Themed collection 2024 Chemical Science Perspective & Review Collection

In recent years, Natural Orbital Functional (NOF) theory has gained importance in quantum chemistry, effectively addressing a major challenge: providing accurate and balanced descriptions of systems with strong electronic correlation.

Building on recent advancements, this perspective article examines key design principles that facilitate the use of reversible solid-state cycloaddition reactions for molecular solar thermal energy storage applications.

Recent advances and outlook of porous organic cage-based materials (pristine POCs, POC composites and POC derivatives) in the field of energy applications, including photocatalysis, electrocatalysis, separation, batteries and proton conductivity.

We discuss the challenges and practical considerations currently associated with the use of L-oligonucleotides and explore potential solutions that pave the way towards the broader adoption of L-oligonucleotides in clinical applications.

This perspective provides a comprehensive examination of the rate-dependent stability of Zn anodes by comparing and contrasting various nucleation-growth theories and models relevant to current density.

Combining photodynamic therapy (PDT) and photoactivated chemotherapy (PACT) into one single compound allows to achieve more efficient light-induced therapy.

Catalysts consisting of isolated metal atoms bonded to solid supports have drawn wide attention by researchers, with recent work emphasizing noble metals on metal oxide and zeolite supports.

The evolution of next-generation HF-OLED technology and current challenges.

In this perspective, recent discoveries in the integration of gas storage and catalysis by leveraging PL platforms have been summarized, highlighting the unique features different from those of traditional homogeneous or heterogeneous procedures.

Employing water as a hydrogen source is an attractive and sustainable option in electricity-driven organic hydrogenation, which can overcome the drawbacks associated with traditional hydrogen sources like H₂.

O₂ is an attractive oxidant but it is also kinetically inert which limits its use in synthetic transformations. Metal–ligand cooperativity is a promising biomimetic strategy to activate O₂ for oxidative reactivity and catalysis.

This perspective summarizes the mechanism and factors affecting magnesiothermic reduction reaction to make porous silicon for energy storage and fuel generation applications.

Evolutionary and machine learning methods have been successfully combined and applied to the generation of molecules and materials exhibiting desired properties.

Synthetic anion receptors based on sigma-hole interactions are increasingly used to transport anions across membranes. This article discusses the progress in the field and prospects for biological applications.

The fluctuating reproducibility of scientific reports presents a well-recognised issue, frequently stemming from insufficient standardisation, transparency and a lack of information in scientific publications.

Over the years, spectroscopic, electrochemical and structural studies of [FeFe] hydrogenases have provided ‘pieces’ of information to complete the ‘puzzle’ of their catalytic cycle. However, there are still missing pieces that we need to fill in.

An overview of the recent advances in the photoinduced construction of axially chiral compounds was presented.

This perspective discusses the current landscape of machine learning (ML)-empowered next-generation DNA sequencing, including both theoretical and experimental aspects.

Photoswitching via indirect excitation allows harnessing low-energy photons to control molecular configuration. Herein, the state of the art of the predominant indirect photoswitching methods is presented.

Developments and prospects for solid oxide cells using a perovskite-based fuel electrode for CO₂ electrolysis to CO.

Amorphous MOFs (aMOFs) are often prepared through introducing disorder to crystalline frameworks. This perspective aims to introduce directly synthesised aMOFs, expanding on synthetic methods, characterisation techniques and potential properties.

Delving into the tools empowering polymer chemists to design polymers for roles as solid electrolytes, multifunctional binders and active electrode materials in cutting-edge solid-state batteries and wearable devices.

This perspective summarizes the latest progress in advanced metal-detection based techniques, along with examples of their successful applications as drivers for novel insights for elucidating the roles of metals in biology and medicine.

A comprehensive summary of how different endogenous molecules' metabolic processes (including H₂O₂, iron, lactate, GSH, and lipid metabolisms) impact Fenton chemistry is provided in this perspective for advancing chemodynamic therapy against cancer.

In this perspective, we have discussed the recent progress of flexible HOFs, with particular focus on various dynamic behaviors and their applications in different fields. Finally, the current challenges and opportunities in this field are discussed.

To maximise performance and scalability of biohybrid systems for solar fuel generation, we emphasise the need for rational design of the biotic–abiotic interface, taking into consideration two important aspects: attachment and electron transfer.

Life-cycle assessment can better capture the impacts of plastics recycling by expanding beyond greenhouse gases to include fossil carbon balances, net diversion of waste from landfill, and avoided release of plastic pollution to the environment.

Based on alternating deposition of macromolecules, the layer-by-layer (LbL) method allows the functionalization of surfaces. Possessing intrinsic properties, protein-based LbL films are a powerful tool to control bacterial and mammalian cell fate.

Initial calculations of environmental footprints associated with using Ni vs Pd catalysis in a representative metal-catalyzed Suzuki–Miyaura cross-coupling reveal that the choice of ligated metal is often NOT of consequence. Rather, it is a culmination of other parameters such as medium.

Electrochemistry shows promising new avenues in the recycling of polymeric materials. This work reviews electrochemical depolymerization, post-polymerization functionalization, and paired catalysis, highlighting future challenges and opportunities.

Fluorescent dye based nanoparticles have high potential for many applications. Here we highlight key photophysical challenges and design principles to keep in mind in the search for new brightly fluorescent nanoparticles.

Cyanines are organic dyes bearing two aza-heterocycles linked by a polymethine chain.

This perspective summarizes the advances in quinoxaline-based acceptors for organic solar cells and suggests several potential directions for further research.

This perspective provides a brief analysis of the involved supramolecular interactions in the action of drug delivery, including biocompatibility, drug loading, stability, spatiotemporal distribution, and controlled release.

The development of the DalPhos cage ligand family and application in developing state-of-the-art nickel-catalyzed cross-coupling chemistry is described.

