High atomic economy is an aspirational target of the construction functional organic molecules, which is one of the core contents of green chemistry. The visible-light-driven copper-catalyzed synthesis of hydroxamates from dioxazolones has been reported. This reaction possesses high atom economy, a catalyst loading as low as 5 mol%, mild reaction conditions, and a broad substrate scope with excellent yields. A mechanistic study reveals that cleavage of C—O bond might be involved in the reaction.

A single component molybdenum catalyst was synthesized and its activity in the cycloaddition reaction of CO₂ and epoxide was tested. The results show that the molybdenum catalysts exhibit high activity and a broad substrate scope under the reaction conditions of 80 ℃ and 0.5 MPa of CO₂, solvent-free, and and no nucleophilic cocatalysts, affording a wide range of cyclic carbonates in yields of 42%~94%. The reaction mechanism was investigated using in situ infrared (in situ IR), high-resolution mass spectrometry (HRMS) and Fourier transform infrared spectroscopy (FT-IR).

In order to find novel compounds with superior antitumor activity, a series of 6-(N-imide)-β-carboline derivatives with diverse substituents, totaling 30 compounds, were designed and synthesized. The inhibitory effects of these compounds on five cancer cell lines, namely lung cancer (A549), gastric cancer (BGC-823), colon cancer (CT-26), liver cancer (Bel-7402), and breast cancer (MCF-7), were evaluated using methyl thiazolyl tetrazolium (MTT) assay. The experimental results indicated that most target compounds exhibit better antitumor activity against the tested cell lines, with half-maximal inhibitory concentrations (IC₅₀) values below 20 μmol/L. Moreover, the series of compounds showed better inhibitory activity against the A549 and Bel-7402 cell lines. In particular, compounds 5j, 5p, and 5ac exhibited excellent inhibitory activity against tumor cells, demonstrating potential value for antitumor research. Specifically, compounds 5j and 5p exhibited excellent inhibitory activity against the A549, BGC-823, and Bel-7402 cell lines, while compound 5ac showed excellent inhibitory activity against the A549, Bel-7402, and MCF-7 cell lines, all with IC₅₀ values less than 10 μmol/L. The molecular docking results indicate that compound 5ac exhibits favorable binding interactions with multiple amino acid residues of vascular endothelial growth factor receptor-2 (VEGFR-2).

A new zinc complex [Zn(btx)₂(H₂O)₄]•(p-OHC₆H₄SO₃)₄ was synthesized from zinc sulfate tetrahydrate (ZnSO₄• 4H₂O), sodium 4-hydroxybenzenesulfonate dihydrate (C₆H₅NaO₄S•2H₂O) and 1,6-bis(1H-1,2,4-triazole)hexane (btx) under solvothermal conditions. It was characterized by X-ray single crystal diffraction, infrared spectrum, X-ray powder diffraction, nitrogen adsorption-desorption test and scanning electron microscope. The catalytic performance of the complex in the synthesis of 2-substituted-2,3-dihydroquinazolin-4(1H)-ones from aromatic aldehydes and o-aminobenzamide was investigated. The experimental results showed that high yields could be achieved in a short time by using a small amount of catalyst. When the substituent positions on the benzene rings of aromatic aldehydes are identical, the stronger electron-withdrawing capability of the substituents results the higher yields of the products. The Gaussian 16 program was used to optimize the calculation on 16 different aromatic aldehydes with various structures. The calculation results showed that when the positions of the substituents are same, the stronger electron-withdrawing ability of the substituents, the lower lowest unoccupied molecular orbital (LUMO) energy of the aromatic aldehydes, and the higher reactivity, which contributes to the proceed of the reactions. This is consistent with the conclusion of the catalytic experiments. Finally, the active sites of the zinc complex were deduced by density functional theory, and the possible reaction mechanism of the zinc complex as a catalyst for the synthesis of 2-substituted-2,3-di- hydroquinazolin-4(1H)-one is described.

A cyclic extraction-coupled electrolysis strategy was developed for the green synthesis of high-concentration hydroquinone (HQ). p-Benzoquinone (BQ) was first generated via anodic oxidation of phenol, subsequently extracted by chlorobenzene, and finally reduced at the cathode. Under the optimized electrolytic parameters, the total yield of hydroquinone was 68.03%. Chlorobenzene, as the extractant, could balance the efficient separation of p-benzoquinone and the recyclability of the electrolyte. After the anode liquid was recycled 5 times, the yield of p-benzoquinone remained at about 73%, and after the cathode liquid was recycled 4 times, the concentration of hydroquinone increased by 4.6 times. It increased from 4.68 g/L to 21.51 g/L. This method ensures the recyclability of both anodic and cathodic electrolytes while achieving a high hydro- quinone concentration, thereby offering an industrially feasible approach for the green synthesis of hydroquinone.

