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Computational-aided synthesis of single-atom Ni catalyst for paired electrosynthesis
IF 9.4
Chem Catalysis Pub Date : 2024-09-19 DOI: 10.1016/j.checat.2024.101117
Jia-qi Bai, Lin-can Fang, Song Sun, Gui-lin Zhuang
{"title":"Computational-aided synthesis of single-atom Ni catalyst for paired electrosynthesis","authors":"Jia-qi Bai, Lin-can Fang, Song Sun, Gui-lin Zhuang","doi":"10.1016/j.checat.2024.101117","DOIUrl":"https://doi.org/10.1016/j.checat.2024.101117","url":null,"abstract":"<p>In this issue of <em>Chem Catalysis</em>, Peng et al. utilized a computational-aided strategy to synthesize oxygen-enriched Ni-NOC single-atom catalysts with the coordination geometry of Ni-N<sub>4</sub>O<sub>1</sub>, featuring the excellent performance of hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>) formation coupled with 5-hydroxymethylfurfural oxidation. This research advances the development of rationally designed high-performance electrocatalysts for H₂O₂ generation.</p>","PeriodicalId":53121,"journal":{"name":"Chem Catalysis","volume":null,"pages":null},"PeriodicalIF":9.4,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142246179","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Predicting hydroformylation regioselectivity from literature data via machine learning
IF 9.4
Chem Catalysis Pub Date : 2024-09-19 DOI: 10.1016/j.checat.2024.101111
Shuai Chen, Robert Pollice
{"title":"Predicting hydroformylation regioselectivity from literature data via machine learning","authors":"Shuai Chen, Robert Pollice","doi":"10.1016/j.checat.2024.101111","DOIUrl":"https://doi.org/10.1016/j.checat.2024.101111","url":null,"abstract":"<p>In this issue of <em>Chem Catalysis</em>, Mao et al. develop machine learning models that predict terminal alkene regioselectivity in catalytic hydroformylation, showing that high temperature, low pressure, and low metal concentration favor linear products. These models enable high-throughput screening, potentially advancing innovations in this industrial process.</p>","PeriodicalId":53121,"journal":{"name":"Chem Catalysis","volume":null,"pages":null},"PeriodicalIF":9.4,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142246175","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
N-methylpiperidine catalyzes efficient closed-loop recycling of polyesters and polycarbonates
IF 9.4
Chem Catalysis Pub Date : 2024-09-19 DOI: 10.1016/j.checat.2024.101096
Jason Y.C. Lim
{"title":"N-methylpiperidine catalyzes efficient closed-loop recycling of polyesters and polycarbonates","authors":"Jason Y.C. Lim","doi":"10.1016/j.checat.2024.101096","DOIUrl":"https://doi.org/10.1016/j.checat.2024.101096","url":null,"abstract":"<p>In a recent issue of <em>Cell Reports Physical Science</em>, Lin and coworkers describe a highly efficient method for methanolysis of polyesters and polycarbonates mediated by <em>N</em>-methylpiperidine. Mechanistic studies revealed the important roles of hydrogen bonding to achieve reaction efficiency, offering a simple method for closed-loop recycling of mixed plastic waste.</p>","PeriodicalId":53121,"journal":{"name":"Chem Catalysis","volume":null,"pages":null},"PeriodicalIF":9.4,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142246174","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
An electrocatalytic oxidative approach to synthesis urea
IF 9.4
Chem Catalysis Pub Date : 2024-09-19 DOI: 10.1016/j.checat.2024.101115
Shuangyin Wang
{"title":"An electrocatalytic oxidative approach to synthesis urea","authors":"Shuangyin Wang","doi":"10.1016/j.checat.2024.101115","DOIUrl":"https://doi.org/10.1016/j.checat.2024.101115","url":null,"abstract":"<p>In a recent issue of <em>Nature Catalysis</em>, Xiong et al. develop an electro-oxidative coupling approach on Pt to efficiently synthesize urea from CO and NH<sub>3</sub>. The authors propose that the coupling of CO and NH<sub>3</sub> leads to the formation of cyanate, followed by the Wöhler reaction to form urea.</p>","PeriodicalId":53121,"journal":{"name":"Chem Catalysis","volume":null,"pages":null},"PeriodicalIF":9.4,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142246037","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Transfer learning improves predictions of enzyme kinetic parameters
