recessmaid16
recessmaid16
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Plant homeodomain finger protein 1 (PHF1) is an accessory component of the gene silencing complex polycomb repressive complex 2 and recognizes the active chromatin mark, trimethylated lysine 36 of histone H3 (H3K36me3). In addition to its role in transcriptional regulation, PHF1 has been implicated as a driver of endometrial stromal sarcoma and fibromyxoid tumors. We report the discovery and characterization of UNC6641, a peptidomimetic antagonist of the PHF1 Tudor domain which was optimized through in silico modeling and incorporation of non-natural amino acids. UNC6641 binds the PHF1 Tudor domain with a Kd value of 0.96 ± 0.03 μM while also binding the related protein PHF19 with similar potency. A crystal structure of PHF1 in complex with UNC6641, along with NMR and site-directed mutagenesis data, provided insight into the binding mechanism and requirements for binding. Additionally, UNC6641 enabled the development of a high-throughput assay to identify small molecule binders of PHF1.Nanocrystalline anatase TiO2 is a robust model anode for Li insertion in batteries. The influence of nanocrystal size on the equilibrium potential and kinetics of Li insertion is investigated with in operando spectroelectrochemistry of thin film electrodes. Distinct visible and infrared responses correlate with Li insertion and electron accumulation, respectively, and these optical signals are used to deconvolute bulk Li insertion from other electrochemical responses, such as double-layer capacitance, pseudocapacitance, and electrolyte leakage. Electrochemical titration and phase-field simulations reveal that a difference in surface energies between anatase and lithiated phases of TiO2 systematically tunes the Li-insertion potentials with the particle size. However, the particle size does not affect the kinetics of Li insertion in ensemble electrodes. Rather, the Li-insertion rates depend on the applied overpotential, electrolyte concentration, and initial state of charge. We conclude that Li diffusivity and phase propagation are not rate limiting during Li insertion in TiO2 nanocrystals. Both of these processes occur rapidly once the transformation between the low-Li anatase and high-Li orthorhombic phases begins in a particle. Instead, discontinuous kinetics of Li accumulation in TiO2 particles prior to the phase transformations limits (dis)charging rates. We demonstrate a practical means to deconvolute the nonequilibrium charging behavior in nanocrystalline electrodes through a combination of colloidal synthesis, phase field simulations, and spectroelectrochemistry.This study used ZnO nanoparticles (NPs) as seed treatments and as soil amendments to enhance Zn concentrations in wheat grain. In the seed treatment experiment, seeds were treated with dextran coated (DEX-ZnO) and bare ZnO NP suspensions, in addition to ZnSO4, at 500 mg Zn/L. In the soil amendment experiment, soil pH was adjusted to 6 and 8, then soils were spiked with 15 mg Zn/kg soil in the form of DEX-ZnO and bare ZnO NPs, as well as ZnSO4. For the seed treatment, ZnO NPs resulted in significantly higher grain Zn concentration 96.9 ± 25.4 compared to (72.2 ± 25.4), (78.3 ± 24.3), and (81.0 ± 19.4) mg Zn/kg in the control, ZnSO4, and DEX-ZnO NPs treatments, respectively. In the soil amendment experiment, grain Zn concentrations were the same across all Zn treatments regardless of soil pH. Plants grown at pH 6 had higher Zn accumulation and leaf and stem biomass compared to pH 8. This study demonstrates that treatment of seeds with ZnO NPs can enhance Zn content of grain using far less Zn than is typically used for soil amendments. This may help reduce the environmental impact of Zn fertilization.A variety of techniques involving the use of mass spectrometry (MS) have been developed to obtain structural information on proteins and protein complexes. One example of these techniques, surface-induced dissociation (SID), has been used to study the oligomeric state and connectivity of protein complexes. Recently, we demonstrated that appearance energies (AE) could be extracted from SID experiments and that they correlate with structural features of specific protein-protein interfaces. While SID AE provides some structural information, the AE data alone are not sufficient to determine the structures of the complexes. For this reason, we sought to supplement the data with computational modeling, through protein-protein docking. In a previous study, we demonstrated that the scoring of structures generated from protein-protein docking could be improved with the inclusion of SID data; however, this work relied on knowledge of the correct tertiary structure and only built full complexes for a few cases. Here, we performed docking using input structures that require less prior knowledge, using homology models, unbound crystal structures, and bound+perturbed crystal structures. Using flexible ensemble docking (to build primarily subcomplexes from an ensemble of backbone structures), the RMSD100 of all (15/15) predicted structures using the combined Rosetta, cryo-electron microscopy (cryo-EM), and SID score was less than 4 Å, compared to only 7/15 without SID and cryo-EM. Symmetric docking (which used symmetry to build full complexes) resulted in predicted structures with RMSD100 less than 4 Å for 14/15 cases with experimental data, compared to only 5/15 without SID and cryo-EM. Finally, we also developed a confidence metric for which all (26/26) proteins flagged as high confidence were accurately predicted.Most coagulation studies focus on pollutant removal or floc separation efficiency. However, to understand the mechanism of coagulation, it is necessary to explore the behavior of coagulation in terms of the interactions among the functional groups on the surface of the metal hydrolysis precipitates during the hydrolysis process. In this study, for the first time, aluminum sulfate (alum) was used to investigate such interactions over the whole process sequence of hydrolysis, coagulation, and crystallization with, and without (as a control), the presence of specific low molecular weight (LMW) (molecular weight less then 1000 Da) organic compounds with different chemical bonds. CCT245737 in vivo It was observed that primary nanoparticles (NPs) of around 10 nm size were produced during the hydrolysis of alum. The presence of organic compounds was found to influence the coagulation performance by affecting the metal hydrolysis and the properties of the nanoparticles. At pH 7, ethylenediaminetetraacetic acid disodium salt (EDTA) delayed the time when the particles start to aggregate but increased the maximum size of the flocs, while citric acid caused the crystallization of amorphous hydrates and inhibited the coagulation performance.

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