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Results: 1968

Masoud Komeijani, Naeimeh Bahri-Laleh, Zohreh Mirjafary, Massimo Christian D’Alterio, Morteza Rouhani, Hossein Sakhaeinia, Amin Hedayati Moghaddam, Seyed Amin Mirmohammadi, Albert Poater
PLA/PMMA Reactive Blending in the Presence of MgO as an Exchange Reaction Catalyst
Polymers, 2025, 17, 845-
DOI: 10.3390/polym17070845
OpenAccess: Link
Keywords: Chemical bonding, Computational chemistry, Organometallics, Predictive Chemistry, Reaction mechanisms

Nabhendu Pal, Jin Xiong, Mehmet Jahja, Sami Mahri, VictorG. Young, Yisong Guo, Marcel Swart, Lawrence Que
A 5,000-fold increase in the HAT reactivity of a nonheme Fe^IV =O complex simply by replacing two pyridines of the pentadentate N4Py ligand with pyrazoles
Proc. Natl. Acad. Sci. U.S.A., 2025, 122, e2414962122
DOI: 10.1073/pnas.2414962122
OpenAccess: –
Keywords: Homogeneous catalysis, Oxidation, Reaction mechanisms, Spin states

Špela Mandl, Bruno Di Geronimo, Santiago Alonso-Gil, Christoph Grininger, Gibu George, Ulrika Ferstl, SereinaAnnik Herzog, Bojan Žagrović, Christoph Nusshold, Tea Pavkov-Keller, Pedro A. Sánchez-Murcia
A new view of missense mutations inα ‐mannosidosis using molecular dynamics conformational ensembles
Protein Science, 2025, 34, e70080
DOI: 10.1002/pro.70080
OpenAccess: Link
Keywords: Biocatalysis, Biomolecules and biomaterials, Enzyme design, Molecular Dynamics interactions

Thomas Kinateder, Lukas Drexler, Cristina Duran, Sílvia Osuna, Reinhard Sterner
A naturally occurring standaloneTrpB enzyme provides insights into allosteric communication within tryptophan synthase
Protein Science, 2025, 34, e70103
DOI: 10.1002/pro.70103
OpenAccess: Link
Keywords: Enzyme design

Miquel Solà, Dariusz W. Szczepanik
Molecular aromaticity: a quantum phenomenon
Pure and Applied Chemistry, 2025, [], ASAP-
DOI: 10.1515/pac-2025-0465
OpenAccess: Link
Keywords: Aromaticity, Chemical bonding, Nanomaterials

Michele Tomasini, Lucia Caporaso, Michal Szostak, Albert Poater
Towards the activity of twisted acyclic amides
RSC Adv., 2025, 15, 8207-8212
DOI: 10.1039/D5RA00229J
OpenAccess: Link
Keywords: Chemical bonding, Computational chemistry, Cross-coupling reactions, Predictive Chemistry, Reaction mechanisms

Roberto Sánchez-Naya, JuanPablo Cavalieri, Jorge Albalad, Alba Cortés-Martínez, Kaiyu Wang, Carles Fuertes-Espinosa, Teodor Parella, Sara Fiori, Esteve Ribas, Aitor Mugarza, Xavi Ribas, Jordi Faraudo, Omar M. Yaghi, Inhar Imaz, Daniel Maspoch
Excision of organic macrocycles from covalent organic frameworks
Science, 2025, 388, 1318-1323
DOI: 10.1126/science.adw4126
OpenAccess: –
Keywords: Nanomaterials, Oxidation, Supramolecular chemistry

Xuzhong Shen, Xiahe Chen, Yihang Xiao, Jesse B. Brown, James G. Zhang, Xinyuan Ji, Jinyan Rui, Marc Garcia-Borrà;s, Yi Rao, Yunfang Yang, Xiongyi Huang
Enantioconvergent benzylic C(sp³ )‒N coupling with a copper-substituted nonheme enzyme
Science, 2025, 389, 741-746
DOI: 10.1126/science.adt5986
OpenAccess: –
Keywords: Biocatalysis, Computational chemistry, Enzyme design

Miquel Solà
In-plane aromatic metallo-annulenes: Bridging annulene and co-ordination chemistry
Science China Chem., 2025, [], []
DOI: 10.1007/s11426-025-2910-4
OpenAccess: –
Keywords: Aromaticity, Chemical bonding, Joint Exp-Comp, Organometallics

Muhammad Ehtisham, Muhammad Saeed-Ul-Hassan, Albert Poater
A comprehensive review of approaches, systems, and materials used in adsorption-based atmospheric water harvesting
Science of The Total Environment, 2025, 958, 177885-
DOI: 10.1016/j.scitotenv.2024.177885
OpenAccess: Link
Keywords: Biomolecules and biomaterials, Nanomaterials, Sustainable Catalysis, Translational research