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Exploring Potential Energy Surfaces for Aggregation‐Induced Emission ‐ from Solution to Crystal
摘要： Aggregation-induced emission (AIE) is a phenomenon where non-luminescent compounds in solution become strongly luminescent in aggregate and solid phase. It provides a fertile ground for luminescent applications that has rapidly developed in the last 15 years. In this review, we focus on the contributions of theory and computations to understanding the molecular mechanism behind it. Starting from initial models, such as restriction of intramolecular rotations (RIR), and the calculation of non-radiative rates with Fermi’s golden rule (FGR), we center on studies of the global excited-state potential energy surfaces that have provided the basis for the restricted access to a conical intersection (RACI) model. In this model, which has been shown to apply for a diverse group of AIEgens, the lack of fluorescence in solution comes from radiationless decay at a CI in solution that is hindered in the aggregate state. We also highlight how intermolecular interactions modulate the photophysics in the aggregate phase, in terms of fluorescence quantum yield and emission color.
关键词： intermolecular interactions,aggregation-induced emission,conical intersections,potential energy surfaces
更新于2025-09-23 15:22:29
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Squaraine dyes: interaction with bovine serum albumin to investigate supramolecular adducts with aggregation-induced emission (AIE) properties
摘要： Bovine Serum Albumin (BSA)–squaraine supramolecular adducts with aggregation-induced emission (AIE) properties were prepared and characterized by spectroscopic methods. While squaraine dyes showed very low fluorescence quantum yield in water, a great enhancement in the fluorescence of the aggregated BSA adducts was achieved due to the abnormal aggregation-induced emission properties of squaraines. The adducts formation was studied from a kinetic point of view showing unexpected structure-properties relationships.
关键词： squaraines,supramolecular adducts,Bovine Serum Albumin (BSA),kinetics,Aggregation-induced emission (AIE)
更新于2025-09-23 15:22:29
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Identification of Potent Caspase-8 Inhibitors from a Library of Fluorescent Natural Products Screened by an AIEgen-based Light-up Probe
摘要： Fluorescent natural products are a rich source of drugs and chemical probes. But their inborn fluorescence may interfere with the fluorescence-based screening assays. Caspase-8 is a key player in apoptosis. Inhibition of caspase-8 found to be beneficial for inflammatory and neurodegenerative diseases. But its small molecular inhibitors remain sparsely reported. In this study, we firstly developed a caspase-8 targeting light-up probe based on an AIEgen. This fluorescent dye has a Stokes shift of 200 nm which could avoid the inborn fluorescence signal of natural products. When screening a library of 86 fluorescent natural products, we found for the first time Gossypol showed potent inhibition towards caspase-8 in vitro and in situ. This unique kind of light-up probe coupled with colored natural products could be an efficient way in the hit discovery for druggable targets.
关键词： natural product,aggregation-induced emission,inhibitor screening,caspase-8,fluorescence
更新于2025-09-23 15:22:29
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AIE-active Metal-organic Coordination Complexes Based on Tetraphenylethylene Unit and Their Applications
摘要： Tetraphenylethylene (TPE) and its derivatives, as the widely used aggregation-induced emission (AIE) fluorophores, have attracted rapidly growing interest in the fields of material science and biological technology due to their unique light-emitting mechanism—they are nearly non-emissive in dilute solution but emit brilliant fluorescence in the aggregate state because of the restriction of intramolecular motion. Coordination-driven self-assembly, which provides a highly effective method to put the individual chromophores together, is consistent with the AIE mechanism of TPE. During the past few years, some AIE-active metal-organic coordination complexes have been successfully constructed via coordination-driven self-assembly, and their AIE properties and applications have been investigated. In this review, we survey the recent progress on TPE-based metal-organic coordination complexes and their applications in fluorescence sensors, cell imaging, and light-emitting materials. We will introduce them from three different types of structures: metallacycles, metallacages, and metal-organic frameworks (MOFs).
关键词： Tetraphenylethylene,Self-assembly,Aggregation-induced emission,Sensor,Metal-organic coordination complexes
更新于2025-09-23 15:22:29
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Aggregation-amplified circularly polarized luminescence from axial chiral boron difluoride complexes
摘要： The development of small organic molecules with intense and switchable circularly polarized luminescence (CPL) is currently attracting great interest due to their promising applications in chiroptical devices and sensors. In this paper, CPL-active BF2-bridged azaanthracene dimers (BA1 and BA2) were facilely synthesized by incorporating boron difluoride unit to the bi-naphthalene. BA1 and BA2 show moderate CPL in diluted solutions, however, BA2 exhibited aggregation-amplified red CPL with large dissymmetry factor up to 1.6×10?2. Moreover, acid-/base-triggered CPL switch off/on were also realized via disaggregation/aggregation of BA2 in tetrahydrofuran (THF)/water binary solvents.
关键词： aggregation-induced emission,bodipy,circularly polarized luminescence,switch,dyes and pigments
更新于2025-09-23 15:22:29
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Dual-responsive doxorubicin-conjugated polymeric micelles with aggregation-induced emission active bioimaging and charge conversion for cancer therapy
摘要： In recent years, intelligent polymeric micelles with multi-functions are in urgent demand for cancer diagnosis and therapy. Herein, pH and redox dual-responsive prodrug micelles with aggregation-induced emission (AIE) active cellular imaging and charge conversion have been prepared for combined chemotherapy and bioimaging based on a novel doxorubicin-conjugated amphiphilic PMPC-PAEMA-P (TPE-co-HD)-ss-P (TPE-co-HD)-PAEMA-PMPC copolymer. The doxorubicin is conjugated via a pH cleavable imine linkage and can be packed in the hydrophobic core along with the glutathione (GSH)-sensitive disulfide bond. The DOX-conjugated inner core is sealed with a pH-responsive PAEMA as the “gate”, which would rapidly open in the acidic condition, following the drug release and charge conversion-mediated acceleration of endocytosis. After an efficient internalization, the disulfide bond can be cleaved by the high concentration of GSH causing the further accelerated drug release. Meanwhile, intracellular drug delivery can be traced due to the AIE behavior of micelles. Moreover, great tumor inhibition in vitro and in vivo has been demonstrated for these DOX-conjugated micelles. This smart prodrug micelle system would be a desirable drug carrier for cancer therapy and bioimaging.
