# data[].attributes.annote
Mo/H‐ZSM‐5 has been studied using a combination of operando X‐ray absorption spectroscopy and High Resolution Powder Diffraction in order to study the evolution of Mo species and their location within the zeolite pores. The results indicate that after calcination the majority of the species present are isolated Mo‐oxo species, attached to the zeolite framework at the straight channels. During reaction, Mo is first partially carburized to intermediate MoCxOy species. At longer reaction times Mo fully carburizes detaching from the zeolite and aggregates forming initial Mo1.6C3 clusters; this is coincident with maximum benzene production. The Mo1.6C3 clusters are then observed to grow, predominantly on the outer zeolite surface and this appears to be the primary cause of catalyst deactivation. The deactivation is not only due to a decrease in the amount of active Mo surface but also due to a loss in shape‐selectivity which leads to an increased carbon deposition at the outer shell of the zeolite crystals and eventually to pore blockage.

# data[].attributes.title
Determination of Molybdenum Species Evolution during Non‐Oxidative Dehydroaromatization of Methane and its Implications for Catalytic Performance

# data[].attributes.title
Investigation of the Dynamics of 1-Octene Adsorption at 293 K in a ZSM-5 Catalyst by Inelastic and Quasielastic Neutron Scattering

# data[].attributes.title
QENS study of methane diffusion in Mo/H-ZSM-5 used for the methane dehydroaromatisation reaction

# data[].attributes.title
Tuning of catalytic sites in Pt/TiO2 catalysts for the chemoselective hydrogenation of 3-nitrostyrene

# data[].attributes.title
Concise synthesis of artemisinin from a farnesyl diphosphate analogue

# data[].attributes.title
Biocatalytic Routes to Lactone Monomers for Polymer Production

# data[].attributes.annote
QENS shows that methanol is immobile in a fresh ZSM-5 catalyst and one used for methanol conversion at 623 K, but undergoes isotropic rotation within the mesopores generated in a catalyst used for methanol conversion at 673 K.

# data[].attributes.title
The effects of MTG catalysis on methanol mobility in ZSM-5

# data[].attributes.annote
Multiscale simulations pinpoint specific interactions responsible for differences in stabilization of key reacting species in two recognized targets for antibiotic development.

# data[].attributes.title
QM/MM simulations identify the determinants of catalytic activity differences between type II dehydroquinase enzymes

# data[].attributes.title
P450-Catalyzed Regio- and Diastereoselective Steroid Hydroxylation: Efficient Directed Evolution Enabled by Mutability Landscaping

# data[].attributes.journal
Journal of the American Chemical Society

# data[].attributes.title
A Noncanonical Proximal Heme Ligand Affords an Efficient Peroxidase in a Globin Fold

# data[].attributes.annote
At high loading, methanol reacts under ambient conditions with acidic hydroxyls of H-ZSM-5 to methoxylate framework oxygen; while a significant proportion remains hydrogen bonded to the framework with protonated geometry.

# data[].attributes.title
Room temperature methoxylation in zeolite H-ZSM-5: an operando DRIFTS/mass spectrometric study

# data[].attributes.title
Impact of Nanoparticle–Support Interactions in Co3O4/Al2O3 Catalysts for the Preferential Oxidation of Carbon Monoxide

# data[].attributes.title
Artificial Metalloenzymes as Catalysts for Oxidative Lignin Degradation

# data[].attributes.title
Concurrent Biocatalytic Oxidation and C–C Bond Formation via Gold Catalysis: One-Pot Alkynylation of N-Alkyl Tetrahydroisoquinolines

# data[].attributes.annote
Hybrid quantum mechanics/molecular mechanics (QM/MM) calculations on lysozyme show significant distortion of the bound saccharide is required to facilitate the catalytic reaction.

# data[].attributes.title
Quantum Mechanics/Molecular Mechanics Simulations Show Saccharide Distortion is Required for Reaction in Hen Egg‐White Lysozyme

# data[].attributes.title
Elementary Steps in the Formation of Hydrocarbons from Surface Methoxy Groups in HZSM-5 Seen by Synchrotron Infrared Microspectroscopy

# data[].attributes.annote
Real‐time Small Angle X‐Ray Scattering (SAXS) has been used to investigate the homogeneity of a series of molecular iridium complexes during water oxidation catalysis in aqueous NaIO4 solution through a continuous flow cell. The results obtained for the unstable [Cp*Ir(OH2)3]2+ precursor forming amorphous IrOx nanoparticles (NPs) in‐situ validate and complement previous Dynamic Light Scattering (DLS) studies by providing enhanced sensitivity for small particle sizes and increased temporal resolution under realistic reaction conditions. Correlating particle formation profiles with O2 evolution traces allowed homogeneous catalysis to be clearly distinguished from heterogeneous catalysis. A series of seven pyridine−alkoxide Cp*Ir complexes are shown to be fully homogeneous by SAXS, validating previous studies and confirming their catalysis to be molecular in nature throughout the reaction.

# data[].attributes.title
In Situ Monitoring of Nanoparticle Formation during Iridium‐Catalysed Oxygen Evolution by Real‐Time Small Angle X‐Ray Scattering

# data[].attributes.title
Simplified lipid II-binding antimicrobial peptides: Design, synthesis and antimicrobial activity of bioconjugates of nisin rings A and B with pore-forming peptides

# data[].attributes.title
Discovery, Characterization, Engineering, and Applications of Ene-Reductases for Industrial Biocatalysis

# data[].attributes.title
Structural selectivity of supported Pd nanoparticles for catalytic NH3 oxidation resolved using combined operando spectroscopy

# meta.provider.name
Physical Sciences Data Infrastructure (PSDI)

# meta.provider.description
The Physical Sciences Data Infrastructure (PSDI) is an integrated data infrastructure that directly supports researchers in the physical sciences in the UK to manage, transform and share their data led by the Science and Technology Facilities Council (STFC) and the University of Southampton. As part of this ecosystem, PSDI serves as an OPTIMADE provider to make some data sources available via OPTIMADE endpoints.