IF 9.4
Chem Catalysis Pub Date : 2024-09-19 DOI: 10.1016/j.checat.2024.101121
Alexander Kroll
{"title":"Transfer learning improves predictions of enzyme kinetic parameters","authors":"Alexander Kroll","doi":"10.1016/j.checat.2024.101121","DOIUrl":"https://doi.org/10.1016/j.checat.2024.101121","url":null,"abstract":"<p>In this issue of <em>Chem Catalysis</em>, Shen and colleagues present a novel model architecture and training technique for predicting enzyme kinetic parameters. The proposed models are an important step toward the development of more accurate kinetic prediction models, which are needed for many important industrial and scientific applications.</p>","PeriodicalId":53121,"journal":{"name":"Chem Catalysis","volume":null,"pages":null},"PeriodicalIF":9.4,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142246180","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Solvent-controlled diastereoselectivity of alkyne semihydrogenation
IF 9.4
Chem Catalysis Pub Date : 2024-09-19 DOI: 10.1016/j.checat.2024.101114
Rafał Kusy
{"title":"Solvent-controlled diastereoselectivity of alkyne semihydrogenation","authors":"Rafał Kusy","doi":"10.1016/j.checat.2024.101114","DOIUrl":"https://doi.org/10.1016/j.checat.2024.101114","url":null,"abstract":"<p>One of the crucial aspects of alkyne semihydrogenation is diastereoselectivity control. In this issue of <em>Chem Catalysis</em>, Werlé et al. described a rhodium-based system that may lead to (<em>Z</em>)- or (<em>E</em>)-alkenes, depending on the solvent. The outer-sphere mechanism was observed for (<em>Z</em>)-semihydrogenation while (<em>Z</em>)→(<em>E</em>) isomerization proceeds via the inner-sphere mechanism.</p>","PeriodicalId":53121,"journal":{"name":"Chem Catalysis","volume":null,"pages":null},"PeriodicalIF":9.4,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142246178","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Catalyzing the future
IF 9.4
Chem Catalysis Pub Date : 2024-09-19 DOI: 10.1016/j.checat.2024.101124
Alexandra K. Stephan
{"title":"Catalyzing the future","authors":"Alexandra K. Stephan","doi":"10.1016/j.checat.2024.101124","DOIUrl":"https://doi.org/10.1016/j.checat.2024.101124","url":null,"abstract":"No Abstract","PeriodicalId":53121,"journal":{"name":"Chem Catalysis","volume":null,"pages":null},"PeriodicalIF":9.4,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142246176","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Control of the electron spin state for enhancing plasmonic nitrogen fixation
IF 9.4
Chem Catalysis Pub Date : 2024-09-19 DOI: 10.1016/j.checat.2024.101112
Penglei Wang, Boyuan Wu, Hao Wu, Jianfang Wang
{"title":"Control of the electron spin state for enhancing plasmonic nitrogen fixation","authors":"Penglei Wang, Boyuan Wu, Hao Wu, Jianfang Wang","doi":"10.1016/j.checat.2024.101112","DOIUrl":"https://doi.org/10.1016/j.checat.2024.101112","url":null,"abstract":"<p>In this issue of <em>Chem Catalysis</em>, Wang et al. have synthesized a single-atom Au<sub>3</sub>Fe<sub>1</sub>/Mo alloy featuring medium-spin Fe(III) through an alloying strategy to enhance plasmonic nitrogen fixation. The enhancement mechanism has been found to originate from the medium-spin Fe centers acting as active sites that facilitate the adsorption and activation of nitrogen molecules.</p>","PeriodicalId":53121,"journal":{"name":"Chem Catalysis","volume":null,"pages":null},"PeriodicalIF":9.4,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142246177","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
