Themed collection Articles behind the 2025 journal covers


Unveiling POM–peptide complexes: molecular insights into metal oxide nanoparticle–protein interactions
Factors influencing Keggin polyoxometalate species interaction with small peptide molecules have been summarized providing models for investigation of mineral nanoparticle–protein interactions.
CrystEngComm, 2025, Advance Article
https://doi.org/10.1039/D4CE01269K
Harnessing non-covalent interactions in modified thiophenes: structural design and applications in materials and biological sciences
This highlight explores the key role of thiophene-based compounds in organic electronics, sensors, medicinal chemistry, solid-state reactions, crystal engineering, and supramolecular helices, using X-ray, DFT, and microscopy techniques.
CrystEngComm, 2025,27, 736-748
https://doi.org/10.1039/D4CE01213E
Structure features of a supramolecular organic framework self-assembled from a chiral natural compound
A fascinating supramolecular-organic framework (SOF) self-assembles from a chiral naturally occurring lanostane compound extracted from the Thai plant Miliusa sessilis.
CrystEngComm, 2025,27, 297-301
https://doi.org/10.1039/D4CE01008F
An unsymmetrically sandwiched bis(O3S2-macrocycle) lead(II) complex via an endo/exo-coordination mode
Self-assembly reactions of ditopic O3S2-macrocycle (L) with a lead(II) salt afforded an unsymmetrically sandwiched complex, including an edge-to-face mode as the first non-soft metal species in this category.
CrystEngComm, 2025, Advance Article
https://doi.org/10.1039/D4CE01045K
Prism[n]arene-alkyl dibromide (n = 5, 6) synergy: molecular affinity in the solid state
Herein, we report on the influence of size- and shape-dependent molecular affinity on the supramolecular self-assembly in the solid state of prism[n]arene-alkyl dibromide (n = 5, 6) systems.
CrystEngComm, 2025, Advance Article
https://doi.org/10.1039/D4CE01320D

On the pK of crystal surfaces: molecular modeling of crystallite protonation, local reorganization, and solute dissociation
We demonstrate the application of the ‘instantaneous pK’ approach to the molecular dynamics simulation of crystallite models exposed to an acidic solvent environment.
CrystEngComm, 2025,27, 1392-1398
https://doi.org/10.1039/D4CE01292E

Non-covalent interactions in solid p-C6F4Cl2 and C6F5Cl
A solid-state study of the weak non-covalent interactions in p-C6F4Cl2 and C6F5Cl reveals complex phase behaviour in the latter. The disordered form II of C6F5Cl is isomorphous to the crystal structure of p-C6F4Cl2.
CrystEngComm, 2025,27, 1386-1391
https://doi.org/10.1039/D4CE01192A

Substrate-surface-structure tuned electrical and magnetic properties of PrCoO3/CaCoO2.5 superlattices
This study systematically investigates the effects of substrate surface structures on the physical properties of perovskite (PV)/brownmillerite (BM) superlattices.
CrystEngComm, 2025,27, 1256-1261
https://doi.org/10.1039/D4CE01166J
Twisted cholesterol crystals by Mueller matrix microscopy
Twisted cholesterol spherulites are stained by coumarin to explore their microstructures.
CrystEngComm, 2025, Advance Article
https://doi.org/10.1039/D4CE01252F

Luminescent lanthanide-doped calcium phosphate from oyster shell waste: an example of bright recycling
This research explores the transformation of biogenic CaCO3 microparticles (Ø < 45 μm) from oyster shell waste into luminescent Eu- or Tb-doped calcium phosphate (apatites), using a sustainable “one-step” and eco-friendly method.
CrystEngComm, 2025,27, 1078-1089
https://doi.org/10.1039/D4CE01217H
Blue- and white-light emitting 2D metal–organic frameworks of cis-5-norbornene-endo-2,3-dicarboxylic acid
Two 2D MOFs were isolated using cis-5-norbornene-endo-2,3-dicarboxylic acid emit near white-light (Pb-MOF) and blue-light (Zn-MOF) due to the structural variation and local metal-centered and ligand-to-metal charge transfer.
CrystEngComm, 2025,27, 913-920
https://doi.org/10.1039/D4CE00985A

Helical ammonium halide framework constituting polar conglomerate crystals of 2-ethylanilinium chloride
Crystallization of 2-ethylanilinium chloride produces chiral and polar fibrous crystals composed of a helical ammonium halide framework.
CrystEngComm, 2025,27, 729-735
https://doi.org/10.1039/D4CE01084A

Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing
Ligand transformations are observed in the coordination polymers constructed from bis-pyridyl-bis-amides (L1–L5) and 1,4,5,8-naphthalenetetracarboxylic acid.
CrystEngComm, 2025,27, 606-615
https://doi.org/10.1039/D4CE01119H
Deformation behavior and yield strength prediction of [112] oriented NbMoTaW refractory high entropy alloy nanowires
A thermal activation-based theoretical model incorporating the stacking fault energy and surface energy as pivotal parameters can effectively predict the yield stress of the RHEAs in the IHP stage and can be extended to other BCC metals.
CrystEngComm, 2025,27, 596-605
https://doi.org/10.1039/D4CE00984C
Organic fluorine mediated intermolecular interactions: insights from experimental and theoretical charge density analyses
The attractive nature of type II C–F⋯F–C interaction has been established using experimental and theoretical modelling of electron densities using multipole modelling of high-resolution X-ray diffraction data and theoretical structure factors.
CrystEngComm, 2025,27, 478-487
https://doi.org/10.1039/D4CE00829D
About this collection
This collection brings together all of the research articles behind our 2025 journal covers and showcases the wide range of research found in the journal. Further articles will be added to this collection as they are published so please do return to keep up to date with the work behind our covers. If your article has been accepted for publication, and you are interested in showcasing your research on one of our covers, please do contact the Editorial Team for further information.