Lead-free layered halide perovskites, featuring adjustable inorganic octahedra linked by organic spacers, provide a versatile platform for numerous optoelectronic applications due to their structural diversity and electronic functionalities.

This perspective summarizes recent advances in synthetic strategies and insights into ring contraction effects on ring-contracted porphyrin-related macrocycles, including subporphyrins, triphyrins(2.1.1), and calix[3]pyrroles.

A deep understanding of electrode–electrolyte interfaces requires the development of modelling protocols spanning from the local microscale to system-level macroscopic sizes which can be validated by comparison with high-quality experimental results.

Transition metal nitrides are promising catalysts for a variety of reactions. This work outlines their use for C₁ molecule upgrading, biomass valorization, and hydrogen evolution, and presents challenges and future opportunities for these catalysts.

This article highlights a perspective shift, focusing on the transition from the internal mechanisms of electrochemical processes to their interactions with the environment, thus unlocking potential applications in environmental regulation.

This perspective outlines three potential routes for nanopore-based glycan sequencing, highlighting their potential applications and offering insights to meet associated challenges. It also introduces the concept of nanopore-based glycan sequencer.

Photoswitchable fluorescent nanoparticles (PF NPs) are an emerging type of optical nanomaterial with distinct photo-responsive properties, which have shown promising applications in diverse fields recently.

This perspective highlights the challenges and opportunities in achieving sustainable plastic recycling under mild conditions by imitating the active sites and the substrate-binding clefts of enzymes.

Asymmetric organocatalysis has acquired a prominent place in modern synthesis of noncanonical α-amino acids (ncAAs), valuable structural elements in organic synthesis, chemical biology, and medicine.

An overview of PVC functionalization through the lens of chemical recycling.

Sacrificial anodes enable reductive electrosynthesis but can inadvertently limit the conditions compatible with organic reactions. Addressing challenges that arise at sacrificial anodes can improve yields and streamline reaction optimization.

The comparison of homologous hydrogenases, in which the same inorganic active site is surrounded by a variable protein matrix, has demonstrated that residues that are remote from the active site may have a great influence on catalytic properties.

To exploit the applicative potential of TADF, several intertwined interactions must be understood, fully accounting for the local environment.

While chemistry has a role as the central science, other sciences are also central to solving the problems that lie ahead. To be more effective in this endeavor, we need to connect disciplines and break down the silos that artificially separate them.

This Perspective article highlights recent studies in which continuous flow approaches exploiting photochemical, electrochemical, and thermal reactions led to the discovery and subsequent exploitation of new reactions and reactivity patterns.

Advances in bioorthogonal polyoxometalate (POM) chemistry will open exciting opportunities for the controlled use of stimuli-responsive POM-based organic–inorganic nanoassemblies in biomedical applications as well as catalysis and electronics.

In this perspective, the progress in ion-regulated organic RTP materials and described the roles of ions, including ion–π interactions, electrostatic interactions, and coordinate interactions, have been summarized.

Developments in methods to increase the oxidative capacity of ArIL₂ reagents are discussed, with a focus on an understanding of these species' behaviour from the perspective of the iodine.

Characterizing functionalized 2D materials is not easy. We present a critical overview of the challenges, the spectroscopic, microscopic and analytical techniques available and practical examples in the literature to illustrate their correct use.

The dynamic nature of bacterial lipid diversity and membrane properties in response to stress conditions is discussed. This emerging area has implications for a range of cellular processes and drug design for selective cell targeting.

This article provides an in-depth analysis of the reaction chemistry of boryl compounds, including transition metal boryl complexes and diborane(4) compounds, from a structure and bonding perspective.

This perspective article relates on the recent developments around lanthanide based upconverting molecules and supermolecules and presents the state-of-the-art in the field as well as perspectives and future outlooks.

Functionalisation of polyfluorocarbon positions generally suffers from over-defluorination. Frustrated Lewis pairs (FLPs) offer a unique solution to this problem allowing direct access to a wide range of 2nd generation fluorocarbon products.

This perspective underscores the fabrication of NPoM nanocavities and their utilization for achieving enhanced capabilities or improved spatial resolution in dark-field scattering spectroscopy and plasmon-enhanced spectroscopy.

Combining organic crystals and polymers results in a new class of all-organic, lightweight, flexible materials with unprecedented mechanical robustness, resilience, and diversity in combination with other functional materials.

This perspective focuses on the latest understanding of the folding-promotion mechanisms by chaperones and oxidoreductases and recent progress in the development of chemical mimics that possess activities comparable to enzymes.

The identification of macrocyclic peptides in drug discovery demands not only advanced screening strategies but also robust and reliable synthetic methodologies to constrain peptides under biocompatible conditions.

Interfacial polymerisation has become an important method for the preparation of porous organic framework (POF) membranes. We summarise the strategies and applications in forming POF membranes induced by different interfaces.

Each step in model development affects its accuracy.

Diaryl hypervalent bromines and chlorines emerge as a novel foundation for advancing organic chemistry. This article provides an overview of the synthetic methodology, structural variations, and the latest transformations unearthed in this context.

Green oxidation reactions performed by organocatalytic activation of hydrogen peroxide.

The critical task of activating and cleaving inert C–C bonds during plastic upcycling and recycling holds substantial importance.

Insight into the thermodynamics and kinetics of depolymerization to understand the barriers that prevent effective monomer regeneration from vinyl polymers, and an exploration into overcoming these limitations.

Platinum's recent evolution spans from responsive complexes to multicomponent assemblies. This Perspective Article explores the role of this metal in designing macrocycles and polymers that reshape or restructure in response to external stimuli.

A perspective discussing the ways in which infrared spectroscopy can be used to study biomolecular processes over a wide range of timescales.