Themed collection 15th Anniversary: Chemical Science Leading Investigators collection

This review discusses metal phthalocyanine-based single-atom catalysts for electrochemical energy conversions, emphasizing reaction mechanisms and computational methods for mechanism exploration and catalyst screening.

This review highlights recent advances in organic mechanoluminescent nanoparticles for ultrasound-triggered neuromodulation, bioimaging, and theranostics, showcasing their potential for biocompatible, remote, control in biomedical applications.

Metal–organic framework (MOF) composites have demonstrated great potential for photocatalysis. This review systematically summarizes the classifications, synergistic mechanisms, applications and prospects of MOF composites in photocatalysis.

The two major synthetic pathways of 2D MOF nanosheets are reviewed, including the top-down method and bottom-up method, and the applications within the realm of electrocatalysis are discussed.

A copper(I)-catalyzed, highly enantioselective, and diastereoselective borylative cyclization of prochiral cyclic 1,3-dione-tethered 1,3-enynes is reported.

Heterobimetallic compounds offer unique opportunities for activating substrates through cooperative interactions between two distinct metal centers, illustrated here on molybdenym–iridium species promoting a cascade of bond breaking/forming events.

Photocages are photosensitive molecules that can release specific compounds, usually of biological relevance. We found that these compounds are highly phototoxic and may be less innocent than previously thought.

We provide a clear understanding of the strain effect in alkaline HOR using precisely controlled model surfaces. The tensile strained Ru surfaces exhibit a 2.8-fold enhancement in mass activity for the HOR compared to the unstrained Ru surfaces.

A highly stereoselective photocatalytic method has been developed to access polysubstituted housanes and spiro-oxa-housanes featuring up to three contiguous all-carbon quaternary centers.

Two organic small molecules were designed and synthesized to serve as memristive artificial nociceptor in memristors.

Guidelines for efficient blue-to-UV upconversion with the lanthanoid ion Pr³⁺ are established and experimentally tested. It turns out that Cs₂NaYCl₆:Pr³⁺ is an interesting candidate for efficient upconversion by this proposed scheme.

Notable photochromic photoluminescence and various photomechanical responses are driven by the cascade photoinduced [2 + 2] cycloaddition of LH⁺ and H₂O sorption in zero-dimensional (LH)₂InCl₅.

This work reports dual additives for high-voltage Li/LiCoO₂ cells, which could simultaneously stabilize the electrode–electrolyte interfaces on both cathode and anodes.

We developed a photocatalytic [2π + 2σ] cycloaddition to access 2-oxabicyclo[2.1.1]hexanes promoted by cobalt for the first time. In vitro assessments including physicochemical and pharmacological evaluations are performed.

By combining solubility prediction software and a size-exclusivity prediction algorithm with a down-selection procedure and experimental validation steps, a computational workflow has been developed for the discovery of porous liquid solutions.

Mass spectrometry and computational chemistry show that, in iridium-catalysed hydrogen isotope exchange, some directing groups lead to doubly-deuterated products after one binding event, while others undergo dissociation and subsequent re-binding.

Stimuli-responsive anion transporters derived from hydroxyl-functionalised Hamilton-receptors are reported. Transport activity may be switched between on and off states, using photoactivation and competitive inhibition through ligand binding.

The reaction of phosphine (tmg)₃P with C₆₀ leads to isolable zwitterionic phosphonium fullerides with reversible P–C dative bonds and increased negative charge on the C₆₀ core, enabling further electrophilic functionalization.

Adding small amounts of CO₂ or H₂O to methane pyrolysis boosts hydrogen and carbon yields via cyclic catalyst regeneration, enabling efficient low-carbon hydrogen and crystalline carbon production.

The vertical vdW heterostructures innovatively fabricated by a self-assembly synthesis strategy inducing interlayer charge transfer and enhancing the OER catalytic performance, which offers a novel approach for vdW heterojunction catalysts.

A highly nucleophilic aluminium(I) anion is reported, showing exceptional reactivity and selectivity towards the C–H activation of arenes.

Comparison of the optical properties of Co₃O₄ and ZnCo₂O₄ elucidates fundamental differences in mechanisms of photoinduced polaron formation based on the presence or absence of substitutional lattice defects arising from cation inversion.

Low-entropy water near threonine on ice-nucleating proteins promotes ice formation at moderate supercooling, while flexible threonine on antifreeze proteins keeps water bulk-like, preventing ice nucleation.

An iterative exponential growth (IEG) strategy relying on orthogonally protected monomers is developed for the synthesis of peptoids. This is a scalable technique that allows for precise control over sequence, chain length, and stereoconfiguration.

This study successfully synthesised flavylium-containing polymers via RAFT polymerisation and post-modification, demonstrating tuneable multi-stimuli-responsiveness to pH, light, temperature and solvent.

Efficient identification of a molecular adsorbent for CO₂/CH₄ separation using a computation-ready experimental database of macrocycles and cages.

We present a novel luminescent europium(III) probe for highly selective ADP detection with minimal ATP interference. It enables unprecedented ADP sensing in physiologically relevant ranges, facilitating in vitro and cellular imaging applications.

This study explores a Cu–Mg–Ti co-substitution strategy, guided by periodic law, to enhance the stability and performance of O3-NaNi_0.5Mn_0.5O₂, resulting in improved moisture resistance, high-temperature stability, and high-voltage stability.

This article presents the use of dynamic covalent chemistry in liposomal membranes to activate and modulate the transmembrane transport of chloride by addition of different azine-containing compounds.

In diluted solution-based assemblies, the derivatives of perfluoroarenes perform as efficient molecular barriers to perylene building units, lighting up luminescence.