Atomically precise metal nanoclusters have emerged as tailorable luminescent materials with visible-to-NIR emission modulated by core size, metal composition, and ligand engineering. These ultrasmall clusters exhibit discrete quantum-confined electronic states with strong spin-orbit coupling, enabling diverse emission pathways. Current research focuses on elucidating emission mechanisms and developing strategies to enhance fluorescence quantum yields. In this review we emphasize structure-photoluminescence (PL) correlations and the underlying excited‐state origins of luminescence: ⅰ) coinage-metal clusters display multiple emissive channels–including prompt fluorescence, room-temperature phosphorescence, and thermally activated delayed fluorescence; ⅱ) the electronic gap–and thus emission energy–is directly governed by kernel size and metal identity, with core shrinkage and enhanced spin-orbit coupling generally inducing red-shifts; and ⅲ) ligand shell properties (identity/rigidity/packing) control charge-transfer pathways and nonradiative decay, while heterometal doping or rigidification modulates state ordering to brighten emission without necessarily shifting band positions. Importantly, many clusters display dual‐emission behavior: we propose a coupled core-shell emissive‐state model. wherein one band arises from a metal‐core excitation and the other from a ligand‐ or motif‐centered charge‐transfer state. Finally, we outline future challenges: dissecting core versus shell contributions to PL and boosting quantum efficiency through targeted control of cluster composition and ligand shell. Progress on these fronts is crucial for the rational design of next-generation cluster emitters.

Coulomb’s law predicts that like-charges ions repel and avoid dimerization. However, a class of dimers between like-charges ions is characterized. The [3,3’-Fe(1,2-C 2B 9H 11) 2] - (abbreviated as [ o-FESAN] -) represents an innovative non-classical inorganic anion apart form hydroxyanions, that exhibits anion-anion stabilization via dihydrogen bonding. Experimental methods (Nuclear Magnetic Ressonance (NMR), Dynamic light scattering (DLS), X-ray diffraction) and theoretical approaches (DFT) reveal that [ o-FESAN] - clusters aggregate by overcoming long-range electrostatic repulsion. The synthesis of [H 3O][ o-FESAN]•3H 2O and its crystal structure confirm the formation of stabilized anion-anion aggregates, with [H 3O] + counterions residing freely in the channels rather than between the anionic clusters. The structure exhibits the cisoid rotamer, which facilitates the ability of the anionic [ o-FESAN] - cluster to form interactions stabilized by dihydrogen bonds (head-to-middle cluster) shorter than the sum of the Van der Waals radii. These shorter bonds are crucial for the formation of anion-anion interactions mediated by dihydrogen bonds mediated by dihydrogen bonding. X-ray structures show that anions aggregate in the solid state, overcoming long-range electrostatic repulsion through dihydrogen bonds, distinct the hydrogen bonds commonly observed in anions systems involving highly electronegative elements. Consistent with crystal structure evidence, 1H NMR, Diffusion-ordered NMR spectroscopy (DOSY), Nuclear Overhauser Effect Spectroscopy (NOESY) and DLS confirm [ o-FESAN] - anion-anion aggregates in solution. Theoretical calculations support the formation of these anion-anion aggregates, primarily via C cluster-H···H-B bonds. While individual B-H···H-B interactions are weakly attractive, their cumulative effect significantly enhances aggregate stability. Additionally, the crystal structure of Na(H 2O) 3[o-FESAN] is reported and analyzed, providing further evidence of unconventional interactions stabilized by dihydrogen bonds.

Tunable cluster luminescence (CL) in non-conjugated polymers is a longstanding challenge due to lacking efficient molecular design strategies. Herein, we report a generalizable, scalable method to fabricate monodisperse, color-tunable CL microspheres by doping cross-linked polystyrene with carboxyl-containing monomers. Aggregated chromophores in the confined network exhibit enhanced dual emission via through-space interactions (TSI) of carboxyl groups and conformational rigidity induced by hydrogen bonding/coordination, spanning 400–700 nm. Emission is precisely tuned by varying carboxyl monomer types/ratios, sulfonation time, and pH. The optimized SPSMMAs-30 (30% MMA) features uniform size and strong fluorescence across 13 flow cytometry channels (coefficient of variation <3%), meeting calibration requirements. Crucially, this enables the first kilogram-scale synthesis of CL calibration microspheres with consistent optical properties. Beyond calibration, it shows high sensitivity in tetracycline detection and promise for multicolor anti-counterfeiting. This simple, cost-effective approach expands CL’s material design space and application potential in biomedicine, diagnostics, and materials science.