A method for the photocatalytic isomerization synthesis of cis-olefins containing electron-withdrawing groups is reported. The target cis-alkene was synthesized via photocatalytic isomerization using Ir(ppy)₃ as the photosensitizer and 365 nm UV light as the excitation source. This method features mild reaction conditions, high safety, great selectivity, and broad substrate applicability, providing a valuable strategy for the photocatalytic isomerization synthesis of cis-olefin.

A green and efficient strategy for the synthesis of sulfinamides via the oxidation of sulfenamides using Selectfluor in water has been developed. This mild protocol possesses a good substrate scope, tolerating various functional groups. Reactions proceed smoothly under additive-free conditions, affording the corresponding sulfinamides in moderate to good yields. A successful scale-up attempt highlights the scalability and practical potential of this method.

A halogen bond-promoted cross-coupling reaction between 2-bromopropionitrile derivatives and coumarin/quino- linone compounds was reported. The developed methodology features a simple reaction system, mild conditions, and provides target products in moderate to good yields. The cyano functional group in the obtained compounds could be efficiently converted into 2H-tetrazole derivatives under mild conditions. Comparative studies using ester analogs demonstrated significantly reduced reactivity compared to their cyano counterparts, highlighting the crucial role of the cyano group in this transformation. Preliminary cellular experiments revealed that compound 4b selectively inhibited MDA-MB-231 cells with an IC₅₀ value of (22.8±1.3) μmol/L, while most other compounds exhibited non-toxic or low toxicity toward both tumor cells and HL-7702 normal cells. These findings establish a foundation for further investigations into other biological activities such as antioxidant and antibacterial properties.

Both molecular iodine and hydrosilane are compounds that are easy to store and access, and the reactions involving them have the characteristic of simple operation. In this work, diiodine/hydrosilane system is used for the synthesis of α-hydroxyamides. α-Ketoamides are used as the raw materials with chlorodimethylsilane serving as the hydrosilane, and the solvent is ethyl acetate. The synthesis can be achieved within 40 min at room temperature. This synthesis method is easy to operate, and has a short reaction time, a wide range of substrate scope and good functional group tolerance. A total of 22 α-hydroxyamide products were obtained, and a gram-scale experiment was conducted using 2-oxo-2-phenyl-N-(p-tolyl)aceta- mide as the starting material.

Nine peptide-modified Salen-Co(II) complexes based on three Salen ligand frameworks SA1~SA3 and four oligopeptides P1~P4 have been prepared. Their catalytic activities were examined through a model hydrohydrazination of cinnamic alcohol with azodicarboxylate. While peptide-modified Salen-Co(II) complexes derived from SA1 are ineffective, its parent ¹SalenCo and those based on SA2 and SA3 are excellent catalyst for this reaction. These results demonstrate that peptide ligands significantly modulate the catalytic activity of SalenCo(II) complexes, particularly at lower temperatures, likely due to hydrogen-bonding interactions.

This study presents the development of a novel hydrophobic silicon-based tag, ((chloromethylene)bis(1,4-phen- ylene))bis(oxy))bis(tert-butyldimethylsilane) [CBTBS], for facilitating the liquid-phase synthesis of peptide alcohols. By replacing the reproductive-toxic solvent N,N-dimethylformamide (DMF) with the environmentally friendly ethyl acetate (EA) and implementing a synergistic deprotection system using sodium 3-mercapto-1-propanesulfonate (Mps) and 1,8-diazabicyclo- [5.4.0]undec-7-ene (DBU) (substituting the traditionally regulated piperidine reagent), this strategy enables efficient and convenient removal of byproducts such as fulvene adducts. Additionally, it achieves high-efficiency synthesis of the Gramicidin A fragment with a crude yield exceeding 80%. Compared with conventional solid-phase synthesis, this method significantly reduces the process mass intensity (PMI), thereby providing an efficient and sustainable new pathway for the green synthesis of peptide alcohols.

