Nature CatalysisPub Date : 2025-09-24DOI: 10.1038/s41929-025-01397-4
Valentin Briega-Martos, Rafael Guzman-Soriano, Jiahong Jiang, Yao Yang
{"title":"The (mis)uses of Tafel slope","authors":"Valentin Briega-Martos, Rafael Guzman-Soriano, Jiahong Jiang, Yao Yang","doi":"10.1038/s41929-025-01397-4","DOIUrl":"10.1038/s41929-025-01397-4","url":null,"abstract":"Tafel slope analysis, first proposed by Julius Tafel in 1905 and supported by the Butler–Volmer equation, is widely used to elucidate electrocatalytic mechanisms and evaluate kinetics. However, some misuses still frequently occur in the literature, calling for rigorous mechanistic investigations at single-crystal electrodes and under well defined mass-transport conditions.","PeriodicalId":18845,"journal":{"name":"Nature Catalysis","volume":"8 9","pages":"863-866"},"PeriodicalIF":44.6,"publicationDate":"2025-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145129524","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Nature CatalysisPub Date : 2025-09-24DOI: 10.1038/s41929-025-01415-5
Rudi Fasan
{"title":"Pushing the boundaries of biocatalysis","authors":"Rudi Fasan","doi":"10.1038/s41929-025-01415-5","DOIUrl":"10.1038/s41929-025-01415-5","url":null,"abstract":"The 2025 RepArtZymes conference featured the latest developments in the design and development of artificial and repurposed enzymes for synthetic and biotechnological applications. These contributions illustrate the impact of this rapidly expanding research area towards addressing key challenges in organic synthesis, medicinal chemistry, polymer chemistry, energy conversion, and environmental remediation.","PeriodicalId":18845,"journal":{"name":"Nature Catalysis","volume":"8 9","pages":"867-869"},"PeriodicalIF":44.6,"publicationDate":"2025-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145129518","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Nature CatalysisPub Date : 2025-09-24DOI: 10.1038/s41929-025-01401-x
Dmitry Yu. Murzin
{"title":"From isotherms to modern kinetics","authors":"Dmitry Yu. Murzin","doi":"10.1038/s41929-025-01401-x","DOIUrl":"10.1038/s41929-025-01401-x","url":null,"abstract":"Adsorption on solid surfaces is extremely important for various phenomena and applications. In the 1910s, adsorption and subsequent catalysis was described mainly in terms of diffusion through a fluid film to the interface. Langmuir developed the concept of a monolayer adsorption, which became the cornerstone of modern surface science.","PeriodicalId":18845,"journal":{"name":"Nature Catalysis","volume":"8 9","pages":"861-862"},"PeriodicalIF":44.6,"publicationDate":"2025-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145129523","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Nature CatalysisPub Date : 2025-09-24DOI: 10.1038/s41929-025-01400-y
Peter Westh, Jeppe Kari
{"title":"From descriptive to quantitative biocatalysis","authors":"Peter Westh, Jeppe Kari","doi":"10.1038/s41929-025-01400-y","DOIUrl":"10.1038/s41929-025-01400-y","url":null,"abstract":"The 1913 study ‘Die Kinetik der Invertinwirkung’, by Michaelis and Menten, marked a pivotal advancement in enzymology by illustrating the application of mechanistic models and quantitative kinetics to biocatalysis. The foundational framework described back then continues to have a strong impact on enzymology, with profound influences that range from undergraduate education to structure–function studies and the format and content of contemporary kinetic databases.","PeriodicalId":18845,"journal":{"name":"Nature Catalysis","volume":"8 9","pages":"859-860"},"PeriodicalIF":44.6,"publicationDate":"2025-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145129522","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Nature CatalysisPub Date : 2025-09-24DOI: 10.1038/s41929-025-01410-w
Jiri Damborsky, Petr Kouba, Josef Sivic, Michal Vasina, David Bednar, Stanislav Mazurenko
{"title":"Quantum computing for faster enzyme discovery and engineering","authors":"Jiri Damborsky, Petr Kouba, Josef Sivic, Michal Vasina, David Bednar, Stanislav Mazurenko","doi":"10.1038/s41929-025-01410-w","DOIUrl":"10.1038/s41929-025-01410-w","url":null,"abstract":"Quantum computing, by leveraging the unique principles of quantum mechanics, offers transformative potential for biocatalysis and related disciplines. Compared to classical algorithms, quantum algorithms deliver immense acceleration to quantum computers, making them suited for tackling computationally challenging problems such as simulating many-body biomolecular systems or enzyme-catalysed chemical reactions. However, current quantum hardware is constrained by noise, limited qubit coherence and high error rates, restricting its capacity to model complex biochemical phenomena. Here we explore the rapidly advancing landscape of quantum computing and its future applications in the discovery and rational engineering of biocatalysts. We identify key areas where quantum algorithms could surpass classical limitations, including the quantum chemistry-based design of biocatalysts with enhanced catalytic activity or selectivity, parallelized mining of novel enzymes, accurate ancestral sequence reconstruction, and combinatorial in silico protein evolution. Overcoming current hardware limitations could unlock transformative advances in both fundamental enzymology and industrial bioprocessing. Quantum computing is a promising technology to solve complex challenges that would take classical computers an impractical amount of time. This Perspective discusses the current state of quantum computing and possible applications in enzyme engineering and biocatalysis.","PeriodicalId":18845,"journal":{"name":"Nature Catalysis","volume":"8 9","pages":"872-880"},"PeriodicalIF":44.6,"publicationDate":"2025-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145129519","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Nature CatalysisPub Date : 2025-09-23DOI: 10.1038/s41929-025-01398-3
Changxi Yang, Chenyu Wu, Wenbo Xie, Daiqian Xie, P. Hu
{"title":"General reactive element-based machine learning potentials for heterogeneous catalysis","authors":"Changxi Yang, Chenyu Wu, Wenbo Xie, Daiqian Xie, P. Hu","doi":"10.1038/s41929-025-01398-3","DOIUrl":"10.1038/s41929-025-01398-3","url":null,"abstract":"Developing truly universal machine learning potentials for heterogeneous catalysis remains challenging. Here we introduce our element-based machine learning potential (EMLP), trained on a unique random exploration via imaginary chemicals optimization (REICO) sampling strategy. REICO samples diverse local atomic environments to build a representative dataset of atomic interactions, making the EMLP inherently general and reactive, capable of accurately predicting elementary reactions without explicit structural or reaction pathway inputs. We demonstrate the generality and reactivity of our approach by building a Ag-Pd-C-H-O EMLP targeting Pd–Ag catalysts interacting with C/H/O-containing species, achieving quantitative agreement with density functional theory even for complex scenarios such as surface reconstruction, coverage effects and solvent environments, cases for which existing foundation models typically fail. Our method paves the way to replace density functional theory calculations for large and intricate systems in heterogeneous catalysis, and offers a general framework that can readily be extended to other catalytic systems, and to broader fields such as materials science. It is challenging to design machine learning potentials for heterogeneous catalysis that are universal, reactive and have high accuracy. Now, an element-based machine learning potential relying on a random exploration via an imaginary chemicals optimization sampling strategy is put forward, and is successfully demonstrated for a range of applications.","PeriodicalId":18845,"journal":{"name":"Nature Catalysis","volume":"8 9","pages":"891-904"},"PeriodicalIF":44.6,"publicationDate":"2025-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145129517","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
京公网安备 11010802042870号
求助内容：
应助结果提醒方式：