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Gustav Nestor, Alessandro Ruda, Taigh Anderson, et al. A detailed picture of a protein-carbohydrate hydrogen-bonding network revealed by NMR and MD simulations
Glycobiology
2021
Per E. M. Siegbahn A quantum chemical approach for the mechanisms of redox-active metalloenzymes
RSC Advances
2021
Monireh Pourghasemi Lati, Jonas Ståhle, Michael Meyer, et al. A Study of an 8-Aminoquinoline-Directed C(sp2)–H Arylation Reaction on the Route to Chiral Cyclobutane Keto Acids from Myrtenal
Journal of Organic Chemistry
2021
Man-Bo Li, Jie Yang, Ying Yang, et al. Amino-Supported Palladium Catalyst for Chemo- and Stereoselective Domino Reactions
Angewandte Chemie International Edition
2021
Rong-Zhen Liao, Jing-Xuan Zhang, Zhenyang Lin, et al. Antiferromagnetically coupled [Fe8S9] cluster catalyzed acetylene reduction in a nitrogenase-like enzyme DCCPCh : Insights from QM/MM calculations
Journal of Catalysis
2021
Jèssica Margalef, Joseph S. M. Samec Assessing Methodologies to Synthesize α-Sulfenylated Carbonyl Compounds by Green Chemistry Metrics
ChemSusChem
2021
Denise N. Meyer, Miguel Á. Cortés González, Xingguo Jiang, et al. Base-catalysed F-18-labelling of trifluoromethyl ketones. Application to the synthesis of F-18-labelled neutrophil elastase inhibitors
Chemical Communications
2021
Davide Di Francesco Catalytic valorization of lignocellulose : Direct and sidestream upgrading approaches 2021
Ya Gao, Jumin Lee, Iain Peter Shand Smith, et al. CHARMM-GUI Supports Hydrogen Mass Repartitioning and Different Protonation States of Phosphates in Lipopolysaccharides
Journal of Chemical Information and Modeling
2021
T. Makhado, Biswanath Das, R. J. Kriek, et al. Chemical and electrochemical water oxidation mediated by bis(pyrazol-1-ylmethyl)pyridine-ligated Cu(i) complexes
Sustainable Energy & Fuels
2021
Ferran Planas, Matteo Costantini, Marc Montesinos-Magraner, et al. Combined Experimental and Computational Study of Ruthenium N-Hydroxyphthalimidoyl Carbenes in Alkene Cyclopropanation Reactions
ACS Catalysis
2021
Ferran Planas, Stephanie V. Kohlhepp, Genping Huang, et al. Computational and Experimental Study of Turbo‐Organomagnesium Amide Reagents : Cubane Aggregates as Reactive Intermediates in Pummerer Coupling
Chemistry - A European Journal
2021
Haibo Wu Controlling the Reactivity and Selectivity in Iridium- and Rhodium-Catalyzed Asymmetric Hydrogenation 2021
Davide Di Francesco, Christian Dahlstrand, Joakim Löfstedt, et al. Debottlenecking a Pulp Mill by Producing Biofuels from Black Liquor in Three Steps
ChemSusChem
2021
Jie Liu, Arnar Guđmundsson, Jan-E. Bäckvall Efficient Aerobic Oxidation of Organic Molecules by Multistep Electron Transfer
Angewandte Chemie International Edition
2021
Man-Bo Li, Jan-E. Bäckvall Efficient Heterogeneous Palladium Catalysts in Oxidative Cascade Reactions
Accounts of Chemical Research
2021
Mahdi M. Abu-Omar, Katalin Barta, Gregg T. Beckham, et al. Guidelines for performing lignin-first biorefining
Energy & Environmental Science
2021
Bram B. C. Peters, Jira Jongcharoenkamol, Suppachai Krajangsri, et al. Highly Enantioselective Iridium-Catalyzed Hydrogenation of Conjugated Trisubstituted Enones
Organic Letters
2021
Emanuel Luna, Seonghoon Kim, Ya Gao, et al. Influences of Vibrio cholerae Lipid A Types on LPS Bilayer Properties
Journal of Physical Chemistry B
2021
Ning Yuan, Arnar Gudmundsson, Karl P. J. Gustafson, et al. Investigation of the Deactivation and Reactivation Mechanism of a Heterogeneous Palladium(II) Catalyst in the Cycloisomerization of Acetylenic Acids by In Situ XAS
ACS Catalysis
2021
Erik Weis, Martin A. Hayes, Magnus J. Johansson, et al. Iridium-catalyzed C−H methylation and d3-methylation of benzoic acids with application to late-stage functionalizations
iScience
2021
Daniels Posevins, Aitor Bermejo-López, Jan-E. Bäckvall Iron-Catalyzed Cross-Coupling of Propargyl Ethers with Grignard Reagents for the Synthesis of Functionalized Allenes and Allenols
Angewandte Chemie International Edition
2021
Arnar Guđmundsson, Srimanta Manna, Jan-E. Bäckvall Iron(II)-Catalyzed Aerobic Biomimetic Oxidation of Amines using a Hybrid Hydroquinone/Cobalt Catalyst as Electron Transfer Mediator
Angewandte Chemie International Edition
2021
Srimanta Manna, Wei-Jun Kong, Jan-E. Bäckvall Iron(II)-Catalyzed Aerobic Biomimetic Oxidation of N-Heterocycles
Chemistry - A European Journal
2021
Haibo Wu, Cristiana Margarita, Jira Jongcharoenkamol, et al. Kinetic resolution of racemic allylic alcohols via iridium-catalyzed asymmetric hydrogenation : scope, synthetic applications and insight into the origin of selectivity