(S,S)-Quinine thiourea derivatives were used for the three component asymmetric Knoevenagel/Michael/cycli- zation cascade reaction of different isatin, maleimide, and malononitrile in organic catalysis. Under the optimal catalyst conditions, chiral spiro(indoline-3,4-pyrrolo[3,4-b]pyridine) was obtained with a chemical yield of 75% to 86% and a maximum enantioselectivity of 92% ee. This study has expanded the range of catalyst types and substrates for this reaction.

The methylene-selective oxidation of simple alkanes catalyzed by a nonheme iron(III)-monoamidate complex using H₂O₂ as the terminal oxidant is reported. Mechanistic studies suggest that iron(V)-oxo species is the active intermediate, undergoing hydrogen atom abstraction (HAA) as the rate-determining step to initiate C—H bond activation.

A facile one-pot strategy for the synthesis of α,β-unsaturated amides via an I₂/t-butylhydroperoxide (TBHP)- mediated oxidative system has been reported. The methodology achieves efficient construction of a series of α,β-unsaturated amides through oxidative coupling of allylbenzenes with N,N-dialkylformamides under mild conditions. Notably, N,N-dialkyl- formamides serve as both solvents and reactants in this protocol, significantly enhancing the atom economy of transformation.

A photoredox-catalyzed system has been developed for the deoxyphosphonylation and deoxyphosphinylation of alkyl alcohols via thianthrenium salts. This methodology features simple reaction conditions, avoids the use of expensive reagents, and enables efficient recovery and reuse of thianthrenium reagent as hydroxyl-activating agent. Notably, both transformations exhibit broad substrate scope and good functional group compatibility, and have been successfully applied to the late-stage modification of various complex bioactive molecules. This protocol represents a promising methodology for practical synthesis of alkylphosphonates and alkylphosphinates.

A palladium-catalyzed three-component annulation of anilines, alkyne esters, and alkynes has been developed for the synthesis of polysubstituted pyrroles. The protocol demonstrates broad substrate scope and good functional group compatibility. The application experiments including gram-scale synthesis and derivatization of the product are performed to illustrate the synthetic potential. This method offers mild conditions and efficient access to polysubstituted pyrroles.

Leveraging the modularity and efficiency of click chemistry, a series of chiral diamine-triazole tetradentate nitrogen donor ligands and their corresponding nonheme iron complexes were synthesized. These iron-based catalysts demonstrated excellent catalytic activity and enantioselectivity in the asymmetric epoxidation of electron-deficient olefins using H₂O₂ as the terminal oxidant.

Using the natural product isopimaric acid as a starting material, nine N-isopimaroyl-N'-aryl acylamino thiourea derivatives were designed and synthesized through functional group assembly strategy. The tetrazolium salt (MTT) assay was used to evaluate the inhibitory activity of these compounds against four human cancer cells of HepG-2, K562, MCF-7 and PC-3. The results showed that these compounds exhibited moderate to significant inhibitory effects on four tumor cell lines. Among them N-isopimaroyl-N'-(4-hydroxybenzamido)thiourea (3d) demonstrated the strongest activity with IC₅₀ values of (8.3±2.2) and (9.1±1.5) μmol/L for MCF-7 and PC-3 cells, respectively. Structure-activity relationship analysis revealed that the introduction of methyl and bromine atom in the meta-position of phenyl was not conducive to the enhancement of anticancer activity, while the introduction of hydroxyl group in the para position was helpful to enhance the activity. When the phenyl was replaced by heterocyclic aromatic group, the anti-proliferative activity of the compound against MCF-7 and PC-3 decreased. Further molecular docking studies indicated that, except for N-isopimaroyl-N'-(2-furanylamino)thiourea (3i), all other compounds formed stable protein-ligand complexes with the target protein PARP-1 through hydrogen bonding and hydrophobic interactions. Compound 3d exhibited multiple interactions with PARP-1, and the hydrogen bond formed with the TYR907 residue was likely a key factor contributing to its significant antitumor activity.

