Catalytic Valorisation of Small Oxygenate Molecules: From Reaction Mechanisms to Process Design and Sustainability Assessment

The catalytic valorization of small oxygenate molecules—such as alcohols, carboxylic acids, aldehydes, ketones, and organic carbonates, preferably derived from renewable sources—is a key area at the crossroads of green chemistry, catalysis, and sustainable process design. These molecules can be obtained through the conversion of renewable feedstocks via various approaches, including biomass fractionation, extraction, biopolymer depolymerization, pyrolysis, fermentation and CO₂ upgrading. They also serve as intermediates in the production of fuels, chemicals, and innovative materials. A deeper understanding of their reactivity, selectivity, and catalytic transformation is critical for designing high-performance catalysts that enhance efficiency and reduce environmental burdens across the full life cycle, in line with Life Cycle Assessment (LCA) principles. Innovations in catalyst design, mechanistic studies, and computational modelling are rapidly reshaping this field, enabling more sustainable conversion pathways, also in the frame of process intensification, allowing the optimal scale-up of the process. The goal of this Research Topic is to provide a comprehensive platform for showcasing recent advances in the catalytic valorization of small oxygenate molecules, with an emphasis on integrating fundamental, materials, and process-level insights, aiming to highlight interdisciplinary efforts that connect molecular-level understanding of reaction mechanisms with the rational design of catalytic systems and the development of sustainable, scalable chemical processes. This topic welcomes contributions across a broad range of catalytic approaches, including homogeneous, heterogeneous, enzymatic, photocatalytic, and electrocatalytic systems. Studies that bridge experimental and computational methodologies, uncovering structure–activity relationships, and exploring innovative pathways for oxygenate activation and conversion, are particularly well suited for the present Research Topics. Additionally, we encourage submissions addressing techno-economic analysis, life cycle assessment (including social-LCA), and broader sustainability implications, recognizing the importance of systems thinking in developing future-ready technologies. By bringing together diverse perspectives from across the chemical sciences, this Research Topic seeks to accelerate the development of efficient, environmentally responsible strategies. This Research Topic captures interdisciplinary progress—from fundamental studies to process integration—bridging molecular chemistry, materials science, and sustainability concepts.We welcome Original Research, Review, Mini Review and Perspective articles on themes including, but not limited to:• Mechanistic studies of catalytic reactions involving small oxygenates • Novel catalytic systems and materials as well as innovative strategies for the production or upgrading of small oxygenates• Integration with renewable energy or biomass conversion• Techno-economic analysis (TEA) and life cycle assessment (LCA)• Surface science and spectroscopic studies relevant to oxygenate conversion• Process intensification, reactor design, kinetic investigation and scale-up considerations Topic editors: Tommaso Tabanelli, Vincenzo Russo, Raffaele Cucciniello Source: https://www.frontiersin.org/research-topics/71844/catalytic-valorisation-of-small-oxygenate-molecules-from-reaction-mechanisms-to-process-design-and-sustainability-assessment