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Predicting Pore-Carrier Solubility and Size-Exclusivity Towards the Rational Design of Type II Porous Liquid Solutions
Porous liquids are a sub-class of porous materials that combine permanent porosity, typically associated with solids, with...
Cu-mediated bipolar-type extended π-conjugated microporous polymers for lithium-ion battery cathode with high energy density and fast-charging capability
Engineering lithium-ion battery (LIB) cathode materials with high energy density and fast-charging capability play a signi...
A Universal Foundation Model for Transfer Learning in Molecular Crystals
The physical and chemical properties of molecular crystals are a combined function of molecular structure and the molecula...
Correction: Uncovering diverse reactivity of NHCs with diazoalkane: C–H activation, CC bond formation, and access to N-heterocyclic methylenehydrazine
Correction for ‘Uncovering diverse reactivity of NHCs with diazoalkane: C–H activation, C [[double bond, length as m-dash]...
Metal-catalyzed Thiomethylation of Chloroarenes and Diverse Aryl Electrophiles
In this study, we report first development of metal catalyzed methylthiolation of chloroarenes and diverse aromatic electr...
Engineering Catalyst-Support Interactions in Cobalt Phthalocyanine for Enhanced Electrocatalytic CO2 Reduction: The Role of Graphene-Skinned Al2O3
Electrocatalytic CO2 reduction (eCO2R) driven by renewable electricities holds great promise to mitigate anthropogenic CO2...
Tuning the Energetics of Carbonyl-Bridged Triarylamines: From Thermally Activated Delayed Fluorescence to Anti-Kasha Dual-Emission and Room Temperature Phosphorus Materials
The first example of tuning the energetics of thermally activated delayed fluorescence (TADF) molecules to access anti-Kas...
Convergent and Divergent Synthesis of Dihydroisoquinoline-1,4-diones Enabled by a Photocatalytic Skeleton-Editing [4+2] Strategy
Dihydroisoquinolinediones, which are ubiquitous nitrogen-containing fused heterocyclic units in natural products, drug mol...
Synthetic RNA Ligands as Activators of Type I Toxin-Antitoxin Systems: A Novel Antimicrobial Strategy Targeting Helicobacter pylori
Targeting RNAs with synthetic small molecules represents a privileged avenue for the discovery of new therapeutic approach...
Flexible phosphonium and sulfonate pair-to-pair self-assembled ionic organic single crystals for iodine capture
In this work, four flexible chain phosphonium-based ionic organic single crystals (IOCs) are firstly facile prepared by pa...
A Mechanochemical [2+2+2] Cycloaddition Facilitated by a Cobalt(II) Catalyst and Piezoelectric Materials
In this study, we present the first general mechanochemical protocol for the catalytic [2+2+2] cycloaddition of alkynes vi...
Unique selective reactivity of the rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles
Studies on the chemistry of highly active rare-earth (RE) metal ambiphilic carbenes face challenges due to the lack of app...
A path to perpetual chemical synthesis via photocatalytic cofactor regeneration
Harnessing the power of the Sun for perpetual chemical synthesis is one of the most sustainable ways to reduce the carbon ...
Exploring Hyperfine Coupling in Molecular Qubits
Molecular qubits represent a promising avenue for advancing quantum sensing and computing technologies, yet significant ch...
Enantioselective Synthesis of 1,2-Disubstituted Thiocyclobutanes via Michael Addition
We report the diastereoselective and enantioselective synthesis of thio-substituted cyclobutanes via a thio-Michael additi...
Radical-mediated proton transfer enables hydroxyl radical formation in charge-delocalized water
The Grotthuss mechanism has long defined our understanding of proton transfer in water, where protons migrate through hydr...
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...
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