Fluorescent image-guided photodynamic therapy (PDT) has many advantages such as in situ visualization, precision treatment, easy operation, and no drug resistance, which has shown important application potential in the imaging and treatment of cancer cells and drug-resistant bacteria. Photosensitizer (PS) is an important part of PDT, and its fluorescence and reactive oxygen species (ROS) efficiency directly affect phototherapeutic effect. Traditional methods mainly enhance the intramolecular charge transfer or introduction of the heavy atom effect to promote the intersystem crossing (ISC) process to produce more triplet energy, but seriously quenching the fluorescent efficiency of the PS. Therefore, it is important to develop molecular engineering that can improve simultaneously the fluorescence and ROS efficiency of PS. This work reports a strategy to improve the molecular molar absorption coefficient by introducing fusing ring units with different rigidity between the electronic donor and acceptor, which not only improves the photoluminescence quantum efficiency, but also greatly improving the efficiency of producing type I/II ROS. Using triphenylamine as electronic donor and cationic pyridine as acceptor, three cationic PSs (TPA-B-PI, TPA-N-PI and TPA-Py-PI) with different molar absorption coefficients were designed and prepared by introducing benzene, naphthalene and pyrene rings between electronic donor and acceptor. The photophysical and photo-sensitive properties of the PSs were researched in detail. Experimental results showed that, owing to the larger absorption cross section of pyrene molecule, TPA-Py-PI exhibited a superior molar absorption coefficient. Furthermore, more singlet and triplet excitons were generated after excitation, resulting in the best fluorescence quantum efficiency and type I/II ROS efficiency. The results of photodynamic antibacterial experiment showed that the TPA-Py-PI had good antibacterial effect on Staphylococcus aureus (S. aureus), drug-resistant Staphylococcus aureus (MRSA) and Escherichia coli (E. coli). Moreover, TPA-Py-PI achieved good antibacterial efficiency of 99.99% against MRSA at low concentration (25 nmol/L) and irradiation dose (20 mW/cm²).

Multi-resonance thermally activated delayed fluorescent (MR-TADF) molecules based on boron and nitrogen atoms have promoted the development of a new generation of blue organic light-emitting diodes (OLEDs) due to their narrowband emission and high luminescence efficiency. However, the inherently planar conjugated structure of typical MR- TADF molecules leads to intermolecular aggregation, resulting in concentration quenching and spectral broadening, which restricts their application. Here, a bifunctional modification strategy by introducing fluorine atoms with an electron- withdrawing effect and phenyl groups with a steric hindrance effect into the luminescent core to synergistically regulate molecular orbital distribution and intermolecular interactions is proposed. Three MR-TADF materials were obtained by a simple synthesis method to effectively suppress the intermolecular π-π interaction and achieve efficient blue emission. The corresponding OLED devices incorporating these materials exhibited excellent performance at high doping concentrations. Notably, the device based on N,5,9-tris(3,5-difluoro-[1,1'-biphenyl]-2-yl)-N-phenyl-5,9-dihydro-5,9-diazido-13b-boronaphtho- [3,2,1-de]anthracene-7-amine (DFBP-DABNA) achieved a maximum external quantum efficiency (EQE_max) of 13.3%, with a CIE_y value of 0.043, meeting the BT.2020 blue emission standard. This study demonstrates the effectiveness of the proposed bifunctional molecular design strategy and provides valuable insights for the development of blue emission MR-TADF materials.

Helicene-type compounds are renowned for their unique chiral properties, however, obtaining their enantiomers usually requires laborious and costly chiral separations. Moreover, their chiroptical activity is typically limited to the ultraviolet spectral range, which restricts their broader applicability. To overcome these limitations, a novel and efficient strategy for synthesizing optically active compounds through the incorporation of an optically pure binaphthol (BINOL) group onto the periphery of β-isoindigo based aza dipyrrometheneboron difluoride (aza-BODIPY) analogues (BIABs) was presented. The resulting (R)/(S)-BINOL-BIABs demonstrate exceptional photostability, deep-red emission, strong Cotton effect (Δε) and high absorbance dissymmetry factor (g_abs). Moreover, tunable circularly polarized luminescence (CPL) with high brightness in the deep-red region was achieved. This strategy offers straightforward procedures for synthesizing optically active compounds.

This study focuses on the chiral bipyrene-glutamic acid amphiphilic molecule (PyG), regulating its supramolecular assembly behavior through anti-solvent and host-guest interactions to achieve enhanced circularly polarized luminescence (CPL) and chirality inversion. Our work reveals that in N,N-dimethylformamide (DMF)/H₂O mixed solvents, variations in water content (poor solvent) can modulate the stacking patterns of pyrene chromophores in PyG. At higher water content, pyrene chromophores predominantly exhibit monomer emission, while lower water content favors excimer emission. The distinct overlap modes of pyrene groups significantly influence the chiral optical properties of assemblies, enabling simultaneous inversion of ground-state circular dichroism (CD) and excited-state circularly polarized luminescence (CPL) chiral signals. At water fractions of 40% and 90%, the g_lum values were measured to be －1.31×10^－3 and 1.06×10^－3, respectively. Upon introducing β-cyclodextrin (β-CD) into the system, a 1∶1 complex forms between β-CD and PyG. The molecular chirality of β-CD governs the supramolecular chirality of co-assemblies with both L-PyG/β-CD and D-PyG/β-CD systems displaying negative CPL signals.