From Passive Monitoring to Active Control: Aggregation-Induced Emission-Driven Antimicrobial Nanotechnology for Long-Duration SpaceflightFeiyi Sun1,2, Nuomin Li1,3, Zheng Zhao2, Zicong Zhang2, Zuowan Zhou4,5, Xiaoling Xu4,5, Congwen Liu4, Qihuan Xiong6, Jianmin Tang6, Shiyong Yu7, Ying Zhang8, Ben Zhong Tang2,9,*, Yulin Deng3,*Dr. F.Sun, Dr. N. Li1Department of Comprehensive Basic Experiment, The Ninth Medical Center of Chinese PLA General Hospital, Beijing, 100101, China.Dr. F. Sun, Prof. Z. Zhao, Dr. Z. Zhang, Prof. B. Z. Tang2Guangdong Basic Research Center of Excellence for Aggregate Science, School of Science and Engineering, The Chinese University of Hong Kong, Shenzhen, Guangdong 518172, ChinaDr. N. Li, Prof. Y. Deng,3School of Medical Technology, Beijing Institute of Technology, Beijing 100081, China.Prof. Z. Zhou, Prof. X. Xu, Dr. C. Liu,4School of Chemistry, Southwest Jiaotong University, Chengdu, Sichuan 610031, China.Prof. Z. Zhou, Prof. X. Xu5Key Laboratory of Advanced Technologies of Materials (Ministry of Education), Southwest Jiaotong University, Chengdu, Sichuan 610031, China.Mr. Q. Xiong, Mr. J. Tang6Changsha XiangJi-Hiden Technology Co., Ltd, Changsha, Hunan 410000, ChinaDr. S. Yu7Beijing Genshu Technology Co., Ltd, Beijing 100041, ChinaProf. Y. Zhang8Beijing Key Laboratory for Separation and Analysis in Biomedicine and Pharmaceuticals, School of Life Science, Beijing Institute of Technology, Beijing 100081, China.Prof. B. Z. Tang9Department of Chemistry, Department of Chemical and Biological Engineering, Hong Kong Branch of Chinese National Engineering Research Center for Tissue Restoration and Reconstruction, Division of Life Science and State Key Laboratory of Molecular Neuroscience, The Hong Kong University of Science and Technology, Kowloon, Hong Kong 999077, China.Correspondence: Ben Zhong Tang (tangbenz@cuhk.edu), Yulin Deng (deng@bit.edu.cn)Keywords: Tianzhou-9, Aggregation-induced emission, China space station, Antibacterial module

Merging tetraphenylethylene (TPE) into cyclic skeletons endows fluorescent sensing capabilities for pillar[6]arenes aggregates, but results in losing their host–guest recognition function in dilute solutions. Inspired by natural enzymes, here we describe a series of TPE-based cyclo[6]arenes (termed TPz, TDz, and TTz) with endo-functionalized cavities containing inward-directed diazine motifs (pyrazine, pyridazine, and phthalazine) that act as hydrogen-bond acceptor sites. Combining electrostatic potential analysis and host–guest binding studies reveal that subtle variations in these diazine motifs substantially affect charge distribution and hydrogen-bond interactions within the internal microenvironment. These differences translate into disparate host–guest affinities, with TTz exhibiting the optimal performance. Unlike TPz which recognizes guests only in aggregate states, 1,2-diazine modified TDz and TTz possess dual-state recognition functionality. They enable size-selective binding for cationic guests in dilute solutions and sensitive fluorescence detection of nitrophenol pollutants in aggregate states through a photo-induced electron transfer-driven static quenching mechanism. This study underscores the potential of 1,2-diazine motifs as transformative hydrogen-bond acceptors for biomimetic host models with emergent properties.

