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Remote α-and β-C(sp 3 )-H Alkenylation of Amines via Visible-Light Supported Paired Electrolysis
A general method for photoelectrochemical site-selective α-and β-C(sp 3 )-H alkenylation of amines with vinyl bromides has...
Quantum-Classical Hybrid Computation of Electron Transfer in a Cryptochrome Protein via VQE-PDFT and Multiscale Modeling
Accurate calculation of strongly correlated electronic systems requires proper treatment of both static and dynamic correl...
Crystallographic visualization of C3-hydrocarbon-induced structural transformation and guest encapsulation within a flexible coordination network
Flexible coordination polymers that can self-adjust, via closed (nonporous) to open (porous) switching, to match the size/...
Conformational Switching Modulates Excited-State Pathways in a Cofacial Perylene Dimer
Controlling excited-state pathways in supramolecular chromophore assemblies is key to designing next-generation optoelectr...
Gradients not needed: ML-driven propagation of nonadiabatic molecular dynamics without reference gradients
The recent development of machine learning (ML) methods for quantum chemistry has tremendously boosted the efficiency of m...
Toward Functional and Structurally Complex Frank–Kasper Phases via Creating Concavities on Supramolecular Micelles
In supramolecular chemistry, higher structural complexity enables emergent functions in ordered soft matter. To construct ...
Superstructure-induced enhancement of solid-state triphenylacrylonitrile photochromism via a macrocycle-mediated blocking strategy
Developing materials with precisely tunable photochromic properties is crucial for innovative applications, and this requi...
Luminescent core-isolated solvent-free liquids as a soft material platform for optical gas sensing
Solvent-free functional molecular liquids have attracted great interest as a new class of stimuli-responsive soft material...
Deciphering Functional Differentiation of Elements in High-Entropy Spinel Oxides as Ultralong-Life Anode in Lithium-Ion Batteries
The rational design of high-entropy materials for electrochemical energy storage is hindered by an insufficient understand...
Correction: Chemically-informed active learning enables data-efficient multi-objective optimization of self-healing polyurethanes
Correction for ‘Chemically-informed active learning enables data-efficient multi-objective optimization of self-healing po...
Planar Hexacoordinate Chlorine
Cl©Zn6O6– is identified as a genuine global minimum, which contains a planar hexacoordinate chlorine atom, extending ...
Electrostatic Decatalysis through Coulombic Screening
We demonstrate electrostatic decatalysis, where long-range Coulomb interactions selectively screen parasitic chemistry, le...
B←N Lewis pair fusion of [6]helicene: one way to integrate circularly polarized luminescence with two-photon absorption
It is very challenging to integrate circularly polarized luminescence (CPL) and two-photon absorption (TPA) in a single or...
Atomic-scale redox-potential-mediated engineering of 0D/2D Cu–Cu2O/MOx(OH)y heterojunctions for efficient nitrate electroreduction to ammonia
The precise construction of zero-dimensional/two-dimensional (0D/2D) heterojunctions is often hindered by interfacial latt...
Undirected Ruthenium-Catalyzed C−H Activations Using Arylsulfonium Salts: Direct Arylations without Ruthenacycle Intermediates by Computation and Data Science
Ruthenium-catalyzed C−H activations have surfaced as a transformative platform for molecular sciences. Despite of major pr...
Heterogeneous photocatalytic C4 remote fluorosulfonamidation of pyridines
N-Fluorosulfamoyl pyridinium salts have been ingeniously developed as redox-active precursors for generating fluorosulfamo...
Neutral Anion-Detecting Organic Cages based on Anion-π Interactions
A series of neutral tetrahedral molecular cages were self-assembled in relatively high yields by condensing a triamino lin...
Engineering antisense oligonucleotides for targeted mRNA degradation through lysosomal trafficking
Antisense oligonucleotides (ASOs) can modulate gene expression at the mRNA level, providing the ability to tackle conventi...
Multi-STEM MePCR: a bisulfite-free, multiplex, high-sensitive and high-specific assay to measure DNA methylation
Aberrant CpG island methylation serves as a pivotal biomarker for cancer diagnostics, with accuracy substantially enhanced...
Enhanced Recyclability of Methacrylic Resins by Copolymerization or Pendant Modification Using Trityl Esters
The conversion of pendant groups into poly(methyl methacrylate) (PMMA) to triphenylmethyl (trityl) esters facilitates ther...
Surface Inclusion and Dynamics of Cucurbit[7]uril-Based Supramolecular Complexes
A supramolecular complex acting as a molecular rotor was assembled from cucurbit[7]uril and a rigid, rod-shaped molecular ...
Molecular Machine Learning Approach to Enantioselective C–H Bond Activation Reactions: From Generative AI to Experimental Validation
Molecular machine learning (ML) has gained considerable attention in recent years. Developing ML algorithms for chemical r...
Molecular Engineering of Bis(triphenylamine)-Modified Fluorene Luminophore for Immensely Enriching Anisotropic Force-Triggered High-Contrast Tricolor Fluorescent Molecular Switches Library
The preparation of anisotropic mechanical force-triggering high-contrast tricolor fluorescent solid switches is very signi...
2D Spatial Structure Favored Tandem Catalysis Boosted Methane Direct Transformation to Methanol over Cu-FER
Direct transformation of methane into methanol (DMTM) remains a significant challenge of C1 chemistry. Herein, we investig...
Dual-engine-driven synthesis of unsaturated esters over channel-expanding Cu-Cs catalysts
This study presents a one-step catalytic synthesis of unsaturated esters (methyl acrylate, MA; methyl methacrylate, MMA) f...
Correction: Hydroxy-directed iridium-catalyzed enantioselective formal β-C(sp2)–H allylic alkylation of α,β-unsaturated carbonyls
Correction for ‘Hydroxy-directed iridium-catalyzed enantioselective formal β-C(sp2)–H allylic alkylation of α,β-unsaturate...
Topological Variety and Self-Sorting in Homo- and Heteroleptic PdnL2n Metallo-Supramolecular Assemblies
A plethora of nanoscale PdnL2n-type architectures has been synthesized through the coordination-driven self-assembly of Pd...
Toward High-Selectivity CO2 Photoelectroreduction: Mechanistic Foundations, Recent Advances and Challenges
Photoelectrochemical carbon dioxide reduction reaction (PEC CO2RR) is a promising strategy for converting CO2 into high-va...
Correction: Collective motions in the primary coordination sphere: a critical functional framework for catalytic activity of the oxygen-evolving complex of photosystem II
Correction for ‘Collective motions in the primary coordination sphere: a critical functional framework for catalytic activ...
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...
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