Themed collection 2025 Chemical Science HOT Article Collection

Gaining insights into the origins and roles of the field-effect will facilitate better applications in energy and environmental catalysis.

In situ Raman spectroscopy study of the CO₂ electroreduction reaction.

The energy gaps between “forbidden” and “allowed” mechanisms of routine electrocyclic reactions can be negligibly small.

Kinetic and mechanistic aspects of the intercalation step in non-traditional zeolite synthesis are studied using simultaneous liquid- and solid-state in situ NMR spectroscopy of isotopically enriched materials.

Accelerating the phase transition from layered to spinel by directional coating to deeply probe the relationship between capacity decay, voltage decay, and the phase transition.

We discovered a fully synthetic non-degradative molecular glue for the ternary complex between FKBP12 and the FRB domain of mTOR by screening a library of FKBP12 ligands. Solving the ternary complex structure allowed significant potency enhancement.

The mechanisms of electrochemical/chemical oxygen reduction catalyzed by an iron porphyrin were studied by in situ EC-MS/CR-MS assisted by electrochemical characterization and stopped-flow UV-vis spectroscopy.

High-performance donor–acceptor–donor′ type ultraviolet emitters have been achieved through an intramolecular locking strategy, realizing a high external quantum efficiency of 7.95% at 1000 cd m⁻² and color coordinates of (0.167, 0.025).

For the first time, the aromatization-driven alternating copolymerization of p-QM with isothiocyanates is explored under mild conditions.

The fabrication of environmentally ion-dissociable high-performance supramolecular polyelectrolyte plastics with a synergistic multivalent and hydrophobic counterion strategy.

Selective crystallization of a novel thorium metal–organic framework (NU-2500) enables the efficient separation of Th(IV) from initial mixtures with rare earth(III) ions.

We present the discovery that the small, chlorinated polyketide natural product cyclohelminthiol II (CHM-II) acts as a new type of cysteine/thiol-targeting covalent-reactive group (CRG) incorporating both reversible and irreversible reactivity.

Intramolecular charge transfer assisted multi-resonance thermally activated delayed fluorescence emitters are constructed by grafting donor–acceptor-type moieties as pendant on a multi-resonance core for sensitizer-free solution-processed OLEDs.

Virtual agents and cloud computing have enabled chemists to easily access automated simulations of explicitly solvated molecules.

Group 13 aminoxy complexes, (L)E(TEMPO)₃ (TEMPO = 2,2,6,6-tetramethylpiperidine 1-oxyl; L = THF (tetrahydrofuran) or Py (pyridine); E = Al, Ga, In), display ambiphilic reactivity with H₂ and function as synthons for the preparation of materials.

Full-color CPL composite films prepared using helical polymers, fluorescein and substrates have excellent mechanical and processing properties. They exhibit matrix universality, low cost, and multi-stimulus responsiveness to UV, heat, and acid/base.

Robust protein–ligand interaction modeling through integrating physical laws and geometric knowledge for absolute binding free energy calculation.

Poly(vinylidene fluoride) (PVDF)-based solid-state electrolytes (SSEs) have been considered promising candidates for advanced Li metal batteries due to their adequate mechanical strength and acceptable thermal stability.

A one-pot palladium-catalysed arylation process has been used to expedite the synthesis of biaryl α-amino acids, leading to the discovery of an environment-sensitive fluorescent probe that was used to monitor the activity of a serine protease.

Single-atom catalysts (SACs) via phenolic-mediated interfacial anchoring (PIA) with single Fe atoms dispersed on the surface of N/P-doped carbon supports, exhibiting exceptional biocatalytic properties.

Life's homochirality may have emerged from mutual antagonism. As a synthetic model, chiral molecular clips form mirror-image dimers with a record-high 180-fold selectivity, effectively amplifying and transmitting asymmetry.

PPW width is dictated by different probabilities of ion-water finger complex encountering with water molecules in the organic phase.

We disclose a method for silver-enabled formal [4π + 2σ] cycloaddition reactions between bicyclobutanes and nitrile imines (generated from hydrazonyl chlorides) to furnish a diverse array of 2,3-diazo-BCHepes.

Methane is facilely activated by gas phase tantalum cations via a spin-forbidden process leading to statistical product energy disposal.

The influence of the second metal atom in neutral σ,σ bimetallic gold(I) acetylides is studied in detail in the context of the migratory insertion of a number of substrates, where the reaction conditions depend dramatically on the nuclearity.

Novel BTM luminescent radicals facilitate the luminescence transition from common β-type to rare α-type within a D–A˙ framework, enhancing the potential for developing new luminescent systems in the field of organic materials science.

Polaritons lose delocalization in energetically disordered systems. A large Rabi splitting about 3–4 times of the inhomogeneous linewidths is required to restore delocalization. This study can guide future rational experiment designs.

A multi-annulation sequence for functionalized nanographenes was established. Further derivatization enables facile access to novel functionalized nanographenes and polycyclic aromatic hydrocarbons.

Precise endo-functionalization tailors the host cavity to fit the shape and charge distribution of target guest molecules, offering a novel bottom-up strategy for constructing customized molecular receptors.

Two distinct reaction pathways are observed on metal surfaces to preserve the dimer aromaticity.

Temporal network analysis reveal when feedback interactions emerge in an out-of-equilibrium reaction network. This method could be broadly applied to provide data-driven analysis of experimentally-designed chemical reaction networks.

Clustering of the spectra of CO adsorbed on high-entropy alloys AgAuCuPdPt, combined with the catalytic properties of each cluster, identified a cluster of high-entropy alloys with high selectivity for C₂₊ products.

This work introduces an ethanol-assisted synthesis strategy that facilitates the incorporation of a new hexa-coordinated Ti species into TS-1 zeolite that is highly active in the propylene epoxidation reaction.

A curvature modulation method without changing the specific surface area was developed, and the strength of the electric field around the electrode surface significantly affects the ion trapping and diffusion rates during the CDI process.

Introducing low-binding-energy and moderate-dielectric-constant solvents (FEA/FEC) into a weak solvation electrolyte results in a high t_Li⁺, low E_a, and stable LiF-rich SEI, enhancing the fast-charging capability and cycling lifespan of Si anodes.

This work reports an efficient strategy to tailor the stacking mode in 2D vinylene-linked covalent triazine frameworks by regulating the base-catalyst with different alkali-metal ions.

The reaction chemistry of an unprecedented ‘inorganic cumulene’ – featuring a five-atom BNBNB chain – towards CO (and related) multiple bonds is disclosed.

Low steric hindrance, low error rate: conducting synthesis on a smooth surface made direct synthesis of 1000-nucleotide oligos a reality.

Inherently chiral cluster aggregates were synthesized employing the chiral surfactant (+/−)-N-dodecyl-N-methylephedrinium bromide as a chiral dopant, yielding the mirror-image Cotton effect and thermoresponsive chiroptical properties.

High-level quantum chemical calculations for closely stacked π-dimers of antiaromatic molecules have revealed that the appearance of the double-triplet [¹(T₁T₁)] character is critical to connecting the stacked-ring aromaticity with Baird's rule.