Themed collection 2025 Chemical Science Perspective & Review Collection

Some recollections of how H-bonding and other resonance-type phenomena came to be described by Natural Resonance Theory (NRT).

This perspective highlights the strategies used in the design of photoelectrodes and addresses their effects on activity, selectivity, and stability in photoelectrochemical organic valorisation toward a circular economy.

This perspective summarizes recent advances in α-peptoid polymers from synthesis to antimicrobial applications, and discusses current challenges and future directions in the development of antimicrobial poly(α-peptoid)s.

This perspective focuses on GOR-integrated hybrid dual-electrolyte systems, bridging fundamental GOR science essential for system design with their implementation in pH-gradient-based hybrid dual-electrolyte systems.

Per- and polyfluoroalkyl substances (PFAS) are highly persistent synthetic chemicals that pose severe environmental and health risks, prompting increasingly stringent regulations.

Porous materials have promising characteristics, including tuneable chemical and optical properties, which can be further expanded by their metalation. Yet, structural mapping of metalated covalent organic frameworks is a key challenge to overcome.

The wave function remains central to understanding chemical bonding, with orbitals allowing to analyse various interactions most conveniently, as exemplified for molecular solids using the LOBSTER package extracting them from plane-wave calculations.

This perspective details contemporary approaches used to prepare nucleoside analogues, and opportunities to integrate aspects of chemical synthesis and biocatalysis to access novel nucleoside chemical space.

Coupling the unique powers of photocatalysis and biocatalysis through cofactor-shuttling emerges as a viable and sustainable route for perpetual chemical synthesis.

This perspective introduces the synthesis strategy and structural characteristics of atomically precise Au-based bimetallic nanoclusters and discusses their synergistic catalysis in energy-related small-molecule conversion.

This perspective reviews current approaches to detect G-quadruplex structures in living cells – ranging from dynamic tracking (fluorescence imaging) to structural analysis (NMR spectroscopy) – and outlines future directions for enhanced biological applications.

This perspective examines site-proximity and intermediate transport effects in tandem CO₂ hydrogenation, outlines strategies to boost CH₃OH selectivity, modulate rates and hydrocarbon pools, and provides a roadmap for next-generation catalyst design.

This Perspective assimilates developments in sulfonyl exchange chemical biology that have driven exciting advances in drug discovery and fundamental research over the last decade.

This perspective covers recent advances in scanning electrochemical microscopy operation modes, i.e. the surface interrogation mode and new approach curve principles, as well as the application of these techniques in new electrocatalytic scenarios.

This perspective rethinks boron's role in intramolecular charge transfer (ICT) within tri- and tetra-coordinate organoboron compounds by covering their molecular design, CT mechanisms, structure–activity relationships, and development prospects.

The objective of this perspective is to review the high-interest field of wearable polymer-based sensors—from synthesis to use and detection mechanisms—with a focus on their transient nature, potential for reuse, and ultimate fate.

This perspective summarized emerging chemical biology strategies to interrogate cysteine-mediated redox signaling in a site-specific fashion.

Finding a good match between sample, experiment and data analysis approach is challenging in halide perovskites. Solutions are presented in this perspective to facilitate this task for a wide range of material properties.

The Grignard reaction remained unexplained for more than a century. Today, combining physics-based with machine-learning protocols, it is possible to study and understand the complex solution chemistry of main-group organometallic compounds.

Enzymatic recycling of plastic waste is attracting considerable attention as a novel strategy to advance a circular plastic economy. While currently limited to polyesters, achieving economically viable biocatalytic processes remains a key challenge.

Glutathione's role in synthesizing functional metal nanomaterials with unique optical properties and nanobiomedical applications.

Developing and benchmarking new, efficient catalysts for the electrochemical CO₂ reduction reaction is paramount for its application in the global transition toward non-fossil carbon feedstocks and energy sources.

This Perspective identifies critical materials for Power-to-X electrolyzers and highlights how to integrate environmental and social life cycle assessments with early technology development to assess the impacts of disruptive technologies.

We introduce the current challenges, improvement strategies, and future prospects of lead-free solar cells using silver bismuth halide, which is expected to be a promising candidate for high-efficiency lead-free solar cells.

The interaction of light with polymers can be positive, where light enhances polymerization or performance, but it can also be negative towards the targeted properties. Positive and negative interactions between polymers and light are highlighted.

Polyphenol-functionalized nanoarchitectures (cytoPNAs) provide a modular and cell independent strategy to create biohybrids for cell engineering, with improved production for biomanufacturing and enhanced efficacy for cell-based therapies.

A description and general guidelines of how strategies for synthesis of natural product-inspired and -derived compound libraries can be combined for a specific project goal.

This perspective critiques advancements in integrated CO₂ capture and electrochemical conversion, contrasting emerging methods like eRCC via amine or (bi)carbonate pathways and direct ACC with traditional sequential capture and conversion strategies.

25 Years after the discovery of the most influential NHC ligand, we revisit and highlight studies involving IPr that have shaped the field of NHC-transition metal catalysis.

This perspective covers the 99 years of work towards the isolation of a cyclopentadienyl cation, from observation of fleeting compounds to the 2024 X-ray crystal structure of a room temperature stable Cp⁺ cation.

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

The development of transition metal-catalyzed [(2+2)+1] and [(2+2)+2] carbocyclization reactions of 1,6-enynes bearing 1,1-disubstituted olefins is discussed, highlighting both the challenges and opportunities for expanding this powerful transformation.

Laser-induced graphene (LIG) has gained significant attention, with over 170 publications in 2023 alone.

