AIEgens in Action: Design, Mechanisms, and Emerging Applications
A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Physical Chemistry and Chemical Physics".
Deadline for manuscript submissions: 20 February 2026 | Viewed by 21
Special Issue Editor
Interests: crystal growth; light scattering; biophysics; fluorescence spectroscopy; hydrogen bonding; intermolecular interactions; photophysics; spectral analysis; fluorescence; thiadiazoles; coumarins; experimental physics; lipids; time correlated single photon counting; dye chemistry; ions; FTIR-RAMAN; solvent effect; proton transfer; TICT; ESIPT; AIE
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Special Issue Information
Dear Colleagues,
Aggregation-Induced Emission (AIE) is a breakthrough photophysical phenomenon that reverses the conventional behavior of fluorophores by exhibiting increased emission intensity upon aggregation. This mechanism is driven by the restriction of intramolecular motions and suppression of non-radiative decay pathways at the molecular level, leading to a marked enhancement in emission quantum yield within aggregates. AIE is of paramount significance, not only in terms of fundamental photophysical chemistry, but also due to its vast potential for applications in biology, medicine, optoelectronics, and chemical sensing, enabling the development of intelligent materials with enhanced functionality.
This Special Issue aims to highlight the latest advances in molecular design, structural understanding, and photophysical mechanisms associated with AIE. Emphasis is placed on the synthesis of novel luminogens, the exploration of their optical properties, and theoretical modeling using methods such as DFT and TD-DFT. We welcome original research articles, reviews, and perspective papers that deepen the molecular-level understanding of AIE, covering areas such as synthesis, structure–property relationships, photophysical mechanisms, and theoretical insights. These studies are crucial for the advancement of molecular luminogen-based technologies for bioimaging, sensors, and photodynamic therapy.
We stress that AIE is not solely an effect of aggregation but is also profoundly influenced by molecular structure, intermolecular interactions, and charge transfer and emission mechanisms at the molecular scale. Modern theoretical and computational approaches—such as advanced spectral analysis and quantum modeling—are instrumental in elucidating these processes and designing novel luminogens with tailored properties.
Topics of interest include, but are not limited to, the following:
- Design and synthesis of AIE luminogens—novel molecular structures, functional modifications, and strategies for tuning emission wavelength, quantum yield, and biocompatibility.
- AIE in bioimaging and therapy—applications in cellular, subcellular, and in vivo imaging, particularly in the near-infrared (NIR) range; development of probes for biomarker, pathogen, and disease detection.
- Photophysical mechanisms—new insights into RIM, ESIPT, charge transfer, and other aggregation-related effects that influence or enhance molecular emission.
- AIE-based detection and sensing—ratiometric sensors, chemosensors, and multimodal platforms exploiting AIE mechanisms for environmental monitoring and diagnostics.
- Stimuli-responsive and multifunctional AIE materials—systems responsive to pH, temperature, enzymes, or light, enabling intelligent imaging, targeted drug delivery, and activation.
- AIE nanomaterials and hybrids—development of nanoparticles, composites, and supramolecular assemblies incorporating AIE luminogens.
- Theoretical and computational studies—DFT, TD-DFT, and modeling approaches that provide insight into structure–property relationships and emission mechanisms.
- Emerging applications—AIE-based OLEDs, lasers, solar cells, and other optoelectronic devices.
- Biological activity of AIE luminogens—investigations into antimicrobial activity, toxicity, and pharmacokinetics for therapeutic applications.
We invite the submission of original research articles that will inspire continued exploration of the molecular foundations of AIE, along with studies on synthesis, optical characterization, photophysical mechanisms, and theoretical modeling.
We look forward to receiving your valuable contributions to this exciting and rapidly evolving field.
Dr. Arkadiusz Matwijczuk
Guest Editor
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Keywords
- fluorescence effects
- photophysical properties of small molecules
- ion detection
- molecular spectroscopy
- various nanoparticle-based additives
- fluorescent and phosphorescent phenomena in solvents, amorphous states, and crystals
- quantum-mechanical calculations for molecular systems and compositions (DFT, TD-DFT)
- molecular aggregation influencing fluorescence and phosphorescence properties of tested systems
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