Fullerene hexakis-adducts bearing 12 peripheral mannose moieties have been prepared by grafting sugar derivatives onto the fullerene core and assayed as inhibitors of FimH, a bacterial adhesin, using isothermal titration calorimetry, surface plasmon resonance and hemagglutination assays.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1039/c0cc04468g | DOI Listing |
J Chem Theory Comput
January 2025
Technische Universitát Berlin, Institut für Chemie, Theoretische Chemie/Quantenchemie, Sekr. C7, Straße des 17. Juni 135, Berlin D-10623, Germany.
Local hybrid functionals (LHs) use a real-space position-dependent admixture of exact exchange (EXX), governed by a local mixing function (LMF). The systematic construction of LMFs has been hampered over the years by a lack of exact physical constraints on their valence behavior. Here, we exploit a data-driven approach and train a new type of "n-LMF" as a relatively shallow neural network.
View Article and Find Full Text PDFDalton Trans
January 2025
School of Material Science and Engineering, Hebei University of Technology, Tianjin 300130, P. R. China.
The design of acidic oxygen evolution reaction (OER) electrocatalysts with high activity and durability is the key to achieving efficient hydrogen production. Herein, we report a Cr-doped RuO (RuCrO) catalyst that exhibits good OER activity in acidic electrolytes. The doping of Cr increases the valence state of Ru, which enhances the activity of the catalyst, and a current density of 10 mA cm can be achieved at only 235 mV, which is superior to that of unmodified RuO of 299 mV.
View Article and Find Full Text PDFUnlabelled: Proteins commonly self-assemble to create liquid or solid condensates with diverse biological activities. The mechanisms of assembly are determined by each protein's sequence and cellular context. We previously developed distributed amphifluoric FRET (DAmFRET) to analyze sequence determinants of self-assembly in cells.
View Article and Find Full Text PDFCommun Phys
December 2024
Institut für Theoretische Physik, TU Wien, Wiedner Hauptstraße 8-10, A-1040 Wien, Austria.
Despite the intrinsic charge heterogeneity of proteins plays a crucial role in the liquid-liquid phase separation (LLPS) of a broad variety of protein systems, our understanding of the effects of their electrostatic anisotropy is still in its early stages. We approach this issue by means of a coarse-grained model based on a robust mean-field description that extends the DLVO theory to non-uniformly charged particles. We numerically investigate the effect of surface charge patchiness and net particle charge on varying these features independently and with the use of a few parameters only.
View Article and Find Full Text PDFSci Technol Adv Mater
January 2025
Magnetic Functional Device Group, Research Center for Magnetic and Spintronic Materials (CMSM), National Institute for Materials Science (NIMS), Tsukuba, Japan.
We demonstrate high-throughput evaluation of the half-metallicity of CoMnSi Heusler alloys by spin-integrated hard X-ray photoelectron spectroscopy (HAXPES) of composition-spread films performed with high-brilliance synchrotron radiation at NanoTerasu, which identifies the optimum composition showing the best half-metallicity. Co Mn Si composition-spread thin films for = 10-40% with a thickness of 30 nm are fabricated on MgO(100) substrates using combinatorial sputtering technique. The 2-ordering and (001)-oriented epitaxial growth of CoMnSi are confirmed by X-ray diffraction for = 18-40%.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!