Cryo-electron microscopy plays a pivotal role in materials science by revealing nanoscale structures. This Perspective discusses innovations in experimental design that link structural insights to mechanistic understanding in materials science.

This perspective reviews both materials and molecular data resources and establishes seven guiding principles termed QUANTUM to advance molecular databases toward robust, unified platforms for the research community.

To achieve chemical accuracy methods for dissociative chemisorption on metals must use adjustable hybrid density functionals fitted to barriers computed with first principles methods, and dynamics methods accurately describing non-adiabatic effects.

In this perspective we demonstrate the suitability of semiclassical initial value representation methods to investigate the vibrational spectroscopy and kinetics of solvated and condensed phase molecular systems.

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.

This review systematically summarizes the recent advancements in NO-activated organic molecular probes for near-infrared (NIR) fluorescence, self-luminescence, and photoacoustic (PA) imaging.

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 mainly discusses the design and optimization strategies of electron donor–acceptor type covalent organic frameworks and their applications in photocatalysis, energy storage and photothermal therapy.

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.

This review systematically explores strategies to enhance product selectivity in PEC CO₂RR, and further analyzes recent advances in C₁/C₂ product synthesis, challenges in selectivity control, and future directions.

This review provides an overview of the recent advances in co-assembly systems with circularly polarized luminescence properties based on macromolecules.

This review covers the vast topological diversity of self-assembled Pd_nL_2n architectures as well as strategies for the non-statistical synthesis of multicomponent cages by integrative, orientational, and chiral self-sorting.

This paper systematically summarizes the characteristics of PBAs and the challenges faced by its commercialization. Then discusses actionable regulatory strategies including bulk phase engineering and interface engineering.

This review provides a comprehensive overview of the progress in pore surface engineering of metal–organic frameworks and covalent organic frameworks, highlighting key advancements and their corresponding applications.

This review comprehensively explores how the synergistic effect between the two metal centers embedded within atomic and nanoparticle dual-metal catalysts facilitates the electrocatalytic CO₂RR, elucidating the structure–activity correlations.

This review highlights recent advances in the design and engineering of advanced MOFs, with a focus on the purification of C₂H₄ and C₃H₆ from the hydrocarbons with same carbon number through precise control of their pore structure and functionality.

This review explores the advancements in the chemistry of higher acenes and their derivatives, with a focus on their synthesis, characterization, and potential applications.

This review examines nature-inspired skin adhesives that exhibit strong wet adhesion and high biocompatibility for next-generation wearable technologies, focusing on the chemical and physical mechanisms, design, and applications.

The present review article provides a way to design high-performance energy storage materials based on organic compounds for flexible electronics and wearable device architectures.

An overview of C(sp²)–H and C(sp³)–H acetoxylation: from noble and base metal catalysis to cutting-edge electrochemical and photochemical strategies, unveiling sustainable pathways and mechanistic elegance.

This review highlights the application of in situ transmission electron microscopy (TEM) in studying the morphology, composition, and phase evolution of 0D, 1D, and 2D nanomaterials in solid, liquid, and gas environments.

Hydrogen production via photocatalytic ammonia decomposition has unique advantages, including high activity, mild conditions, a green process, and fast response, which benefit from the photochemical effect and photo-induced thermal effect.

This review summarized the energy storage mechanism, challenges and corresponding improvement strategies of layered manganese dioxide and briefly put forward research directions to enhance the electrochemical performance.

Aqueous zinc-ion batteries (AZIBs) are gaining significant attention due to their excellent safety, cost-effectiveness, and environmental friendliness, making them highly competitive energy storage solutions.

Imbalanced data, where certain classes are significantly underrepresented in a dataset, is a widespread machine learning (ML) challenge across various fields of chemistry, yet it remains inadequately addressed.

Interface engineering fundamentally revolutionizes magnesium-based hydrogen storage systems by orchestrating atomic-scale interactions and mass transport pathways through synergistic integration of structural design and compositional modification.

Carbon-based iontronics is an emerging field. Various nanostructured carbon materials enable bio-inspired information sensing, processing, and actuation by mimicking bioelectric signals and bioactive ion interactions.

This review highlights the roll-to-roll dry coating process, a scalable and industrially viable approach, by introducing its underlying mechanisms, latest developments, and applications.

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.

This article provides a comprehensive overview of the progress, challenges, and outlook of solid electrolyte membrane reactors (SEMRs) in energy, chemical, and environmental applications.

By evaluating the dynamic structural evolution of metal SAs and clusters during catalytic reactions, this work provides potential solutions for promoting in-depth research and further application of high-performance single-atom and cluster catalysts.

A comprehensive review of metal-based inducers of immunogenic cell death (ICD), their design strategies, molecular mechanisms to trigger ICD, subsequent protective antitumor immune responses, as well as validation approaches.

Perovskite materials, with their tunable band gaps, high optical absorption, and excellent carrier mobility, are key candidates for lasers, LEDs, photodetectors, and solar cells.

This review summarizes recent advances in asymmetric alkenyl C–H bond functionalization reactions, as well as provides an outlook on future opportunities and challenges.

Room-temperature synthesis bridges the gap between the chemistry and practical application of COFs. This review provides an overview of the characterization technologies of COF growth mechanisms and recent room-temperature synthetic strategies.

This review systematically summarizes the latest advances in bimetallic effects for the reduction of CO₂ to multi-carbon products, discussing the structure–activity relationships of typical bimetallic catalysts for the reaction.

This article reviews computational tools for the prediction of the regio- and site-selectivity of organic reactions. It spans from quantum chemical procedures to deep learning models and showcases the application of the presented tools.