Non-neoplastic diseases, such as cardiovascular, neurodegenerative, metabolic, and inflammatory disorders, are major global health challenges with complex pathophysiologies that demand precise and innovative therapeutic strategies. Nanozymes, artificial nanomaterials with enzyme-like catalytic functions, have recently emerged as promising candidates for such interventions. Distinguished by their programmable structures, tunable activities, and excellent biocompatibility, nanozymes can mimic multiple natural enzymes (e.g., superoxide dismutase, catalase, and peroxidase) to modulate oxidative stress and inflammation. Beyond catalytic activity, their functional integration enables immune regulation and metabolic reprogramming, facilitating multi-level (molecular to tissue) microenvironmental remodeling. This review highlights recent progress in nanozyme development for non-neoplastic disease therapy, emphasizing structure–function relationships, activity regulation in pathological conditions, and mechanistic roles in disrupting the oxidative stress–inflammation–immune dysregulation loop. We further summarize representative applications across cardiovascular diseases, neurodegenerative conditions, metabolic disorders, and inflammatory pathologies, focusing on advances in targeted delivery, responsive release, and multimodal theranostics. These insights collectively underline the transformative potential of nanozymes in next-generation precision medicine.

Confinement of fluorescent dyes is known to enhance fluorescence properties by reducing aggregation and restricting molecular motion, but few studies have attempted to modulate the extent of confinement. In this work, we explored extreme confinement by exploiting the rigid structure of Metal-Organic Frameworks (MOFs). Other than the commonly known restriction of peripheral substituents in fluorescent molecules for Aggregation-Induced Emission (AIE)-like effects, the more powerful confinement surprisingly led to buckling of the chromophore core, leading to reduced fluorescence lifetime. We name these effects as buckling-induced quenching (BIQ). By studying 14 dyes in zeolitic-imidazolate framework 8 (ZIF8), we systematically analyzed their confined behaviors, establishing strong correlations: The reduction of chromophore planarity always leads to a decrease of fluorescence lifetimes, whereas reduction in the longest dimension of the confined molecule, while maintaining chromophore planarity, always leads to an increased lifetime. Confinement in the larger cavities of ZIF71 leads to signs of alleviation, in good agreement with our hypotheses. The BIQ effects provide an important complement for the well-known confinement effects, and the extreme confinement serves also as an important reference for more subtle effects in various applications.

Organic fluorescent materials (OFMs), characterized by their unique molecular structures and exceptional optical properties, have demonstrated significant potential in diverse applications such as bioimaging, sensors, and display technologies. Nevertheless, the reliance on chemists’ intuition and experience in the traditional design of OFMs, coupled with the high cost and lack of scalability of conventional methods such as fluorescence detection and density functional theory (DFT) calculations, makes it difficult to keep up with the rapid development of the field. The advent of machine learning (ML) has introduced transformative possibilities, enabling data-driven exploration of the intricate relationships between molecular structures and fluorescence properties. Herein, we review the applications of ML in the innovative design of OFMs with an emphasis on the workflow of modeling, optical property prediction, and OFMs design. We also discuss the critical role of data curation and feature engineering in enhancing model performance. Our review provides an overview of commonly used models and assesses their efficacy. We critically examine key challenges such as database construction, model interpretability, and generalization ability, trying to provide a comprehensive framework that advances the integration of ML in the research of organic fluorescent materials, thereby facilitating the development of next-generation materials.

