Assessing the activity of Ni clusters supported on TiC(001) toward CO2 and H2 dissociation.
P. Lozano-Reis, H. Prats, R. Sayós, J. A. Rodriguez, F. Illas. J. Phys. Chem. C 125 (2021) 12019-12027. Small Ni particles supported on TiC(001) were shown to display a very […]
CO oxidation activity of Pt/CeO2 catalysts below 0°C: platinum loading effects.
A. I. Boronin, E. M. Slavinskaya, A. Figueroba, A. I. Stadnichenko, T. Y. Kardash, O. A. Stonkus, E. A. Fedorova, V. V. Muravev, V. A. Svetlichnyi, A. Bruix, K. M. […]
Highlights 2021
Clean and Sustainable Energy CO oxidation activity of Pt/CeO2 catalysts below 0°C: platinum loading effects. A. I. Boronin, E. M. Slavinskaya, A. Figueroba, A. I. Stadnichenko, T. Y. Kardash, O. […]
Effect of pH on the supramolecular structure of helicobacter pylori urease by molecular dynamics simulations.
H. L. Barazorda-Ccahuana, B. Gómez, F. Mas, S. Madurga.Polymers, 12 (2020) 2713. Ammonia production from Helicobacter pylori urease allows the pH of the environment to be regulated. At very acidic pHs protein denaturation occurs. The […]
A single point mutation converts GH84 O-GlcNAc hydrolases into phosphorylases. Experimental and theoretical evidence.
A. D. Tezé, J. Coines, L. Raich, V. Kalichuk, C. Solleux, C. Tellier, C. André-Miral, B. Svensson, C. Rovira.J. Am. Chem. Soc., 142 (2020) 2120. Glycoside hydrolases (GHs) and phosphorylases (GPs) are […]
On the binding of congo red to amyloid fibrils.
A. Espargaró, S. Llabrés, S. J. Saupe, C. Curutchet, F. J. Luque, R. Sabaté.Angew. Chem. Int. Ed. 59 (2020), 8104-8107. Congo red binds to amyloid fibrils with the long axis oblique to […]
Molecular determinants for the activation/inhibition of bak protein by BH3 peptides.
G. Vila-Julià, J. M. Granadino-Roldán, J. J. Perez , J. Rubio-Martinez.J. Chem. Inf. Model., 60 (2020) 1631-1643. Molecular determinants for the activation/inhibition of Bak protein on its active/inactive conformation by BH3 peptides. This […]
CANDYBOTS: a new generation of 3D‐printed sugar‐based transient small‐scale robots.
S. Gervasoni, A. Terzopoulou, C. Franco, A. Veciana, N. Pedrini, J. T. Burri, C. de Marco, E. C. Siringil, X‐Zh. Chen, B. J. Nelson, J. Puigmartí-Luis, S. Pané.Adv. Mater., 32 (2020) 2005652. Sugars […]
Direct and fast assessment of antimicrobial surface activity using molecular dynamics simulation and time-lapse imaging.
R. Sibilo, I. Mannelli, R. Reigada, C. Manzo, M. A. Noyan, P. Mazumder, V. Pruneri.Anal. Chem., 92 (2020) 6795-6800. With the alarming rise of antimicrobial resistance, studies on bacteria−surface interactions are both […]
Irreversible structural dynamics on the surface of bimetallic PtNi alloy catalyst under alternating oxidizing and reducing environments.
I. Khalakhan, L. Vega, M. Vorokhta, T. Skála, F. Viñes, Y. V. Yakovlev, K. M. Neyman, I. Matolínová.Appl. Catal. B: Environ., 264 (2020) 118476 Calculated equilibrium chemical ordering in 1:1 Pt:Ni nanocrystals […]