Themed collection #MyFirstChemSci 2025


Unveiling the photophysical mechanistic mysteries of tetrazine-functionalized fluorogenic labels
This review highlights the mechanisms underlying the unique fluorogenic properties of tetrazine-functionalized labels and proposes new strategies to enhance fluorogenicity in the near-infrared region.
Chem. Sci., 2025,16, 4595-4613
https://doi.org/10.1039/D4SC07018F

Machine learning modeling of electronic spectra and thermodynamic stability for a comprehensive chemical space of melanin
Machine learning of melanin chemical space for bio-optoelectronic applications.
Chem. Sci., 2025, Advance Article
https://doi.org/10.1039/D5SC00046G

PepINVENT: generative peptide design beyond natural amino acids
PepINVENT introduces a generative model for designing peptides that extend beyond natural amino acids, enabling non-traditional peptide discovery and optimization.
Chem. Sci., 2025, Advance Article
https://doi.org/10.1039/D4SC07642G

Specific ion effects enhance local structure in zwitterionic osmolyte solutions
Using total scattering and simulations, we describe how different salt species influence zwitterion cluster morphologies in water.
Chem. Sci., 2025,16, 6770-6779
https://doi.org/10.1039/D5SC00286A

Controlling the spatial distribution of electronic excitation in asymmetric D–A–D′ and symmetric D′–A–D–A–D′ electron donor–acceptor molecules
Using ultrafast time-resolved IR spectroscopy, we find that charge-transfer excitation does not always localise on the strongest electron donor–acceptor pair. Solvation is another crucial factor which determines where the exciton is trapped.
Chem. Sci., 2025, Advance Article
https://doi.org/10.1039/D5SC01257K

A general approach for activity-based protein profiling of oxidoreductases with redox-differentiated diarylhalonium warheads
A general chemoproteomic profiling approach for oxidoreductases with conceptually novel probes based on diarylhalonium salts is reported.
Chem. Sci., 2025,16, 6240-6256
https://doi.org/10.1039/D4SC08454C

Fluoride-induced redox-switchable behaviour of a palladium(II)/(IV) couple
Pincer palladium complexes with an appended naphthalene-diimide unit show ‘fluoride-induced’ redox switchable behavior in a series of Pd(II)/Pd(IV) related stoichiometric and catalytic processes.
Chem. Sci., 2025,16, 6257-6264
https://doi.org/10.1039/D4SC08203F

Metal–silicon triple bonds: reactivity of the silylidyne complexes [Cp*(CO)2M
Si–Tbb] (M = Cr – W)
A series of novel reactions of the complexes [Cp*(CO)2MSi–Tbb] (M = Cr – W) are presented substantiating the synthetic potential of metal-silicon triple bonds.
Chem. Sci., 2025, Advance Article
https://doi.org/10.1039/D5SC01063B

One-pot synthesis of E-chalcones using a multifunctional catalyst comprised of ruthenium nanoparticles and palladium N-heterocyclic carbene complexes immobilized on silica
The one-pot synthesis of valuable E-chalcones is achieved using a multifunctional Ru@SiO2-[Pd–NHC] catalytic system combining molecular and nanoparticle sites for efficient carbonylative Sonogashira coupling and selective hydrogenation.
Chem. Sci., 2025,16, 5776-5785
https://doi.org/10.1039/D4SC07773C

Synthesis of organic molecules via spray-drying
Spray-drying, a rapid, continuous, and widely used industrial process that atomizes microdroplets and dries them in a hot gas stream, is employed to conduct chemical reactions for the synthesis of small organic molecules such as paracetamol.
Chem. Sci., 2025,16, 5770-5775
https://doi.org/10.1039/D5SC00126A

Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity
We report a convenient and inexpensive two-step synthesis to organyl-substituted 1,2,3-benzodiazaborines (DABs), leading to a series of luminescent borates derived therefrom.
Chem. Sci., 2025, Advance Article
https://doi.org/10.1039/D5SC01500F

Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer
In this manuscript, the piezochromism and thermochromism of phase-stable 2D hybrid perovskites containing a rigid organic bilayer are explored. Dual-band emission from single crystals is linked to emission from both the surface and the bulk.
Chem. Sci., 2025,16, 5662-5675
https://doi.org/10.1039/D4SC06637E

Multi-stimuli-responsive polymers enabled by bio-inspired dynamic equilibria of flavylium chemistry
This study successfully synthesised flavylium-containing polymers via RAFT polymerisation and post-modification, demonstrating tuneable multi-stimuli-responsiveness to pH, light, temperature and solvent.
Chem. Sci., 2025, Advance Article
https://doi.org/10.1039/D5SC00977D

Unusually air-stable copper(I) complexes showing high selectivity for carbon monoxide
We report two Cu(I)-tren host molecules with unusual air-stability, as revealed by strong preference for axial CO binding over bent O2.
Chem. Sci., 2025,16, 5058-5063
https://doi.org/10.1039/D5SC00237K

Mercapto-NSAIDs generate a non-steroidal anti-inflammatory drug (NSAID) and hydrogen sulfide
A new class of mercapto-NSAIDs that generate persulfide, H2S, and the NSAID is reported.
Chem. Sci., 2025,16, 4695-4702
https://doi.org/10.1039/D4SC08525F

Metal–ligand cooperativity enables zero-valent metal transfer
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.
Chem. Sci., 2025,16, 3888-3894
https://doi.org/10.1039/D4SC07938H

Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity
Thiosemicarbazones exhibit versatile photochromic and supramolecular properties, making them excellent photoswitches for designing systems that respond to external stimuli.
Chem. Sci., 2025,16, 3130-3140
https://doi.org/10.1039/D4SC08530B

Affinity-based covalent sialyltransferase probes enabled by ligand-directed chemistry
Ligand-directed chemistry (LDchem) sialyltransferases (ST) probes with an O-nitrobenzoxadiazole warhead enable selective fluorescent labelling of a wide range of recombinant STs and native lipooligosaccharide ST (Lst) in Neisseria gonorrhoeae.
Chem. Sci., 2025,16, 3336-3344
https://doi.org/10.1039/D4SC07184K

Self-sensitized Cu(II)-complex catalyzed solar driven CO2 reduction
Developing a self-sensitized catalyst from earth-abundant elements capable of efficient light harvesting and electron transfer is crucial for enhancing the efficacy of CO2 reduction, environmental cleanup, and improving clean energy prospects.
Chem. Sci., 2025,16, 3114-3123
https://doi.org/10.1039/D4SC06354F

More π, please: What drives the formation of unsaturated molecules in the interstellar medium?
We computationally investigated the fragmentation pathways of saturated molecules detected in the interstellar medium, demonstrating how high-energy processes drive their transformation into unsaturated species with extended π-bond networks.
Chem. Sci., 2025,16, 3051-3065
https://doi.org/10.1039/D4SC07986H

Two-photon brightness of NIR-emitting, atomically precise DNA-stabilized silver nanoclusters
Characterization of 2PA of DNA-stabilized silver nanoclusters (AgN-DNAs) with far-red to NIR emission identify them as water-soluble two-photon absorbers.
Chem. Sci., 2025,16, 1737-1745
https://doi.org/10.1039/D4SC05853D

Regio- and diastereoselective synthesis of cyclobutylated phenothiazines via [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells
We have demonstrated the synthesis of regio- and diastereoselective cyclobutylated phenothiazines via [2 + 2] visible-light-irradiated cycloaddition and wavelength-gated cycloreversion inside the live cells for cell imaging and drug delivery.
Chem. Sci., 2025,16, 709-720
https://doi.org/10.1039/D4SC07817A
About this collection
This themed collection highlights and celebrates articles shared by our authors using the #MyFirstChemSci hashtag on social media in 2025.