关键词： polymeric micelles,charge conversion,aggregation-induced emission,dual-responsive,cancer therapy
更新于2025-09-23 15:21:21
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Aggregation-induced Emission Polymers for High Performance PLEDs with Low Efficiency Roll-off
摘要： As the congener of organic light-emitting diodes, polymeric light-emitting diodes (PLEDs) possess a number of distinct merits such as low-cost wet fabrication process, which enable them applicable in large-area flexible display and lighting fields. However, most emissive polymers used in PLEDs suffer from the aggregation-caused quenching (ACQ) effect, which makes the device show large efficiency roll-off. In this work, two polymers of pTPE-TPA-Cz and pTPE-TPA-Flu featuring aggregation-induced emission (AIE) characteristics were facilely synthesized through Suzuki-Miyaura polycoupling reaction by incorporating the AIE unit of TPE-TPA in their main chains. The resultant polymers possess good film-forming ability, excellent thermal stability and high photoluminescence quantum yields (PLQY) in their film states, facilitating the fabrication of PLEDs through solution process. Indeed, the PLEDs using pTPE-TPA-Cz and pTPE-TPA-Flu as emitting layers (EMLs) could achieve a maximum external quantum efficiency (EQE) of 3.26% (doped EML) and current efficiency of 3.69 cd A-1 (non-doped EML). Notably, all the devices exhibit a quite low efficiency roll-off. This work indicates that AIE polymers are ideal candidates for the construction high performance PLEDs with low efficiency roll-off.
关键词： Aggregation-induced emission,Photoluminescence quantum yields,Solution process,Efficiency roll-off,Polymeric light-emitting diodes
更新于2025-09-23 15:21:01
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Aggregation-Induced Emission-Based Polymer Materials: Ratiometric Fluorescence Responses Controlled by Hydrostatic Pressure
摘要： Dual fluorescence materials that exhibit controllable ratiometric changes in response to various external stimuli have attracted much attention from the viewpoints of applied material science and sensing/imaging technologies in interfaces. In the present study, we found fluorescence polymers based on aggregation-induced emission (AIE) characters. The functional AIE polymers can be converted to ratiometric fluorophores upon electronic excitation, and subsequently, their optical/photophysical properties can also be regulated by hydrostatic pressure or isotropic mechanical force. The degree of substitution (DS) of AIE branches on the polymer backbone plays critical roles in influencing the pressure-induced ratiometric fluorescence responses. The present study provides significant guidelines for developing AIE-based smart applied materials to response in hydrostatic pressure.
关键词： fluorescence spectroscopy,excited-state behavior,polyethylene,hydrostatic pressure,aggregation-induced emission,luminescence materials
更新于2025-09-23 15:21:01
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Tetraphenylethylene Substituted Thienothiophene and Dithienothiophene Derivatives; Synthesis, Optical Properties and OLED Devices
摘要： Thieno[3,2-b]thiophene (TT) and dithieno[3,2-b;3,2-d]thiophene (DTT) have drawn an immense attention in the field of electronics and optoelectronics. In this work, first examples of TTs (TPE2-TT, TPE3-TT) and DTT (TPE2-DTT), having tetraphenylethylene (TPE) at the peripherals for aggregation induced emission (AIE) applications at OLEDs, were designed and synthesized by Suzuki coupling reaction. Their properties were investigated through experimental and computational studies, as well as X-ray diffraction and DFT-optimization. TPE2-TT produced an excellent device performance with a maximum luminance of 11620 cd m-2, a maximum current efficiency of 6.17 cd A-1 and maximum external quantum efficiency of 2.43%. Moreover, these synthetically easy accessible molecules had high thermal stability, which make them perfectly suitable for optical applications.
关键词： Tetraphenylethylene,Aggregation Induced Emission,Dithieno[3,2-b;3,2-d]thiophene,Thieno[3,2-b]thiophene,OLED
更新于2025-09-23 15:21:01
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Purine-based thermally activated delayed fluorescence emitters for efficient organic light-emitting diodes
摘要： Organic fluorescent materials possessing thermally activated delayed fluorescence (TADF) characteristics have attracted tremendous attention. Herein, two TADF emitters (1PXZP and 2PXZP) based on a novel biological base acceptor of 9-methylpurine and commonly used donor of phenoxazine (PXZ) have been successfully synthesized and characterized. Both target compounds possess nearly orthogonal configurations to reduce singlet-triplet splitting energy (ΔEST) for remarkable TADF character. The two emitters show good photoluminescence quantum yields (PLQYs), and thus the organic light-emitting diodes employing 1PXZP and 2PXZP as emitters display good performance with maximum external quantum efficiencies of 10.6% and 13.8%, respectively. The efficiencies of 1PXZP based device show nearly no roll-off at 100 cd m-2 luminance due to the short delayed lifetime (τd) of 3.2 μs. This work manifests that the biological base is a promising acceptor for designing TADF materials.
关键词： Thermally activated delayed fluorescence,organic light-emitting diode,aggregation-induced emission,purine
更新于2025-09-23 15:21:01