Cyanide Research Articles

A Versatile Method for Preparation of BrCOFs Aerogels and Efficient Functionalization via Suzuki–Miyaura Reaction

AbstractCovalent organic frameworks (COFs) aerogels solve the restrictions on processability and application caused by the insolubility and non‐fusibility of powders while avoiding the inaccessibility of pore structures by dense stacking. At the current start‐up stage where COFs aerogels are scarce and difficult to synthesize, design of generalized synthetic methods play an indispensable role in guiding and developing COFs aerogels. Moreover, evolving the functionality of COF aerogels is equal vital, which achieves higher performance and broader practical applications. In this work, for the first time, processable BrCOFs aerogels have been synthesized without vacuum by seven kind polar solvents, which realizes general preparation of BrCOFs aerogels. It is extremely friendly to the inapplicability for some scenarios. Furthermore, by Suzuki‐Miyaura cross‐coupling reaction, BrCOFs aerogels are endows with cyano groups (‐CN), trifluoromethyl (‐CF3) and methyl sulfonyl (‐SO2‐CH3) efficiently. As a proof‐of‐concept, BrCOFs‐SO2‐CH3 aerogels served as a quasi‐solid electrolyte for lithium‐metal batteries (LMBs), which effectively enhance the performance of batteries.

2-Amino-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

The crystal structure of the title compound, C14H12N2O2S, reveals two symmetrically independent molecules within the asymmetric unit. Each molecule contains a chromenone core attached to a 2-thiophene ring, cyano, and amino groups. The 2-thiophene ring of one of the two molecules in the asymmetric unit was found to be disordered over two positions, with the major component having a site occupancy factor of 0.837 (2). The 2-thiophene ring is nearly orthogonal to the fused 4H-pyran ring, with dihedral angles between the two sets of planes being 89.5 (5) and 89.63 (8)°. Intermolecular hydrogen bonding, involving N—H...N and N—H...O interactions, creates two distinct motifs leading to the formation of a two-dimensional supramolecular network along the crystallographic ac plane.

High Permittivity Electroluminescence Coating for Improving Flashover Strength and Visualizing Surface Defects

Abstract In gas-insulated switchgear (GIS), the metallic particles on spacers initiate discharges and significantly reduce flashover strength. It is crucial to sensitively detect the surface defects and improve the flashover strength. In this work, a high permittivity electroluminescence coating, with ZnS:Cu as fillers and cyanoethyl cellulose (CEC) as polymer matrix was developed to improve flashover strength and visualize surface defects. The dielectric constant, flashover strength, and electroluminescence properties of ZnS:Cu/CEC coatings with different concentration of ZnS:Cu fillers were tested and the underlying mechanism was investigated. Due to the strong-polarity cyanide group in CEC and the effect of ZnS:Cu fillers on polymer chains, a high-permittivity coating was obtained, which can effectively mitigate the electric field distortion on spacers, and improve the flashover performance. For the basin insulator, maximum increments of flashover strength were realized by doping 12.5 wt% ZnS:Cu fillers, with 11.36%, 31.22%, and 5.83% improvements in air, 0.3 MPa air, and SF6 gas respectively. Moreover, the electroluminescence coating can effectively indicate the location of defects and the distribution of electric field on the surface of insulators. This paper provides a new insight into the electroluminescent materials used in non-destructive self-testing of surface defects and enhancement of flashover strength.

Cyanide and Cyanogenic Compounds—Toxicity, Molecular Targets, and Therapeutic Agents

Cyanide (CN) is a well-known mitochondrial poison. CN poisoning may result from acute or long-term exposure to a number of CN compounds. Recent insight into the chemical affinities of the CN anion has increased our understanding of its toxicity and the mechanisms of antidotal actions, which, together with information on various exposure sources, are reviewed in the present article. A literature search in Scopus, Embase, Web of Science, PubMed, and Google Scholar for the period 2001–2024 revealed that the CN anion after exposure or degradation of CN compounds is distributed to vulnerable copper and iron-containing targets, especially in mitochondria, thus blocking the electron transport chain. Intake of cyanogenic compounds may exert subacute or chronic toxic effects, also because of the interaction with cobalt in vitamin B12. Antidotal agents exert their effects through the affinity of CN for cobalt- or iron-containing compounds. Research on CN interactions with metalloproteins may increase our insight into CN toxicity and efficient antidotal regimens.

