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The catalytic conversion of polyolefins into gasoline-range alkanes requires a comprehensive understanding of the catalytically active species and their corresponding performance. Here the authors tackle this need by examining the nuclearity of the chloroaluminate ions and their interactions with reaction intermediates.

The recognition of the importance of HCHO in methanol to olefins (MTO) makes it imperative to quantify its concentration in the reaction and distribution over the catalyst bed. Here the authors quantify the concentration level of HCHO and its distribution along the catalyst bed in MTO, and explores its role in methanol conversion.

Copper-exchanged zeolites with mordenite structure can mimic the active sites in particulate methane monooxygenase. Here, the authors show that mordenite micropores can stabilize trinuclear copper-oxo clusters that exhibit a high reactivity towards activation of carbon–hydrogen bonds in methane.

The rates of acid-catalysed reactions vary in constrained environments. Here the authors show that molecularly sized pores greatly promote aqueous phase alcohol dehydration by enhancing the association between substrate and hydronium ions, and even by lowering the free energy barrier.

Alcohol dehydration can be challenging in aqueous phase. Here the authors show that hydronium ions confined with zeolite pores catalyse alcohol dehydration at a significantly increased rate relative to aqueous phase hydronium ions, driven by an increased association between the ion and alcohol and a greater entropy of activation.

Hydrogen binding and furfural adsorption are critical steps in Pd-catalyzed furfural hydrogenation reactions in aqueous phases. Here, the authors explore how hydronium ion at different pH values modifies the rate constant for this reaction.

Placing extra-framework aluminium species in the proximity of Brønsted acid sites is one of the most effective ways of tuning the energetics of zeolite-catalysed reactions. Here, using pentane cracking as an example, the authors show that grafting extra-framework silica species instead represents a valuable alternative way to modulate zeolite acitivty.

The open circuit potential (OCP) complicates catalytic reactions significantly. Here the authors demonstrate that the self-established OCP at the catalyst-aqueous interface is important to stabilize the cationic intermediate and transition state, and enhance the reaction rate in benzyl alcohol hydrogenolysis.

Solvent effects play major roles in determining the mechanism of catalytic reactions, but their understanding remains often qualitative. Here, the authors provide a quantitative analysis of the effect of solvents on the catalytic hydrogenation of benzaldehyde on palladium, revealing the solvents’ crucial role in modulating the hydrogen-binding strength.

The structure of water around Brønsted acid sites in zeolites is shown to influence their catalytic activity. Here the authors shed light on confinement effects in different pores zeolites/water interfaces acidic strength by means of ab-initio molecular dynamics and enhanced sampling metadynamics techniques.

Crystalline M1 phase of Mo-V-Te-Nb mixed oxide is an excellent catalyst for ethane oxidative dehydrogenation to ethene. Here, the authors show a method that synthesizes highly active materials by generating M1 crystals with corrugated terminations, thus exposing a large concentration of active sites.

Molecular interactions with both oxides and metals are essential for heterogenous catalysis, leading to remarkable impacts on activity. Here the authors show that a direct link between Cu and ZrO2 in a metal organic framework is required to hydrogenate CO2 to methanol.

Zeolite-catalysed alkylations of phenolic compounds offer unique possibilities for the valorization of renewable aromatics into substituted arenes. Now, a mechanistic study reveals that the course of the reaction can be dramatically altered by changing the polarity of the solvent, which affects the nature of surface species and the pathway for the generation of the alkylating electrophile.

Substitution of framework silicon for aluminium in zeolites affects Brønsted acidity and subsequently catalytic activity. Here, the authors use atom probe tomography to obtain quantitative insights into the spatial distribution of individual aluminium atoms, including their distribution and segregation.

Reforming of methane with H₂S bears a potential for the practical generation of hydrogen from sour natural gas but remains underutilized. Here the authors analyse the reactivity of metal oxides of group 4–6 elements, which are commonly regarded as inert supports for methane activation, and highlight the substantial reactivity of these material ascribed to highly dynamic cation-bound sulfur species.

Metabolic reprogramming contributes to cancer development and progression. Here, the authors show the utility of a metabolic drug library to uncover metabolic vulnerabilities and obtain functional insights into myeloid leukemia biology.

To achieve net-zero carbon emissions, we must close the carbon cycle for industries that are difficult to electrify. Developing the needed science to provide carbon alternatives and non-fossil carbon will accelerate advances towards defossilization.

Mechanochemistry is a promising technology to tackle current and future polymer waste streams for a sustainable future. With this review, we take into account synthetic, computational, technical, and engineering perspectives to converge trituration and polymer mechanochemistry with a particular focus on the fate of commodity polymers and potential technologies to monitor mechanochemical reactions while they occur. We highlight the need for future transdisciplinary research to tackle the high-leverage parameters governing an eventually successful mechanochemical polymer degradation approach for a circular economy.