The escalating threats of antimicrobial resistance and monkeypox virus infections to public health necessitate innovative therapeutic approaches. Developing materials with balanced photodynamic and photothermal effects for broad-spectrum drug-resistant bacteria elimination and monkeypox virus inactivation remains challenging. Herein, we prepared a series of Nile Red derivatives by a donor rotation and charge enhancement strategy, identifying 5-(dicyanomethylene)-9-[4-(bis(4-methoxyphenyl)amino)phenyl]-7a,12a-dihydro-5H-benzo[a]phenoxazine (TPAOMCN)-featuring alkoxy-triphenylamine and malononitrile, as the optimal candidate. TPAOMCN demonstrated extended near-infrared absorption, enhanced intersystem crossing (ISC) efficiency, and intense molecular motions, enabling dual-modal phototherapy. Electrospun TPAOMCN nanofibers (NFs) with submicron-scale diameter achieved >50°C temperature elevation and 30-fold reactive oxygen species (ROS) generation under irradiation, yielding >99.9% eradication of multidrug-resistant pathogens and virus. In methicillin-resistant S. aureus (MRSA)-induced wound infection and Vaccinia virus-mediated tail-scarred models, TPAOMCN NFs effectively eliminated MRSA colonies and reduced viral load through physical disruption of pathogen membranes, thermal denaturation of viral capsids, and ROS-mediated biomolecule oxidation, while suppressing inflammation and accelerating angiogenesis-mediated tissue repair. This study not only established a molecular engineering strategy for Nile Red to achieve prime PDT-PTT performance but also provided a paradigm for advancing dual-functional phototherapeutic platforms against emerging antimicrobial threats and monkeypox virus infections.

Bioorthogonal cleavage chemistry (BCC) has been extensively applied to fluorescence-based imaging in cancer diagnostics. Its potential in chemiluminescence imaging is to be explored. In this study, a smart ruthenium (Ru)-catalyzed bioorthogonal activation chemiluminescence (BAC) probe is developed by integrating BCC with a phenoxy-adamantyl-1,2-dioxetane (PAD) for real-time, in vivo imaging of thiol-containing metabolites, particularly hydrogen sulfide (H 2S), associated with thiol dysregulation in the tumor microenvironment. The BAC probe overcomes many limitations existed in other chemiluminescence probes via a highly selective “Ru-locked” mechanism to achieve light-independent, thiol-triggered activation in complex tumor microenvironment. This mechanism enables rapid activation (1 min), high sensitivity (LOD = 0.243 μM), and stable luminescence with a half-life of 18.5 h, as determined in vitro, across a broad emission range (400-800 nm). The probe also demonstrates enhanced selectivity for thiol-containing metabolites, particularly H 2S, and exhibits low toxicity both in vitro and in vivo. In a breast cancer mouse model, the probe successfully visualizes endogenous H 2S with high spatial precision, supporting its utility in tumor localization and image-guided surgery. In addition, the PAD scaffolds are developed via an efficient synthetic route, significantly lowering production costs (300- to 400-fold) and increasing yields from 40% to 95%. Furthermore, our BAC probe holds a broad potential for non-invasive diagnosis and real-time monitoring of thiol dysregulation and pathophysiological processes.

The emergence of nonconventional luminescent materials (NLMs) has attracted significant attention due to their sustainable synthesis and tunable optical properties. Yet, establishing a clear structure-emission relationship remains a challenge. In this work, we report a previously unknown class of NLMs: cross-linked protein crystals that exhibit intense photoluminescence (PL) in the visible range (425–680 nm). We systematically investigated seven natural protein crystals (concanavalin, catalase, lysozyme, hemoglobin, α-chymotrypsin, pepsin, and β-lactoglobulin) cross-linked with glutaraldehyde and demonstrated that cross-linking induces broadband emission that is absent in natural crystals. Focusing on polymorphic lysozyme crystals (tetragonal, orthorhombic, monoclinic), we found excitation-dependent fluorescence with lifetimes in the nanosecond range and quantum yields up to 20% (in the monoclinic phase under 450 nm excitation). Single- and two-photon spectroscopy, as well as pressure- and solvent-modulated PL studies, confirm that the emission is due to intermolecular through-space interactions (TSI) within the crystal lattice. Compression enhances TSI and red-shifts the emission, whereas the solvent (DMSO) induced swelling reduces TSI and causes a blue shift, establishing a direct structure-emission correlation. This work establishes protein crystals as programmable NLMs with tunable emission and provides a mechanistic framework for the design of nonconventional luminogens through protein crystal engineering.