Exploring the Photocatalytic Cleavage Pathway of the β-5 Linkage Lignin Model Compound on Carbon Nitride.

As a globally abundant source of biomass, lignocellulosic biomass has been the centre of attention as a potential resource for green energy generation and value-added chemical production. A key component of lignocellulosic biomass, lignin, which is comprised of aromatic monomers, is a potential feedstock for value added chemical production. The cleavage processes of the linkages between monomers to obtain high value products, however, requires significant investigation as it is a complex, non-facile process. This study focuses on the photocatalytic valorization of a β-5 lignin model compound, a key linkage in the lignin structure. It was found that greater yields of aromatic products were obtained from the photocatalytic conversion of β-5 lignin model compound using carbon nitride (CN) when compared to Evonik P25 titanium dioxide (TiO2). Products of the β-5 model compound photocatalytic conversion were determined and C-C bond cleavage was observed. It was also determined that the solvent participated in the reactions with the introduction of a cyano group to one of the products. Radical quenching experiments revealed that superoxide radicals participated in the CN photocatalytic conversion. These results reveal for the first time the products and possible mechanism of the photocatalytic transformation of β-5 model compounds using CN photocatalysis.

Overcoming Copper Reduction Limitation in Asymmetric Substitution: Aryl-Radical-Enabled Enantioconvergent Cyanation of Alkyl Iodides.

Cu-catalyzed enantioconvergent cross-coupling of alkyl halides has emerged as a powerful strategy for synthesizing enantioenriched molecules. However, this approach is intrinsically limited by the weak reducing power of copper(I) species, which restricts the scope of compatible nucleophiles and necessitates extensive ligand optimization or the use of complex chiral scaffolds. To overcome these challenges, we introduce an aryl-radical-enabled strategy that decouples the alkyl halide activation step from the chiral Cu center. We demonstrate that merging aryl-radical-enabled iodine abstraction with Cu-catalyzed asymmetric radical functionalization enables the conversion of racemic α-iodoamides to enantioenriched alkyl nitrile products with good yield and enantioselectivity. The rational design of chiral ligands identified a new class of carboxamide-containing BOX ligands. Mechanistic studies support an aryl-radical-enabled pathway and the unique hydrogen-bonding ability in the newly designed BOX ligands. This aryl-radical-enabled asymmetric substitution reaction has the potential to significantly expand the scope of Cu-catalyzed enantioconvergent cross-coupling reactions.

Marine Gastropod Planaxis sulcatus (Born, 1778) of Uvari Coastal Waters: A Comprehensive Study on Its Antibacterial Activity, Biochemical Composition and FTIR Spectroscopy

Diverse nutritional profiles and potent antimicrobial properties distinguish marine gastropods from other members of the phylum Mollusca. This study targets the investigation of the antibacterial activity, biochemical and FTIR analysis of ethanol extracts of marine gastropod mollusc Planaxis sulcatus. The well diffusion method was used to carry out the antibacterial assay. The extract showed the maximum inhibition (21±2 mm inhibitory zone) against the human bacterial pathogen S. aureus, whereas K. pneumonia showed the lowest susceptibility (12 mm). The extracts had MIC values between 0.21 and 1.04 mg/ml. The biochemical assay's findings revealed that the majority of the snail's flesh (51%) is made up of protein, with only 5% of the mass coming from carbohydrates and very trace amounts of fat (0.2%). The FTIR analysis represents the presence of alkyl halides, nitro compounds, aromatic compounds, alkynes, nitriles, carboxylic acid, aldehyde, alkanes and alcohol in the gastropod extracts. The aforementioned observational result demonstrates the abundance of antibacterial substances in the gastropod extracts. Further research is necessary to fully understand the structural composition of the antibacterial substances found in this marine snail.

Novel Ratiometric Surface-Enhanced Raman Scattering (SERS) Biosensor for Ultrasensitive Quantitative Monitoring of Human Carboxylesterase-1 in Hepatocellular Carcinoma Cells Using Ag-Au Nanoflowers as SERS Substrate.