From photons to reactions: key concepts in photoredox catalysis 从光子到反应：光氧化催化的关键概念
IF 9.4
Chem Catalysis Pub Date : 2024-09-13 DOI: 10.1016/j.checat.2024.101110
Simon De Kreijger, Felix Glaser, Ludovic Troian-Gautier
{"title":"From photons to reactions: key concepts in photoredox catalysis","authors":"Simon De Kreijger, Felix Glaser, Ludovic Troian-Gautier","doi":"10.1016/j.checat.2024.101110","DOIUrl":"https://doi.org/10.1016/j.checat.2024.101110","url":null,"abstract":"<p>Photoredox catalysis has emerged as a powerful tool for organic synthesis, enabling the generation of reactive intermediates under mild reaction conditions. In this review, a special emphasis is placed on key concepts essential to understand and subsequently optimize photoredox catalytic processes. These focus on the formation and deactivation of the excited state and its reactivity. Specifically, the importance of the excited-state lifetime for diffusional quenching, the formation of the encounter complex, and the crucial role of non-covalent interactions in facilitating pre-association between reagents are discussed. Furthermore, excited-state deactivation pathways induced by a quencher are considered, differentiating between energy-transfer and electron-transfer processes. Finally, we address the importance of cage escape yields for the case of electron-transfer quenching and the determination of reaction quantum yield by actinometry measurements. Comprehension of these parameters will enable the development of more efficient and selective photocatalytic processes and open technological locks.</p>","PeriodicalId":53121,"journal":{"name":"Chem Catalysis","volume":null,"pages":null},"PeriodicalIF":9.4,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142175072","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Direct construction of aryl amide N-glycosides from glycosyl oxamic acids via photoredox palladium-catalyzed aminocarbonylations 通过光氧化钯催化氨基羰基化反应，从氨基氧肟酸直接构建芳基酰胺 N-糖苷
IF 9.4
Chem Catalysis Pub Date : 2024-09-12 DOI: 10.1016/j.checat.2024.101109
Xinyue Xie, Shiyin Zhao, Yang Han, Anrong Chen, Bo Yang, Bo Zhu, Yingzi Li, Jun Zhou, Feng Zhu
{"title":"Direct construction of aryl amide N-glycosides from glycosyl oxamic acids via photoredox palladium-catalyzed aminocarbonylations","authors":"Xinyue Xie, Shiyin Zhao, Yang Han, Anrong Chen, Bo Yang, Bo Zhu, Yingzi Li, Jun Zhou, Feng Zhu","doi":"10.1016/j.checat.2024.101109","DOIUrl":"https://doi.org/10.1016/j.checat.2024.101109","url":null,"abstract":"<p>Despite the flourishing synthesis of <em>O</em>-glycosides, progress in <em>N</em>-glycoside synthesis has been impeded by significant challenges due to the weak nucleophilicity of amides. Here, we unveil an interesting photoredox palladium (Pd)-catalyzed aminocarbonylation of glycosyl oxamic acids with (hetero)aryl bromides to synthesize aryl <em>N</em>-amide glycosides. This method employs a merging single- and two-electron strategy for the first time, leveraging glycosyl oxamic acids as traceless carbamoyl radical precursors. By bypassing the elusive anomeric control of C–N glycosidic bond formation between sugars and aglycones, our approach offers a promising alternative for the synthesis of aryl amide <em>N</em>-glycosides. The versatility and applicability of this innovative strategy are demonstrated through a comprehensive examination of 65 examples, encompassing diverse (hetero)aryl electrophiles, saccharides, oligosaccharides, oligopeptides, and complex drug molecules. Mechanistic insights, gleaned from experimental and computational studies, elucidate a successive SET pathway and the generation of carbamoyl radicals in this synergistic catalytic process.</p>","PeriodicalId":53121,"journal":{"name":"Chem Catalysis","volume":null,"pages":null},"PeriodicalIF":9.4,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142171299","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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