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9,10-substituted anthracenes are known for their useful optical properties like fluorescence, which makes them frequently used probes in sensing applications. In this article, we investigate the fundamental photophysical properties of three pyridyl-substituted variants. The nitrogen atoms in the pyridinium six-membered rings are located in the ortho-, meta-, and para-positions in relation to the anthracene core. Absorption, fluorescence, and transient absorption measurements were carried out and were complemented by theoretical calculations. We monitored the photophysics of the anthracene derivatives in chloroform and water investigating the protonated as well as their nonprotonated forms. We found that the optical properties of the nonprotonated forms are strongly determined by the anthracene chromophore, with only small differences to other 9,10-substituted anthracenes, for example diphenyl anthracene. In contrast, protonation leads to a strong decrease in fluorescence intensity and lifetime. Transient absorption measurements and theoretical calculations revealed the formation of a charge-transfer state in the protonated chromophores, where electron density is shifted from the anthracene moiety toward the protonated pyridyl substituents. While the para- and ortho-derivatives' charge transfer is still moderately fluorescent, the meta-derivative is affected much stronger and shows nearly no fluorescence. This nitrogen-atom-position-dependent sensitivity to hydronium activity makes a combination of these fluorophores very attractive for pH-sensing applications covering a broadened pH range.With a large amount of research dedicated to decoding how metallic species bind to proteins, in silico methods are interesting allies for experimental procedures. To date, computational predictors mostly work by identifying the best possible sequence or structural match of the target protein with metal-binding templates. These approaches are fundamentally focused on the first coordination sphere of the metal. Here, we present the BioMetAll predictor that is based on a different postulate the formation of a potential metal-binding site is related to the geometric organization of the protein backbone. We first report the set of convenient geometric descriptors of the backbone needed for the algorithm and their parameterization from a statistical analysis. Then, the successful benchmark of BioMetAll on a set of more than 90 metal-binding X-ray structures is presented. Because BioMetAll allows structural predictions regardless of the exact geometry of the side chains, it appears extremely valuable for systems whose structures (either experimental or theoretical) are not optimal for metal-binding sites. We report here its application on three different challenging cases (i) the modulation of metal-binding sites during conformational transition in human serum albumin, (ii) the identification of possible routes of metal migration in hemocyanins, and (iii) the prediction of mutations to generate convenient metal-binding sites for de novo biocatalysts. This study shows that BioMetAll offers a versatile platform for numerous fields of research at the interface between inorganic chemistry and biology and allows to highlight the role of the preorganization of the protein backbone as a marker for metal binding. BioMetAll is an open-source application available at https//github.com/insilichem/biometall.The digestion and absorption of different structural lipids in human milk may be different. Hence, by simulating in vitro infant digestion and Caco-2 cells to explore the effects of 1-oleoyl-2-palmitoyl-3-linoleoylglycerol (OPL)/1,3-dilinoleoyl-2-palmitoylglycerol (LPL)/1,3-dioleoyl-2-palmitoylglycerol (OPO) and their mixtures (M) (OPL/LPL/OPO in M1, M2, and M3 were 1.5/0.5/1, 1.2/1.2/1, and 0.5/0.2/1, respectively) on digestion and absorption. The digestibility of the OPO group was higher than those of the OPL and LPL groups, and the M3 group was higher than the M1 and M2 groups. The synthesis and transport of triglycerides in Caco-2 cells in OPL and LPL groups were higher than the OPO group, and the M1 group was significantly higher than that of M3. The expression of FABP1, PPARα, and MTT protein in OPL and M1 groups was significantly higher than OPO and M3, respectively. There are differences in the digestion and absorption of differently structured lipids from this study.The control of soot emission from diesel vehicles is of extraordinary importance to the environment, and catalytic removal of soot is a highly effective and clean method. Here, we report a novel, non-noble metal catalyst for application in the catalytic combustion of soot with superb activity and resistance to H2O and SO2. Selleck CC-930 MnO x oxide was prepared via a hydrothermal method, and then, Cs and Co were loaded on MnO x by impregnation. The 5%Cs/1%Co/MnO x catalyst displayed excellent catalytic activity with values of T10 (332 °C), T50 (371 °C), and T90 (415 °C) under loose contact. The as-prepared catalysts were investigated by X-ray powder diffraction (XRD), transmission electron microscopy (TEM), H2 temperature-programmed reduction (TPR), O2 temperature-programmed desorption (TPD), X-ray photoelectron spectroscopy (XPS), and X-ray absorption fine structure (XAFS). The results suggest that, after the introduction of Cs and Co into the MnO x oxide, more NO2 molecules take part in soot oxidation, exhibiting higher NO2 utilization efficiency; this is due to the synergistic effects of multiple components (Cs, Co, and Mn) promoting the generation of more surface-active oxygen and then accelerating the reaction between NO2 and soot. This study provides significant insights into the development of high-efficiency catalysts for soot oxidation, and the developed 5%Cs/1%Co/MnO x catalyst is a promising candidate for application in diesel particulate filters.Gold nanoparticles are well-known to exhibit size-dependent properties that are responsible for their unique catalytic, optical, and electronic applications. However, electron-phonon coupling, which is important for photocatalysis and light harvesting, is one of the rare properties of gold that is size-independent above a threshold value, e.g., for nanospheres larger than approximately 5 nm in diameter. Here, we show that when interfaced to a comparably sized Pt nanoparticle, the electron-phonon coupling constant of the hybrid material depends on the diameter of the Au domain. This is important because the electron-phonon coupling constant describes the efficiency by which hot electrons are converted to local heat by the primary electron-phonon scattering thermalization channel. We begin by synthesizing a library of Au-Pt hybrid nanoparticle heterodimers by growing size-tunable Au nanoparticles on Pt nanoparticle seeds. By systematically varying reagent concentration and reaction time, the Au domain diameter of the Au-Pt hybrid nanoparticle heterodimers can be tuned between 4.
Read More: https://www.selleckchem.com/products/cc-930.html