In this study, we developed ratiometric surface-enhanced Raman scattering (SERS) biosensors using Ag-Au alloy nanoflowers as SERS substrates, molecules having amide bonds and alkyne groups (Tag A) as Raman reporters, and sodium thiocyanate as an internal standard molecule (Tag B) for the sensitive detection of human carboxylesterase-1 (hCE1) in HepG-2 cells. The correlation between HepG-2 cell damage and hCE1 activity levels was investigated. Both Tag A's alkyne group and Tag B's cyanide group produced characteristic SERS signals in the Raman-silent region (I2000cm-1 and I2115cm-1, respectively). The hydrolysis of the amide bond in Tag A via hCE1 and the shedding of the alkyne group led to a reduction in the SERS signal intensity observed at I2000cm-1. Conversely, the SERS signal intensity of Tag B at I2115cm-1 exhibited a consistent pattern. As the activity level of hCE1 and the ratiometric peak intensity (I2000cm-1/I2115cm-1) correlated negatively, hCE1 could be quantitatively detected within the range of 10-2 to 2 × 102 ng·mL-1, with a detection limit of 7.3 pg·mL-1. The ratiometric SERS probe strategy, in which a ratio response is employed, permits sensitive and reproducible SERS detection by facilitating intrinsic calibration to rectify signal fluctuations resulting from temporal and spatial variations in the detection conditions. Concurrently, the implementation of Raman-silent region reporter molecules mitigates the interference from endogenous biomolecules in SERS measurements and offers a novel approach for achieving highly sensitive and interference-free detection of intracellular hCE1.

Synthesis of 2-Amino-4-arylazulenes from 8-Aryl-2H-cyclohepta[b]furan-2-ones and Transformation into 6-Aryl-7H-naphth[3,2,1-cd]azulen-7-ones.

2-Amino-4-arylazulene derivatives were prepared from 8-aryl-2H-cyclohepta[b]furan-2-ones, which were converted into 6-aryl-7H-naphth[3,2,1-cd]azulen-7-ones through a several step process. The reaction of 8-aryl-2H-cyclohepta[b]furan-2-ones bearing an ester group at the 3-position with malononitrile in the presence of triethylamine afforded 2-amino-4-arylazulenes. The prepared 2-amino-4-arylazulenes were converted to the corresponding 2-chloro derivatives by the Sandmeyer reaction, which were subsequently transformed into 2,4-diarylazulenes by Suzuki-Miyaura coupling with various aryl boronic acids. 2,4-Diarylazulenes underwent intramolecular cyclization between aryl and cyano groups by Brønsted acid to give 6-aryl-7H-naphth[3,2,1-cd]azulen-7-ones. UV/vis spectral analysis revealed that 6-aryl-7H-naphth[3,2,1-cd]azulen-7-one with a N,N-dimethylaminophenyl group at the 6-position exhibited a broad and strong absorption band in the visible region due to intramolecular charge transfer. Furthermore, 6-aryl-7H-naphth[3,2,1-cd]azulen-7-ones exhibited halochromism in 30% CF3CO2H/CH2Cl2. Although fluorescence was not observed in solution, 8-aryl-2H-cyclohepta[b]furan-2-ones with an ester function were found to fluoresce in the solid state. 6-Aryl-7H-naphth[3,2,1-cd]azulen-7-ones also displayed spectral changes with good reversibility under the electrochemical redox conditions.

Coordination-Induced Magnetism Strategy for Highly Selective and Efficient Uranium Separation.

Highly efficient separation of dispersed uranium is important for the sustainable development of nuclear industry, and adsorption is the most recognized approach. However, there are many coexisting interfering metal ions that compete with uranyl ion for the chelating ligands in the adsorbents and lead to low separation selectivity and efficiency. Herein, a coordination-induced magnetism strategy is presented for the separation of uranium based on the conversion of diamagnetic cyanoferrocene (Fc-CN) nanocrystals to uranium-containing magnetic recoverable ferromagnetic aggregates. Different from previous adsorption strategies, this strategy combines the mechanisms of photocatalytic uranium enrichment and chemical uranium adsorption. Under light irradiation, electron of Fe(II) in Fc-CN is excited and transfers to uranyl ion via the cyano group to form tight coordination bond between N atom in cyano group and uranium. This phenomenon is unique for uranyl ion, and thus, a high uranium removal rate of 97.98% is achieved in simulated nuclear wastewater with the presence of tremendous interfering ions, proving its highly selective and efficient uranium separation performance. The ability to form highly stable magnetic aggregates via photoinduced interaction between Fc-CN and uranium enriches the understanding on the chemical properties of Fc-CN and uranium.

Synthesis of Chromene-linked Bis-indole Derivatives as Selective Tumor-associated Carbonic Anhydrase IX Inhibitors.

