIX also exhibited significant antihypertensive properties. These results suggest that MIX could be a good candidate to ameliorate the cardiometabolic risk factors related to MetS.In industries and academic laboratories, several late transition metal-catalyzed prerequisite reactions are widely performed during single and multistep synthesis. However, besides the desired products, these reactions lead to the generation of numerous chemical waste materials, by-products, hazardous gases, and other poisonous materials, which are discarded in the environment. This is partly responsible for the creation of global warming, resulting in climate adversities. Thus, the development of environmentally benign, cheap, easily accessible, and earth-abundant metal catalysts is desirable to minimize these issues. Certainly, iron is one of the most important metals belonging to this family. The field of iron catalysis has been explored in the last two-three decades out of its rich chemistry depending on its oxidation states and ligand cooperation. Moreover, this field has been enriched by the promising development of iron-catalyzed reactions namely, C-H bond activation, including organometallic C-H activation and C-H functionalization via outer-sphere pathway, cross-dehydrogenative couplings, insertion reactions, cross-coupling reactions, hydrogenations including hydrogen borrowing reactions, hydrosilylation and hydroboration, addition reactions and substitution reactions.