Themed collection 2025 Chemical Science HOT Article Collection

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.

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.

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

In the MAPK and PI3K pathways, upstream kinases Raf, MEK, and PI3K have one primary substrate, while downstream kinases ERK, AKT, and mTOR have multiple substrates. Mutations in PI3K/AKT/mTOR kinases are more abundant than mutations in MAPK kinases.

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

In situ Raman spectroscopy study of the CO₂ electroreduction reaction.

Methylamine is synthesized from nitrate and CO₂ on a heterometallic polyphthalocyanine electrocatalyst (Co₂Cu₁PPc) with bifunctional centers for the formation of key intermediates.

Liquid–liquid phase separation under vibrational strong coupling.

This study aimed to elucidate the function of the bacterial bifunctional enzyme AsDMS, which catalyzes the conversion of farnesyl pyrophosphate into drimenol. Structural, mutational and biochemical analyses revealed the molecular mechanisms of AsDMS.

Circularly polarized luminescence (CPL) is always determined through differential intensities for left and right polarized emission. Here we show that CPL information encoded in rgb-chromaticity can be extracted from pairs of photographs.

A bioinformatic search of calcium-binding domains led to the identification of high-capacity, high-affinity, and high-selectivity binders for REE separation and recovery.

A catalyst- and thiol-free one-pot strategy for thioester synthesis is reported, utilizing arenes, carboxylic acids, and tetramethylthiourea.

An electron-delocalized and dual redox-active organic electrode enables superior electrochemical desalination performance.

We present a reliable transient absorption method to directly measure photon absorption cross-sections, advancing photon-harvesting research.

In this work, we have reported the creation of a new family of materials with the integration of MOFs and HOFs into H-MOFs through a water-mediated synthetic strategy.

Instant synthesis of the HEAs was achieved with optimized electronic configurations for ultra-stable, long cycle life alkali metal–sulfur batteries.

Through computational studies, we show that powerful hidden factors, such as the water effect on the rotation of a molecular motor, can be captured. Our approach can be employed to understand a wide range of kinetic asymmetry driven systems.

Remote C5-selective C–H functionalization and mechanistic investigation.

For the first time, a sideward-scattered angular distribution is observed just above the threshold, directly reflecting the 107° bending angle in the C_3V transition state of the title reaction.

A highly reactive difluoroalkylating reagent has been developed. This reagent enables chemodivergent synthesis of structurally diverse difluoroalkylated cyclobutenes and difluoroalkylated cyclobutanes.

A TPP-induced SEI layer promotes dense and dendrite-free growth of K metal.

A ThDP-dependent enzymatic oxidation of aldehydes has been developed, proceeding via sequential single electron transfer processes. This transformation achieves up to 99% yield, a turnover number of 2000, and up to 99% e.e.

Ligation of two short REMO strands on a longer sequence-complementary template gives quantitative coupling reactions at very low concentrations and with very high selectivity using either S_NAr or CuAAC chemistry.

I₂O₄ was found to synergistically nucleate with HIO₃–HIO₂ and halogen bond-induced basicity enhancement was identified as the chemical nature of I₂O₄ behaving as a base in the nucleation with HIO₃/HIO₂.

Simple-structured NUV molecule with a benzonitrile acceptor achieves rapid and balanced carrier mobility. The doped OLED shows high efficiency and superior color purity, leading similar devices based on the HLCT mechanism (400 nm ≤ λ_EL ≤ 410 nm).

Heavy-atom-free BODIPY photosensitizer, Cbz-Bth-BDP, features weak yet semi-rigid donors, reducing S₁–T₂ gap, boosting SOC/electron affinity for enhanced ISC, photocatalysis, and pyroptosis activation.

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.

AIQM2's high speed, competitive accuracy, and robustness enable organic reaction simulations beyond what is possible with the popular DFT methods. It can be used for TS structure search and reactive dynamics, often with chemical accuracy.

Ion migration modulation in nanozymes can suppress self-consumption while maintaining high catalytic capability, thereby enhancing peroxidase-like activity and cycling stability, achieving efficient microplastic degradation.

The secondary structure of ssDNA on gold nanoparticles was determined by means of optical spectroscopic and advanced electron microscopy in a liquid environment.

A new concept of ligand ambiphilicity that relies on the redox behavior of the indirectly coordinated boron cluster scaffold instead of the direct involvement of a single center in a ligand is introduced.

In this study, we have developed a site-selective Suzuki–Miyaura cross-coupling for 2,4-dibromoaryl ethers, which is enabled by a cooperative ligand system pairing an electron-deficient ligand with a stabilizing ligand.

Co and Fe synergistically promote efficient CO₂ hydrogenation to light olefins.

The C-functionalized carborane-dithiol facilitated TiS-cluster formation via C–S bond cleavage, while the B-functionalized carborane-dithiol yielded a coordination complex through B–H bond activation within the carborane cage.

The retro-Diels–Alder reaction benzoquinone products were obtained in milliseconds using microdroplet chemistry. Notably, 2.6 mg of the blue scorpion venom compound were obtained in 60% isolated yield.

We developed a Si-CDs@B₂O₃ material that exhibits ultra-wide time-dependent phosphorescence color in a single system for the first time. The phosphorescence emission of Si-CDs@B₂O₃ shifts from red to orange, yellow, green, and cyan blue.

