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Results: 334

Marco Galeotti, Massimo Bietti, Miquel Costas
Catalyst and Medium Control over Rebound Pathways in Manganese-Catalyzed Methylenic C–H Bond Oxidation
J. Am. Chem. Soc., 2024, 146, 8904-8914
DOI: 10.1021/jacs.3c11555
Keywords: High-valent metal complexes, Homogeneous catalysis, Oxidation, Reaction mechanisms, Regioselectivite functionalization

Matteo Castelli, Filippo Marchetti, Sílvia Osuna, A. Sofia F. Oliveira, AdrianJ. Mulholland, Stefano A. Serapian, Giorgio Colombo
Decrypting Allostery in Membrane-Bound K-Ras4B Using ComplementaryIn Silico Approaches Based on Unbiased Molecular Dynamics Simulations
J. Am. Chem. Soc., 2024, 146, 901-919
DOI: 10.1021/jacs.3c11396
Keywords: Biocatalysis, Enzyme design

Donglin Diao, Anna Baidiuk, Leo Chaussy, Iago De Assis Modenez, Xavi Ribas, Marius Réglier, Vlad Martin-Diaconescu, Paola Nava, A.Jalila Simaan, Alexandre Martinez, Cédric Colomban
Light-Induced Reactivity Switch at O₂ –Activating Bioinspired Copper(I) Complexes
JACS Au, 2024, 4, 1966-1974
DOI: 10.1021/jacsau.4c00184
Keywords: High-valent metal complexes, Homogeneous catalysis, Oxidation, Reaction mechanisms, Supramolecular chemistry

Arash Shams, Fereshteh Karkhaneh, Mehrsa Emami, HamidReza Teimoury, HosseinAli Khonakdar, Àngel Oliveras, Roger Monreal-Corona, Anna Pla-Quintana, Albert Poater, Naeimeh Bahri-Laleh
Ziegler-Natta catalyst particle size control in propylene/α-olefin (co)polymerizations
Molecular Catalysis, 2024, 553, 113748-
DOI: 10.1016/j.mcat.2023.113748
Keywords: Organometallics, Regioselectivite functionalization, Sustainable Catalysis

Javier A. Menendez, Elisabet Cuyàs, JoseAntonio Encinar, Travis Vander Steen, Sara Verdura, Àngela Llop-Hernández, Júlia López, Eila Serrano-Hervás, Sílvia Osuna, Begoña Martin-Castillo, Ruth Lupu
Fatty acid synthase (FASN ) signalome: A molecular guide for precision oncology
Molecular Oncology, 2024, [], ASAP-
DOI: 10.1002/1878-0261.13582
Keywords: Biocatalysis, Enzyme design

David A. Vargas, Xinkun Ren, Arkajyoti Sengupta, Ledong Zhu, Satyajit Roy, Marc Garcia-Borràs, K. N. Houk, Rudi Fasan
Biocatalytic strategy for the construction of sp3-rich polycyclic compounds from directed evolution and computational modelling
Nat. Chem., 2024, [], ASAP-
DOI: 10.1038/s41557-023-01435-3
Keywords: Biocatalysis, Computational chemistry, Cycloaddition, Enzyme design, Reaction mechanisms

Qun Zhao, Zhenhong Chen, Jordi Soler, Xiahe Chen, Jinyan Rui, Nathan Tianlin Ji, Qinglan E. Yu, Yunfang Yang, Marc Garcia-Borràs, Xiongyi Huang
Engineering non-haem iron enzymes for enantioselective C(sp3)–F bond formation via radical fluorine transfer
Nat. Synth, 2024, [], ASAP-
DOI: 10.1038/s44160-024-00507-7
Keywords: Biocatalysis, Computational chemistry, Enzyme design, Joint Exp-Comp, Reaction mechanisms

Qing-Qing Zeng, Qian-Yi Zhou, Carla Calvó-Tusell, Shuang-Yu Dai, Xiang Zhao, Marc Garcia-Borràs, Zhen Liu
Biocatalytic desymmetrization for synthesis of chiral enones using flavoenzymes
Nat. Synth, 2024, [], ASAP-
DOI: 10.1038/s44160-024-00596-4
Keywords: Biocatalysis, Enzyme design, Sustainable Catalysis

Àlex Díaz-Jiménez, Anna Roglans, Miquel Solà, Anna Pla-Quintana
Mechanistic insights into the rhodium catalysed dehydrogenative cycloaddition of cyano-yne-allene substrates
Org. Chem. Front., 2024, [], ASAP-
DOI: 10.1039/D4QO00378K
Keywords: Cycloaddition, Homogeneous catalysis, Joint Exp-Comp, Organometallics, Reaction mechanisms

Bittu Chandra, Faiza Ahsan, Yuan Sheng, Marcel Swart, Lawrence Que
A tale of two topological isomers: Uptuning [Fe^IV (O)(Me₄ cyclam)]²⁺ for olefin epoxidation
Proc. Natl. Acad. Sci. U.S.A., 2024, 121, ASAP-
DOI: 10.1073/pnas.2319799121
Keywords: High-valent metal complexes, Homogeneous catalysis, Joint Exp-Comp, Oxidation, Reaction mechanisms