Sulfonamide derivatives are well-reported hCA IX inhibitors; however, they inhibit all types of hCA without any selectivity, leading to severe adverse effects. Hence, developing a novel nonsulfonamide class of tumor-associated hCA IX inhibitors through non-classical inhibition may provide greater selectivity and better pharmacokinetics. The objective of this study was to develop non-sulfonamide derivatives as potential human carbonic anhydrase (hCA) inhibitors and develop a new series of chromene-linked bis-indole derivatives. We synthesized and characterized the chromene-linked bis-indole derivatives and further evaluated them against four hCA isoforms, i.e., hCA I, hCA II, hCA IX, and hCA XII, and determined the ADMET parameters by the In-silico method. Most of the compounds showed significantly greater affinity and selectivity towards the tumorassociated hCA IX over other hCA isoforms within the lower micromolar to submicromolar range. In particular, the bromo-substituted bis-indole derivative 6t showed an excellent inhibition of hCA IX isoform with an affinity (Ki) of 2.61 μM. In contrast, the cyano group substituted bis-indole derivative 6s and also displayed a strong inhibition of hCA IX isoform with an affinity (Ki) of 2.73 μM. Many other potential candidates, including 6g, 6i, 6k, 6m, 6o, 6p, and 6r, showed higher affinity at tumor-associated hCA IX with lower than 10 μM compared to other hCA isoforms. Therefore, the chromene-linked bis-indole derivatives can serve as a novel non-sulfonamide class of tumor-associated hCA IX inhibitors.

Unveiling a Novel Mechanistic Pathway: Thiol and DMSO‐Facilitated Synthesis of Pyrazole Amine Thioether

ABSTRACTThe present protocol shows a novel and greener approach for synthesizing pyrazole amine thioether, employing thiophenol, 3‐aminocrotononitrile, and phenylhydrazine hydrochloride. Notably, this methodology deviates from the literature report in making thioether derivatives using oxidant‐free and room‐temperature conditions. Based on the control experiments, it was found that the thioether link in the intermediate facilitated the 5‐exo‐dig cyclization reaction exclusively in the DMSO solvent. This is probably due to the nitrile group's activation by the structure's thioether moiety. The control experiment demonstrates the significance of the thioether compound in the reaction. Without any oxidizing agent, introducing thioether in any heterocyclic compound is not possible, as per the literature reports. Our reaction showed excellent tolerance by involving various phenylhydrazine hydrochloride and thiophenol compounds, allowing for the synthesis of various pyrazole amine thioether derivatives in good to excellent yields. The reaction follows the 5‐exo‐dig cyclization strategy.

Selective Detection of Cyanide Ion Using Mechno-Chemical Synthesized Fluorophore: 3-(4-(diphenylamino)phenyl)-1-(phenyl)prop-2-en-1-one

A novel probe has been developed to find the cyanide ion pollutant in our environment. A new chalcone analog (E)-3-(4- (diphenyl amino) phenyl)-1-(phenyl) prop-2-en-1-one was synthesized by solvents free mechano-chemical method. To detect numerous anions (CN−, F−, Cl−, Br−, NO3−, SO42−, PO43−, OH−, OAc−) in the DMSO medium, the probe's sensing capabilities were tested using UV-Vis absorption and fluorescence spectroscopy methods. The probe exhibited selectivity and sensitivity towards cyanide ions (CN−) in the presence of the various analytes. The interaction energies with the same anions and their sensing behavior through density functional theory (DFT) calculations were reported. The chalcone derivatives' higher electron affinity accelerates, which can also boost the compound's reactivity to cyanide anions following the intramolecular charge transfer (ICT) mechanism.

A simulation study of microstructure and dynamics of dual-functionalised imidazolium based ionic liquids (DFILs)

ABSTRACT We studied the liquid structures and dynamics of a series of dual-functionalised ionic liquids (DFILs) by Md simulations. The studied DFILs consist of functionalised imidazolium cations with a nitrile group and varying lengths of ether side chains, paired with bis(trifluoromethyl sulfonyl) imide anions, denoted as [C2CNIm(EtO)nMe][Tf2N]. We instigated distribution functions, Voronoi tessellation, and cluster analysis, to probe the liquid structures. Furthermore, we explored dynamic properties such as mean-square displacements (MSD), self-diffusivity coefficients, hydrogen bonding, ion pairing, and ion cage effects. Our findings revealed a correlation between the length of the ether side chains and the density of the studied DFILs when the longer side chains lead to a decreased density. Calculated partial radial distribution functions (PRDF) of ether side chains of the cations demonstrated a tendency for self-aggregation as the chain length increased. The combined distribution functions diagrams show that the hydrogen bond between ions is more pronounced for cations with smaller side chains. Anions displayed higher diffusivity than the cations, and among the cations, [C2CNIm(EtO)6Me]+ has the lowest diffusion coefficient. Various methods evaluated the micro-heterogeneity dynamics of DFILs.

