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Understanding the initial events of the oxidative damage and protection mechanisms of the AA9 lytic polysaccharide monooxygenase family
Lytic polysaccharide monooxygenase (LPMO) is a new class of oxidoreductases that boosts polysaccharide degradation employi...
Water Co-catalysis in Aerobic Olefin Epoxidation Mediated by Ruthenium Oxo Complexes
We report the development of a versatile Ru-porphyrin catalyst system which performs the aerobic epoxidation of aromatic a...
Polarization of macrophages to an anti-cancer phenotype through in situ uncaging of a TLR 7/8 agonist using bioorthogonal nanozymes
Macrophages are plastic cells of the immune system that can be broadly classified as having pro-inflammatory (M1-like) or ...
Evidencing an elusive conical intersection in the dissociative photoionization of methyl iodide
The valence-shell dissociative photoionization of methyl iodide (CH3I) is studied using double imaging photoelectron photo...
Synthesis and Reactivity of N-Heterocyclic Carbene (NHC)-Supported Heavier Nitrile Ylides
The synthesis and isolation of stable heavier analogues of nitrile ylide as NHC (N-heterocyclic carbene) adducts of phosph...
Accessing Metal-Specific Orbital Interactions in C-H Activation with Resonant Inelastic X-ray Scattering
Photochemically prepared transition-metal complexes are known to be effective at cleaving the strong C-H bonds of organic ...
The solubility product controls the rate of calcite dissolution in pure water and seawater
Quantification of calcite dissolution underpins climate and oceanographic modelling. We report the factors controlling the...
Breaking the trade-off between capacity and stability in vanadium-based zinc-ion batteries
Water in electrolytes is a double-edged sword in zinc-ion batteries (ZIBs). While it allows for proton insertion in the ca...
Water-stable metal-organic frameworks (MOFs): rational construction and carbon dioxide capture
Metal-organic frameworks (MOFs) are considered to be a promising porous material due to their excellent porosity and chemi...
Machine learning from quantum chemistry to predict experimental solvent effects on reaction rates
Fast and accurate prediction of solvent effects on reaction rates are crucial for kinetic modeling, chemical process desig...
Probing the Functional Hotspots Inside Protein Hydrophobic Pockets by In-Situ Photochemical Trifluoromethylation and Mass Spectrometry
Due to the complex high-order structures and interactions of proteins within aqueous solution, majority of chemical functi...
Electrochemical Cascade Migratory versus ortho-Cyclization of 2-Alkynylbenzenesulfonamides
Efficient control over several possible reaction pathways of free radicals is the chemical basis of their highly selective...
Improving the gas sorption capacity in lantern-type metal-organic polyhedra by a scrambled cage method.
The synthesis of multivariate metal-organic frameworks (MOFs) is a well-known method for increasing the complexity of poro...
Artificial Design of Organic Emitters via a Genetic Algorithm Enhanced by a Deep Neural Network
The design of molecules requires multi-objective optimizations in high-dimensional chemical space with often conflicting t...
The pursuit of accurate predictive models of the bioactivity of small molecules
Property prediction is a key interest in chemistry. For several decades there has been a continued and incremental develop...
High-throughput drug target discovery by fully automated proteomics sample preparation platform
With the increased demand of large-cohort proteomic analysis, fast and reproducible sample preparation has become a critic...
Identifying the Active Sites and Intermediates on Copper Surfaces for Electrochemical Nitrate Reduction to Ammonia
Copper (Cu) is a widely used catalyst for nitrate reduction reaction (NO3RR), but its susceptibility to surface oxidation ...
An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C6F5)3
Herein we report the B(C6F5)3-catalysed nitro-Mannich reaction between nitrones and silyl nitronates, affording silyl-prot...
Determining the Key Vibrations for Spin Relaxation in Ruffled Cu(II) Porphyrins via Resonance Raman Spectroscopy
Pinpointing vibrational mode contributions to electron spin relaxation (T1) constitutes a key goal for developing molecula...
A strategy to disentangle direct and indirect effects on (de)phosphorylation by chemical modulators of the phosphatase PP1 in complex cellular contexts
Chemical activators and inhibitors are useful probes to identify substrates and downstream effects of enzymes; however, du...
The allosteric mechanism of mTOR activation can inform bitopic inhibitor optimization
mTOR serine/threonine kinase is a cornerstone in the PI3K/AKT/mTOR pathway. Yet, the detailed mechanism of activation of i...
Uracil-Cu(I) Catalyst: Allylation of Cyclopropanols with Morita-Baylis-Hillman Alcohols under Water-tolerant Conditions
Inspired by the high affinity of copper with DNA and RNA, a uracil-copper catalytic system was developed to promote ring-o...
Structure and Bonding in Rhodium Coordination Compounds: A 103Rh Solid-State NMR and Relativistic DFT Study
This study demonstrates the application of 103Rh solid-state NMR (SSNMR) spectroscopy to inorganic and organometallic coor...
Design of a bipolar organic small-molecule cathode with mesoporous nanospheres structure for long lifespan and high-rate Li-storage performance
Organic small-molecule compounds have become promising cathode materials for high-performance lithium-ion batteries (LIBs)...
Designing solvent systems using self-evolving solubility databases and graph neural networks
Designing solvent systems is key to achieving the facile synthesis and separation of desired products from chemical proces...
Ligand Field Design Enables Quantum Manipulation of Spins in Ni2+ Complexes
Creating the next generation of quantum systems requires control and tunability, which are key features of molecules. One ...
Thia[n]helicenes with Long Persistent Phosphorescence
Helicenes with persistent luminescence have received relatively little attention, despite their demonstrated highly effici...
Infrared Photoinduced Electrochemiluminescence Microscopy of Single Cells
Electrochemiluminescence (ECL) is evolving rapidly from a purely analytical technique into a powerful microscopy. Herein, ...
Predicting Synthesis Recipes of Inorganic Crystal Materials using Elementwise Template Formulation
While the advances in computational techniques accelerated the virtual materials design, the actual synthesis of predicted...
Precise activation of C–C bonds for plastics recycling and upcycling
The rapid accumulation of plastic waste has led to a severe environmental crisis and a noticeable imbalance between manufa...
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