Mccallummoser4660

The enrichment factors were 29.1-43.9 fold and the limits of detection were 0.33-0.78 ng mL-1. The spiked recoveries were 85.4-105.9% for milk and 85.2-103.7% for pork samples, with relative standard deviations of 0.8-5.7%. The developed method provided a fast, sensitive and reliable determination platform for fluoroquinolones in complex real samples.Various databases of density functional theory (DFT) calculations for materials and adsorption properties are currently available. Using the Materials Project and GASpy databases of material stability and binding energies (H* and CO*), respectively, we evaluate multiple aspects of catalysts to discover active, stable, CO-tolerant, and cost-effective hydrogen evolution and oxidation catalysts. Finally, we suggest a few candidate materials for future experimental validations. We highlight that the stability analysis is easily obtainable but provides invaluable information to assess thermodynamic and electrochemical stability, bridging the gap between simulations and experiments. Furthermore, it reduces the number of expensive DFT calculations required to predict catalytic activities of surfaces by filtering out unstable materials.Covering 2010-2020The digital revolution is driving significant changes in how people store, distribute, and use information. With the advent of new technologies around linked data, machine learning and large-scale network inference, the natural products research field is beginning to embrace real-time sharing and large-scale analysis of digitized experimental data. Databases play a key role in this, as they allow systematic annotation and storage of data for both basic and advanced applications. The quality of the content, structure, and accessibility of these databases all contribute to their usefulness for the scientific community in practice. This review covers the development of databases relevant for microbial natural product discovery during the past decade (2010-2020), including repositories of chemical structures/properties, metabolomics, and genomic data (biosynthetic gene clusters). It provides an overview of the most important databases and their functionalities, highlights some early meta-analyses using such databases, and discusses basic principles to enable widespread interoperability between databases. Furthermore, it points out conceptual and practical challenges in the curation and usage of natural products databases. Finally, the review closes with a discussion of key action points required for the field moving forward, not only for database developers but for any scientist active in the field.A practical copper-catalyzed highly regioselective 1,2-hydrocarboxylation of terminal 1,3-diene with carbon dioxide has been developed. Under mild reaction conditions, this chemistry afforded 2-benzyl-β,γ-unsaturated acid derivatives as products, which are a kind of important unit for bio-active molecules and versatile precursors for organic synthesis, with good functional group tolerance. The key intermediate in this transformation is illustrated by control experiments.The interaction of cyclopeptides bound to the surface of mixed monolayer-protected gold nanoparticles with sulfate anions causes the crosslinking and concomitant precipitation of the nanoparticles from aqueous solutions even in presence of an excess of competing anions, thus allowing the naked eye detection of sulfate in water.Electrochemical reduction of nitrogen to ammonia under ambient conditions is regarded as a potential approach to tackle the energy-intensive Haber-Bosch process. However, it usually suffers from extremely low ammonia yield and faradaic efficiency due to the lack of highly active and selective electrocatalysts. Herein, fusiform-like ruthenium-copper alloy nanosheets (RuCu-FNs) were prepared by alloy engineering and utilized for the electrocatalytic NRR under ambient conditions. A high FE of 7.2% and an NH3 yield rate of 53.6 μg h-1 mgcat-1 were achieved at -0.1 V vs. RHE, which were better than those of the corresponding non-metallic catalyst and most alloy catalysts. The superior performance was ascribed to the differentiated second catalytic site for achieving both effectively adsorptive activation of chemically inert N2 and intermediate desorption from the catalyst surface. The source of NH3 was also identified with isotopic labeling via a self-developed simple and economic pathway. We provided a feasible pathway for the rational design of electrocatalysts for artificial N2 fixation.The use of self-assembled monolayers (SAMs) as selective charge extracting layers in perovskite solar cells is a great approach to replace the commonly used charge selective contacts, as they can easily modify the interface to enhance the final solar cell performance. Here, we report a novel synthetic approach of the commonly known zinc phtalocyanine (ZnPc) molecule TT1, widely employed in dye-sensitized solar cells and previously used in perovskite solar cells. TT1 is used as a p-type selective contact, and it demonstrates its ability to form SAM on top of the indium tin oxide (ITO) transparent electrode, obtaining higher efficiencies compared to PedotPSS based perovskite solar cells. The differences observed, with an enhanced open-circuit voltage and overall efficiency in TT1 devices are correlated with differences in energetics rather than recombination kinetics.Localized surface plasmon resonance draws great attentions mainly due to its enhanced near electric field, i.e., plasmonic hotspots. The symmetry breaking via oblique incidence of light is predicted to influence the intensity of plasmonic hotspots. However, relevant experimental investigation in quantitative comparison with theory is still lacking. Here, we visualize the polarization-dependent plasmonic hotspots of a triangular Ag nanoplate through oblique-incidence photoemission electron microscopy (PEEM), revealing a non-uniform near-field enhancement. Under oblique incidence, two bright spots and one dark spot were identified in the polarization-averaged PEEM image, different from that for normal illumination where bright spots with equal intensity are anticipated. E64d mouse In polarization-dependent PEEM images, plasmonic hotspots appeared at specific corners of a triangular Ag nanoplate, and rotated in a manner consistent with the rotation of polarization angle. The experimental intensity maps of the photoelectron were well reproduced by simulation on a quantitative level.