The development of nontraditional luminogens (NTLs) with superior photoluminescence (PL) properties is of great scientific and practical significance and has drawn rapidly growing interests in recent years. An extremely important but unresolved question is that are there any distinct differences in the structures and PL mechanisms between traditional luminogens (TLs) and NTLs. In this work, four dihydropyridine derivatives with strong non-aromatic through-bond conjugation (TBC) were designed and synthesized, and the influence of strong non-aromatic TBC and through-space conjugation (TSC) effects on their PL behaviors was studied. These compounds in solutions show significant concentration-dependent and excitation-dependent emissions, which are typical PL behaviors of NTLs. In solid state, the compounds show wide excitation spectra while narrow emission spectra, with high quantum yields up to 57.4%, but they do not show significant excitation-dependent emissions, similar to TLs. And very impressively, two kinds of crystals also exhibit optical waveguide property, which is the first report in NTLs. The UV-vis spectra, crystal structures and theoretical calculations prove the presence of large non-aromatic TBC interactions in these NTLs and strong non-aromatic TSC can be formed among the molecules which are in a planar conformation and stacked into layers through intermolecular hydrogen bonding and π⋅⋅⋅π interactions. The combined effect of strong non-aromatic TBC and TSC endow the compounds unique PL behaviors that are between those of TLs and NTLs, thus bridging the gap between TLs and NTLs.

Tau oligomers are recognized for their critical role in causing neuronal toxicity and synaptic dysfunction in a diverse array of neurodegenerative diseases collectively referred to as tauopathies. However, the discovery of drugs that specifically target tau oligomers has been impeded by the absence of appropriate screening methods. Here, we suggest a drug screening platform based on tau amyloid corona-shelled nanoparticles (TACONs) to assess the efficacy of tau oligomer-degrading compounds through aggregation-induced colorimetric responses of TACONs. TACONs were engineered via the encapsulation of gold nanoparticles (AuNPs) with homogeneous tau oligomers by leveraging heparin as a co-factor. Our TACON-based strategy harnesses two primary functions of AuNPs: (i) catalytic activators for the selective isolation of tau oligomers and (ii) optical reporters for quantifying colorimetric responses induced by tau oligomer-degrading agents. To validate this approach, we employed proteases that can degrade tau oligomers (protease XIV and plasmin) along with various small molecules known to aid in the treatment of tauopathies. Furthermore, we significantly enhanced screening efficiency by integrating a time-series deep learning architecture, enabling rapid identification of effective compounds within one hour. These results highlight the great potential of deep learning-assisted TACON-based drug screening platform as a powerful strategy for streamlining drug discovery in tauopathies.

Point-contact spectroscopy has been utilized to study SmFeAsO, the parent compound of the “1111” iron superconductors. A bias voltage drives the point contact through antiferromagnetic and structural transitions via the ballistic Joule heating effect. Surprisingly, the bias voltage also induces a hysteretic conductance only in the temperature range of the nematic order, while there is no such behavior in the temperature-dependent resistance. The larger the maximum bias voltage, the bigger the conductance changes in the hysteresis, but always exclusively in the nematic order regime. The voltage-driven conductance hysteresis, which is not affected by a magnetic field of 5 T, suggests the nematic order in the SmFeAsO sample may be from an electronic origin and can be controlled by a voltage.

Immunogenic cell death (ICD) has been demonstrated as a reliable approach to improve therapeutic effect in cancer treatment by triggering antitumor immunity. However, the trigger of ICD based on chemotherapy and phototherapy meets the obstacles of serious side effect and poor penetration ability, which seriously impedes the therapeutic effect. The development of sonodynamic immunotherapy with the evoking of ICD presents high promise for cancer treatment with high efficacy. Herein, high performance aggregation-induced emission (AIE) sonosensitizer is constructed based on the engineering structure modulation for sonodynamic-augmented immunotherapy. By regulating the intermolecular interaction and pull-push electronic effect, sonosensitizer bearing AIE feature and amplified sono-sensitizing effect is developed. In addition, in vitro observation demonstrated that thiolate-substituted segment incorporation endows the molecules with enhanced cellular uptake efficiency and improved tumor cell eradication ability. More importantly, the developed sonosensitizer could efficiently evoke ICD upon the trigger of ultrasound, which allows for the efficient tumor eradication both at cellular level and in solid tumor. The inhibition of primary tumor and further boost systemic immunity response with the complete elimination towards the distant tumor is achieved. The investigation highlights the promise of utilizing AIE sonosensitizers in sonodynamic immunotherapy to conquer the current limitation of immunotherapy in solid tumor treatment.

