Nature Search

Microkinetics of alcohol reforming for H₂ production from a FAIR density functional theory database

The production of hydrogen from biomass is of fundamental importance for a sustainable future. Here, the authors present a multiscale method that allows the formulation of scaling relationships and microkinetics of C₁-C₂ alcohol decomposition based on a density functional theory open database.

Qiang Li
Rodrigo García-Muelas
Núria López
ResearchOpen Access06 Feb 2018
Nature Communications

Volume: 9, P: 1-8
Digenic inheritance involving a muscle-specific protein kinase and the giant titin protein causes a skeletal muscle myopathy

Digenic inheritance of deleterious variants in serine/arginine protein kinase 3 (SRPK3) and titin (TTN) leads to a progressive early onset skeletal muscle myopathy. Zebrafish double mutants exhibit a similar myopathy phenotype accompanied by myofibrillar disorganization.

Ana Töpf
Dan Cox
Volker Straub
ResearchOpen Access01 Mar 2024
Nature Genetics

Volume: 56, P: 395-407
Nanostructure of nickel-promoted indium oxide catalysts drives selectivity in CO₂ hydrogenation

Palladium-promoted indium oxide is a catalyst with potential to realize the large-scale conversion of CO₂ into the commodity methanol. This work focuses on the low-cost nickel as an alternative appealing promoter, revealing the atomic-level catalyst design unlocking maximal selectivity and activity.

Matthias S. Frei
Cecilia Mondelli
Javier Pérez-Ramírez
ResearchOpen Access30 Mar 2021
Nature Communications

Volume: 12, P: 1-9
Absence of CO₂ electroreduction on copper, gold and silver electrodes without metal cations in solution

Metal cations present in the electrolyte are known to influence the performance in CO₂ electroreduction, but their specific role remains under discussion. Now, it is shown that the reaction can only take place in the presence of such cations, which are required to stabilize negatively charged reaction intermediates.

Mariana C. O. Monteiro
Federico Dattila
Marc T. M. Koper
Research26 Jul 2021
Nature Catalysis

Volume: 4, P: 654-662
Atomic-scale engineering of indium oxide promotion by palladium for methanol production via CO₂ hydrogenation

Generating and quantifying the effect of the promoter speciation in heterogeneous catalysts is very challenging. Here, the authors show that the precise palladium atoms architecture reached by controlled co-precipitation overcomes selectivity and stability limitations associated with palladium nanoparticles for CO₂-based methanol synthesis.

Matthias S. Frei
Cecilia Mondelli
Javier Pérez-Ramírez
ResearchOpen Access29 Jul 2019
Nature Communications

Volume: 10, P: 1-11
Statistical learning goes beyond the d-band model providing the thermochemistry of adsorbates on transition metals

Assessing catalytic mechanisms using DFT calculations greatly aids catalyst design, but is impractical for large molecules. Here the authors develop a statistical learning-based thermochemical model for estimating adsorption of organics onto metals, retaining DFT accuracy while reducing the number of calculations by a factor of 20.

Rodrigo García-Muelas
Núria López
ResearchOpen Access15 Oct 2019
Nature Communications

Volume: 10, P: 1-7
Strategies to break linear scaling relationships

The energies of the species in a given reaction network are linked by linear scaling relationships, limiting the design of catalysts with improved activity and selectivity. In this Perspective, López and Pérez-Ramírez discuss strategies to circumvent such scaling relationships.

Javier Pérez-Ramírez
Núria López
Reviews28 Oct 2019
Nature Catalysis

Volume: 2, P: 971-976
Evolutionary conserved role of eukaryotic translation factor eIF5A in the regulation of actin-nucleating formins

Verónica Muñoz-Soriano
Ana Domingo-Muelas
Nuria Paricio
ResearchOpen Access29 Aug 2017
Scientific Reports

Volume: 7, P: 1-9
Genotype–phenotype correlations in recessive titinopathies

Marco Savarese
Anna Vihola
Bjarne Udd
Research11 Aug 2020
Genetics in Medicine

Volume: 22, P: 2029-2040
Sequential targeted exome sequencing of 1001 patients affected by unexplained limb-girdle weakness

Ana Töpf
Katherine Johnson
Volker Straub
ResearchOpen Access11 Jun 2020
Genetics in Medicine

Volume: 22, P: 1478-1488

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