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Results: 340

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, 18, 479-516
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, 16, 817-826
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, 3, 958-966
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, 11, 3655-3662
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, e2319799121
DOI: 10.1073/pnas.2319799121
Keywords: High-valent metal complexes, Homogeneous catalysis, Joint Exp-Comp, Oxidation, Reaction mechanisms

AbdulRajjak Shaikh, Anna Vidal-López, Artur Brotons-Rufes, Jason J. Pajski, Sadain Zafar, RaisulAwal Mahmood, MuhammadUsman Khan, Albert Poater, Mohit Chawla, Luigi Cavallo
Amino acid ionic liquids as efficient catalysts for CO2 capture: A combined static and dynamic approach
Results in Surfaces and Interfaces, 2024, 14, 100175-
DOI: 10.1016/j.rsurfi.2023.100175
Keywords: Chemical bonding, Computational chemistry, Non-covalent interactions, Reaction mechanisms, Sustainable Catalysis

Sergio Fernández, Federico Franco, Marta Martínez Belmonte, Sofia Friães, Beatriz Royo, Josep M. Luis, Julio Lloret-Fillol
Decoding the CO₂ Reduction Mechanism of a Highly Active Organometallic Manganese Electrocatalyst: Direct Observation of a Hydride Intermediate and Its Implications
ACS Catal., 2023, 13, 10375-10385
DOI: 10.1021/acscatal.3c01430
Keywords: Computational chemistry, Homogeneous catalysis, Joint Exp-Comp, Organometallics, Sustainable Catalysis

Markus R. Busch, Lukas Drexler, DhaniRam Mahato, Caroline Hiefinger, Sílvia Osuna, Reinhard Sterner
Retracing the Rapid Evolution of an Herbicide-Degrading Enzyme by Protein Engineering
ACS Catal., 2023, 13, 15558-15571
DOI: 10.1021/acscatal.3c04010
Keywords: Biocatalysis, Enzyme design

Jordi Vila, Miquel Solà, Thierry Achard, Stéphane Bellemin-Laponnaz, Anna Pla-Quintana, Anna Roglans
Rh(I) Complexes with Hemilabile Thioether-Functionalized NHC Ligands as Catalysts for [2 + 2 + 2] Cycloaddition of 1,5-Bisallenes and Alkynes
ACS Catal., 2023, [], 3201-3210
DOI: 10.1021/acscatal.2c05790
Keywords: Catalysis, Cycloaddition, Density Functional Theory, Reaction mechanisms