Alzheimer’s disease (AD) is one of the most prevalent forms of neurodegenerative diseases. Although some controversy exists, β-amyloid peptide (Aβ) is recognized to play an essential role in the pathophysiology of AD. The Aβ species are known to exist in various forms, including soluble monomers, oligomers, and insoluble aggregates. Despite extensive efforts to regulate Aβ aggregation, no successful medications have been developed to date. Among the various strategies for AD treatment, phototherapy, including photodynamic therapy (PDT), photothermal therapy (PTT), photopharmacology, and photobiomodulation (PBM) have attracted increased attention because of the spatiotemporal controllability. Representative examples of PDT, PTT, photopharmacology and PBM are discussed in terms of inhibitory mechanism, the unique properties of materials, and the design of phototherapy modulators. The major challenges of phototherapy against AD are addressed and the promising prospects are proposed. It is concluded that the noninvasive light-assisted approaches will become a promising strategy for intensifying the modulation of Aβ aggregation or promoting Aβ clearance and thus facilitating AD treatment.

Electronic excited state in molecular aggregate or exciton states continue to attract great attentions due to the increasing demands for applications of molecular optoelectronics and sensing technology. The working principle behind the application is closely related to the excited state structure and dynamic processes in molecular aggregate. In our previous review article (Aggregate 2021; 2: e91), we had focused more on the molecular mechanism for aggregation induced emission (AIE) process. Here, we are going to summarize our recent progresses on theoretical investigations on the effects of excitonic coupling ( J) and the intermolecular charge transfer (CT) on the excited state structure and dynamic processes. These are in general missing for molecular quantum chemistry studies. We will first present a novel definition of exciton coherence length which can present a bijective relation with the radiative decay rate and obviously we have clarified the confusions appeared in literature. Then, we will look at the CT effect for aggregate starting from a simple three-state model coupled with quantum chemical calculation for molecular dimer and we focus on the intensity borrowing which can turn H-aggregate into emissive when the electron transfer and hole transfer integrals possessing the same sign and being large enough. We are able to propose a molecular descriptor to design molecular materials possibly possessing both high PLQY and carrier mobility. Finally, we introduced our work on the modified energy gap law for non-radiative decay rate in aggregate. We found there exist optimal J to minimize the non-radiative decay loss.

Postoperative pain and tumor recurrence are critical challenges following malignant tumor resection. To address these issues, we developed a supramolecular gel delivery system loaded with ropivacaine microcrystals (RopC Gel). Using PEG400 as the solvent, we successfully screened and identified matrix materials capable of forming supramolecular hydrogels through a heating-cooling process. By strategically leveraging the hydrophilic and hydrophobic properties of the gel matrix, we controlled its mechanical strength and degradation rate by adjusting the ratio of hydrophilic to hydrophobic components, resulting in a degradable, injectable, and self-healing gel delivery system. In both rat plantar incision and mouse tumor resection pain models, RopC Gel provided long-lasting analgesia for up to five days. Notably, tumor-resected mice treated with RopC Gel demonstrated extended survival and slower tumor progression. Further in vitro and in vivo experiments revealed that RopC Gel affects mitochondrial function by promoting the accumulation of reactive oxygen species in tumor cells, inducing pyroptosis, stimulating immunogenic cell death (ICD), and activating anti-tumor immune responses. This work offers an innovative solution for postoperative tumor resection management. Additionally, the controllable degradation properties outlined in this study provide an efficient strategy for the controlled release of multiple drugs, with potential for widespread clinical applications.