Preparation of High-efficient Donor-π-Acceptor System with Crystalline g-C3N4 as Charge Transfer Module for Enhanced Photocatalytic Hydrogen Evolution

Donor-π-acceptor (D-π-A) type photocatalysts with g-C3N4 as π-module have attracted much attention due to their optimized conjugate structure and enhanced electron directed driving. However, the inefficient charges migration of g-C3N4 due to its amorphous or semi-crystalline structure and limitation of available functional groups are present challenges. In this work, the D-π-A type high crystalline carbon nitride (HCCN) has been obtained by in-situ introducing amide and cyanide groups into the high-crystallinity melon framework. The synergistic effect of functional group modification and crystallinity regulation greatly enhances the electron induction driving and charge carrier density. Moreover, the density functional theory calculations demonstrate that the D-π-A structure could induce the local charge distribution of melon units to provide a unique and stable pathway for photoinduced charges migration. The as-prepared HCCN sample shows a superior visible-light photocatalytic performance for hydrogen evolution with an apparent quantum efficiency (AQE) of 12.2% at 420 ± 15 nm, which is 23.7 times higher than that of original g-C3N4. Finally, the charge separation and transfer processes as well as the possible photocatalytic reaction mechanisms of HCCN sample are also investigated.

Novel isocyanobenzene carbazole-based thermally activated delayed fluorophors towards solution-processed blue emitting OLED devices with high efficiency

Achieving efficient blue emission is an exigent challenge for the application of thermally activated delayed fluorescent organic light-emitting diodes (TADF-OLEDs). Carbazole benzonitrile-based TADF molecules exhibit promising performance in achieving the goal. Here, by replacing the cyano group in the sensitizer with the isocyano group, a 9 nm hypochromatic shift in photoluminescence spectra of the sensitizer and an enhanced efficiency of the Förster energy transfer (FET) in TADF-sensitized fluorescence (TSF) is found. By using the isocyano-based compounds as sensitizers, a maximum external quantum efficiency of 24.5% is obtained in solution-processed OLEDs, surpassing the cyano-based counterparts with similar structures. Moreover, the full width at half maximum (FWHM) of the emitter in the electroluminescence spectrum is also decreased from 47 nm to 38 nm, indicating a more complete energy transfer.

Synthesis of cubic mesoporous silica SBA16 functionalized with carboxylic acid in a one-pot process for efficient removal of wastewater containing Cu2+: Adsorption Isotherms, Kinetics, and Thermodynamics

Wastewater containing heavy metal ions, such as Cu2+, that are released into the environment will cause irreparable damage to the nature and human health of living. It is, therefore, absolutely crucial to remove these toxic ions from water. Herein, this paper utilizes the cyano group as a functional reagent to prepare carboxyl-functionalized SBA16 for adsorbing Cu2+ in water. In this paper, 2-cyanoethyltriethoxysilane is employed as a functionalizing reagent to prepare carboxyl-functionalized SBA16 through a one-pot method. The prepared material was characterized using various techniques, such as WXRD, TEM, FT-IR, and XPS. The results indicated that the introduction of the functionalizing reagent did not disrupt the original cage-like cubic mesoporous structure (Im3m symmetry) of SBA16. Crucial adsorption factors, namely pH, adsorbent dosage, Cu2+ initial concentration, and contact time, affecting the removal of Cu2+ were monitored and the optimum adsorption conditions were determined. Isotherm and kinetic investigations were conducted and a non-linear fitting method of experimental data was used to obtain isotherm and kinetic parameters. Maximum adsorption capacity reaches 181.3 mg g-1 was achieved in 60 min at pH=3. Adsorption kinetics and adsorption isotherm followed the pseudo-second-order (R2=0.999) and Langmuir (R2=0.999) models, respectively. This suggests that the adsorption process primarily involves chemisorption and monolayer coverage. Thermodynamic parameters showed the spontaneous and endothermic nature of the adsorption process. After 5 cycles, the adsorbent still maintains a good adsorption capacity for Cu2+. This suggests promising applications for the adsorbent in treating wastewater containing Cu2+.