Chemical Science
2021
Lucas Guillemard, Nikolaos Kaplaneris, Lutz Ackermann, et al. Late-stage C-H functionalization offers new opportunities in drug discovery
Nature Reviews Chemistry
2021
Stefano Santoro, Fahmi Himo Mechanism of the Kinugasa Reaction Revisited
Journal of Organic Chemistry
2021
Gerhard Hofer, Xiang Sheng, Simone Braeuer, et al. Metal Ion Promiscuity and Structure of 2,3-Dihydroxybenzoic Acid Decarboxylase of Aspergillus oryzae
ChemBioChem (Print)
2021
Martin Pauze Multicomponent Catalytic Reactions : Theoretical and Experimental Studies 2021
Kenji Kopf New methods for the synthesis of N-heteroaromatics and imines 2021
Rajdip Chowdhury, Abraham Mendoza N-Hydroxyphthalimidyl diazoacetate (NHPI-DA) : a modular methylene linchpin for the C-H alkylation of indoles dagger
Chemical Communications
2021
Marta Rachwalak, Joanna Romanowska, Michal Sobkowski, et al. Nucleoside Di- and Triphosphates as a New Generation of Anti-HIV Pronucleotides. Chemical and Biological Aspects
Applied Sciences
2021
Davide Di Francesco, Kiran Reddy Baddigam, Suthawan Muangmeesri, et al. OrganoSoxhlet : a circular fractionation to produce pulp for textiles 2021
Ferran Planas Quantum Chemical Modelling of Enzymatic and Organometallic Reactions 2021
Oscar Pàmies, Jèssica Margalef, Santiago Cañellas, et al. Recent Advances in Enantioselective Pd-Catalyzed Allylic Substitution : From Design to Applications
Chemical Reviews
2021
Hua-Wei Guan, Yu-Jie Zhu, Joannes Peters, et al. Recognition of hydrophilic molecules in deep cavitand hosts with water-mediated hydrogen bonds
Chemical Communications
2021
Jun Sun, Sreenu Jennepalli, Matthew Lee, et al. Removal of per- and polyfluoroalkyl substances (PFAS) from water by ceric(iv) ammonium nitrate
RSC Advances
2021
Duangkamon Jiraroj, Orhathai Jirarattanapochai, Wipark Anutrasakda, et al. Selective decarboxylation of biobased fatty acids using a Ni-FSM-16 catalyst
Applied Catalysis B: Environmental
2021
Haibo Wu, Hao Su, Erik J. Schulze, et al. Site- and Enantioselective Iridium-Catalyzed Desymmetric Mono-Hydrogenation of 1,4-Dienes
Angewandte Chemie International Edition
2021
Chuqiao Dong, Yeol Kyo Choi, Jumin Lee, et al. Structure, Dynamics, and Interactions of GPI-Anchored Human Glypican-1 with Heparan Sulfates in a Membrane
Glycobiology
2021
Benjamin Wiseman, Ram Gopal Nitharwal, Göran Widmalm, et al. Structure of a full-length bacterial polysaccharide co-polymerase
Nature Communications
2021
Fawad Ahmad, Muneera D. F. Alkahtani, Muhammad Babar Taj, et al. Synthesis of New Naphthyl Aceto Hydrazone-Based Metal Complexes : Micellar Interactions, DNA Binding, Antimicrobial, and Cancer Inhibition Studies
Molecules
2021
Sybrand Jonker Synthesis of Organoboronic Acids and Applications in Asymmetric Organocatalysis 2021
Denise N. Meyer Synthesis of Organofluorine Compounds and Allenylboronic Acids - Applications Including Fluorine-18 Labelling 2021
Wojciech Plazinski, Mattias U. Roslund, Elin Säwén, et al. Tautomers of N-acetyl-d-allosamine : an NMR and computational chemistry study
Organic and biomolecular chemistry
2021
Andrew W. Bartling, Michael L. Stone, Rebecca J. Hanes, et al. Techno-economic analysis and life cycle assessment of a biorefinery utilizing reductive catalytic fractionation
Energy & Environmental Science
2021
Margareta R. A. Blomberg The importance of exact exchange-A methodological investigation of NO reduction in heme-copper oxidases
Journal of Chemical Physics
2021
Margareta R. A. Blomberg The Redox-Active Tyrosine Is Essential for Proton Pumping in Cytochrome c Oxidase
Frontiers in Chemistry
2021
Alexander Orebom, Davide Di Francesco, Patrick Shakari, et al. Thermal and Mechanical Properties of Esterified Lignin in Various Polymer Blends
Molecules
2021
Gabriella Kervefors, Leonard Kersting, Berit Olofsson Transition Metal-Free N-Arylation of Amino Acid Esters with Diaryliodonium Salts
Chemistry - A European Journal
2021
Gabriella Kervefors Transition Metal-Free O-, N- and S-Arylations with Diaryliodonium Salts 2021
Emanuele Azzi, Giovanni Ghigo, Stefano Parisotto, et al. Visible Light Mediated Photocatalytic N‑Radical Cascade Reactivity of γ,δ-Unsaturated N‑Arylsulfonylhydrazones : A General Approach to Structurally Diverse Tetrahydropyridazines
Journal of Organic Chemistry
2021
Fabiola E. Medina, Mario Prejanò Water Molecules Allow the Intramolecular Activation of the Thiamine Di-Phosphate Cofactor in Human Transketolase : Mechanistic Insights into a Famous Proposal
ACS Catalysis
2021

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