Photochromic radionuclide-based “claw machines” characterized via a combination of isothermal titration calorimetry and spectroscopic analysis unlock a pathway for on demand radionuclide capture and release.

A modeling study shows that catalytic cascades for artificial photosynthetic systems can be made highly efficient by incorporating multiple biological principles, including confinement, directional diffusion and timing modulation.

Safe, eco-friendly zinc-ion batteries face irreversible anode degradation. This work introduces a dynamic amphiphilic additive that simultaneously regulates Zn²⁺ solvation and interfacial kinetics, enabling efficient AZIBs.

Structurally-defined dendritic Fe(II)-based glycan nanoassemblies featuring 24, 36, and 72 mannose units enable nanomolar binding with lectin targets.

This study demonstrates that cordycepin (3′-dA), as a dual-function element, enhances the Sgc8c aptamer's antitumor activity and stability. Sgc8-23A shows improved efficacy in colon cancer models, highlighting its potential for targeted therapy.

Fluorinated diethyl and dipropyl halonium salts were synthesized via fluoroalkylation of bromofluoro and iodofluoro alkanes. Oxidation of CHCl(CH₃)(CF₃) yielded a highly reactive asymmetric chloronium species, capable of isobutane activation.

Selective formation of low-symmetry Tri²₂Tri²via dynamic covalent chemistry was achieved. Solvent choice enabled kinetic or thermodynamic control, directing assembly towards Tri²₂Tri² or high-symmetry Tri⁴Tri⁴ cages.

A novel iodide-mediated intermediate regulation strategy was developed through the rational combination of zinc iodide with high-loading cathodes.

A new assay leverages the small molecule BF-79-2, instead of antibodies, to specifically capture and detect α-synuclein aggregates at picomolar levels in biofluids, enhancing versatility for biomarker disease diagnostics.

We demonstrate tension-modulated self-recovering mechanochromic fluorescent (MCF) behaviors in polymorphic Np-H crystals (Np-H-1/Np-H-2) together with edge-detecting technologies for table-tennis equipment.

Vinyl sulfonimidamides are effective electrophilic groups for reaction with both sulfur- and nitrogen-based biologically relevant nucleophiles. We show that the reactivity of these new reagents can be modulated by choice of the imidic N-substituent.

Multi-modal transfer learning for predicting and explaining universal properties of organic crystals.

This study presents a photoinduced palladium-catalyzed method using sterically demanding unactivated alkyl halide electrophiles and cyclopropanols as a masked nucleophilic counterpart, enabling C(sp³)–C(sp³) cross-coupling under mild conditions.

A single-carbon-atom transfer reaction to para-quinone methides with commercially available TMSCF₂Br as an atomic carbon equivalent was developed.

A near-neutral electrolyte was prepared by adding alkaline 1-methylimidazole (MMZ) to 0.5 M H₂SO₄. The formed large MMZ-H⁺ cations and H⁺ allow co-insertion into the HATN-3CN anode, achieving a 40% capacity enhancement compared to H₂SO₄ electrolyte.

The ligand-exchange coupled metal-exchange induced transformation of Au₂₃ NC to the superatomic AuCu₅₆ NC.

Flexible phosphonium–sulfonate pair-to-pair self-assembled ionic organic single crystals demonstrate high-efficiency iodine capture, offering a sustainable strategy for radioactive waste management.

We present a method for the generation of boron-containing unsaturated small molecules via hexamethylbenzene elimination.

Conversion of oxime-modified polyethylenes to polyamides by Beckmann rearrangement creates materials with enhanced adhesion. Deconstruction by hydrogenolysis furnishes fragments that serve as precursors for new materials.

Scalable electric-field catalysis on carbon nanotubes in electromicrofluidic reactors is shown to accelerate and direct reactions toward intrinsically disfavored products.

Hyperfine coupling in transition metal molecular qubits has been analysed using density functional methods to provide more information on how to control it through structural and coordination tuning.

Computational approaches for predicting the binding affinity of ligand–receptor complex structures often fail to validate experimental results satisfactorily due to insufficient sampling.

A Cu²⁺-mediated bipolar-type CMP is developed to maximize abundant active site utilization and enhance ion diffusion kinetics for durable, high energy-density, and fast-charging LIB cathodes.

Chemical modification of chlorophyll pigments in the far red light-photosystem II (FRL-PSII), expand the spectral range of oxygenic photosynthesis.

Circularly polarized fluorescence energy transfer (CPF-ET) was utilized as a guidance strategy for the synthesis of CPL-active CMOFs, resulting in three pairs of CMOFs with exceptional CPL performance, especially high |g_lum| values in single forms.

Radical SAM enzymes TrnC and TrnD collaborate to install thioether crosslinks in thuricin CD, with TrnC as the key catalyst—unveiling a rare two-component antibiotic biosynthesis.

Mechanochemistry enables the facile ¹⁷O-enrichment of (bi)carbonate salts for high-resolution ssNMR analyses.

This work achieved the arylation of gold nanoclusters with maintained templates, bridging two major research areas of gold chemistry—arylgold complexes and gold nanoclusters.

Overcoming the toxicity and selectivity issues of cationic antimicrobial peptide mimics via amine-caged prodrugs that could be specifically uncaged by bacteria-derived β-lactamase enzyme.

In situ FTIR spectroscopy can measure K_a values across different classes of host–guest complexes involving hydrogen and halogen bonding. This approach requires minimal sample preparation and can track host or guest vibrational changes.