Alkali-decorated carbon nitride enhances the removal of enrofloxacin by ferrihydrite-H2O2 system: Mechanistic insights and degradation pathways

Antibiotic pollution affects water quality. Based on the ferrihydrite-H2O2 (Fh-H2O2) photo-Fenton system, alkali-decorated carbon nitride was introduced, and KC3N4/Fh, with ·OH and ·O2− as the primary reactive oxygen species, was synthesized for the degradation of veterinary antibiotic enrofloxacin in water. The modification with KOH induced the formation of cyano groups and nitrogen vacancies in KC3N4/Fh. The presence of cyano groups altered the original charge distribution and energy band structure of the material, thereby establishing an internal electric field. Directed driving of nitrogen vacancies accelerated the transfer of photogenerated charges from the conduction band of KC3N4 to the surface of Fh, facilitating the cycle process of Fe(III) and Fe(II). Meanwhile, the nitrogen vacancies significantly enhanced the adsorption capacity of KC3N4/Fh for H2O2 and accelerated the reaction between the generated Fe(II) and H2O2 to produce ·OH, which subsequently led to the efficient degradation and mineralization of enrofloxacin. The results demonstrated that the degradation rate of enrofloxacin by KC3N4/Fh reached 95.96 % within 30 min, highlighting its high efficiency and stability. Furthermore, KC3N4/Fh exhibited effective degradation of actual effluent under sunlight. This work proposes a novel approach to creating a Fh-H2O2-based photo-Fenton system for the efficient antibiotic degradation.

Solvation structure manipulation of ester-based electrolyte by acetonitrile additive enables high-capacity and stable K-storage for phenazine-based anode

Potassium ion batteries configured with organic electrode materials show promising applications due to the advantages of low cost and high theoretical capacity. Nevertheless, the design of electrolytes compatible with organic anodes and the resolution of the issue of uniform deposition of highly active potassium remain significant challenges. In this study, an engineering strategy was proposed to employ additives with electron-rich nitrile group in order to modulate the properties of ester-based electrolytes. It was found that acetonitrile (AN) can change the cation solvation structure, which determines the interfacial behavior of the K-solvent at the electrode interface, and effectively guides the homogeneous plating/stripping of K as well as suppresses dendritic growth. Therefore, a high reversible capacity of 200 mAh/g(composite) with the coulombic efficiency of 99.1 % at 50 mA/g was produced by the K-storage system of the novel phenazine anode with carbon nanotubes supported (PhAz/CNTs) and AN-containing electrolyte. The cyano-based additive strategy may offer novel insights into the tuning of electrolyte properties for the development of high-performance potassium ion battery systems.

High contrast stimuli-responsive fluorescence emitters based on carbazole-cyanostilbene derivatives with aggregation induced emission properties

Due to the aggregation induced emission (AIE) materials exhibiting obvious fluorescent emission changes under the external stimuli of heat, solvent, force and so on, significant efforts have been directed toward developing AIE-active materials with high contrast stimuli-responsive fluorescence behaviors. Herein, three electron-donor(D)-electron-acceptor(A) and D-A-D type organic fluorescence emitters of Cz-DC-tBu, Cz-DC-CN and Cz-DC-OMe were facilely synthesized using carbazole group as D unit and cyano group as A unit. They showed typical AIE features and exhibited remarkable color changes under mechanical force and in different polarity solvents, respectively. The stimuli-responsive mechanism of the compounds were investigated by powder X-ray Diffraction (PXRD) and density functional theory calculations (DFT), which revealed that the mechanofluorochromic behaviors were associated with the molecular packing modes, and the solvatochromic effects were caused by the intramolecular charge-transfer transition (ICT) effect. Significantly, it was found that Cz-DC-tBu showed high contrast stimuli-responsive behaviors through adjusting the substituent groups on the cyanostilbene unit with CN, OMe, and tBu groups, respectively. This study provided a new strategy for the design of AIE-active stimuli-responsive fluorescence emitters, and made them possible using in stress sensors, chemical detection, memory storage, anti-counterfeiting applications.