Internal rotation of conjugated organic backbone seriously impaired room temperature phosphorescence (RTP), leading to rare realization of ultra-long afterglows with RTP lifetimes over 2 s in non-bibulous polymers. Herein, N-(bromo- phenyl)carbazoles are cyclized to lock up phenyl-carbazol internal rotation in advance and the fused nitrogen hetero-cyclic compounds are doped into poly(methyl methacrylate) (PMMA). The results show that locking up the molecular internal rotation can achieve ultra-long RTP polymers with lifetimes over 2 s, in contrast, the unlocked molecules hardly emit RTP in PMMA. The high-lying triplet excitons can transfer the energy to low-lying organic fluorescent dyes, and the persistent multi- color afterglows including white emission can be readily modulated. This work discloses an effective and extendable dopant molecular strategy for developing high-performance ultra-long organic RTP polymers.

To further advance the development of the fluorescent dyes for latent fingerprint imaging, two triphenylamine-based Schiff base compounds containing a benzimidazole group (TPA-BZI) and a phenyl unit (TPA-Ph) were designed and synthesized. Photoluminescence experiments revealed that both compounds exhibited solvatochromism and intramolecular charge transfer (ICT) characteristics in six organic solvents. Additionally, they showed aggregation-induced emission (AIE) in CH₃OH/water mixtures and solid-state fluorescence. These phenomena were further elucidated through time-dependent density functional theory (TD-DFT) calculations. It was also found that the two compounds could be used for latent fingerprints imaging, and could easily distinguish the details of fingerprints from I to III levels, which could provide the preliminary evidence to match personal identification.

A new coumarin derivative C2 was constructed to act as a highly effective turn-on fluorescent probe for Cu^2＋ ions. The introduction of Cu^2＋ could lead to the hydrolytic cleavage of the phenylhydrazone moiety in C2 and the transformation into strongly fluorescent aldehyde C1. Probe C2 could recognize Cu^2＋ through a marked fluorescence enhancement with the detection limit as low as 150 nmol/L. By virtue of this unique catalytic hydrolysis reaction, compound C2 displayed highly selective response toward Cu^2＋ over other common ions even in the presence of excessive competitive ions. Furthermore, there was a good linear relationship between the intensity change and the concentration of Cu^2＋ ions, which was beneficial for the exactly quantitative detection. Especially, the efficient detection of Cu^2＋ with C2 for the practical application was successfully performed in gas-generating agents detection

The construction of highly efficient visible-light-excitable afterglow materials based on thermally activated delayed fluorescence (TADF) mechanism is reported, employing an intramolecular charge transfer technology. The resulting TADF- type afterglow materials exhibit emission lifetimes in the range of hundreds of milliseconds and photoluminescence quantum yields of approximately 50%, demonstrating remarkable temperature-responsive properties. By introducing additional electron- donating groups into the donor-acceptor (D-A)-type difluoroboron β-diketonate (BF₂bdk) molecules, donor-acceptor-donor (D-A-D)-type compounds were designed. These compounds exhibit a moderate rate of reverse intersystem crossing (RISC), thereby promoting the emergence of TADF-type afterglow within a rigid crystalline matrix. Furthermore, the D-A-D design approach elevates the highest occupied molecular orbital (HOMO) energy level, enabling TADF-type afterglow emission under visible light excitation. The research findings highlight the significance of intramolecular charge transfer technology in advancing the design of high-performance organic TADF-type afterglow materials.

Donor-acceptor (D-A) conjugated oligomers exhibit unique advantages in optoelectronic materials due to their well-defined molecular structures and ease of purification. However, current D-A oligomers incorporating electron-deficient units like benzothiadiazole (BTz) and naphthobisthiadiazole (NTz) are largely restricted to linear configurations. In this study, two novel D-A conjugated oligomers (VG1 and VG2) with zigzag-shaped topological structures were designed and synthesized by integrating the electron-donating indacenodithiophene (IDT) unit with the previously developed strong electron- withdrawing triphenylenobisthiadiazole (TPTz) unit. Due to the unique V-shaped structure of TPTz unit, VG2 demonstrates a slightly reduced bandgap by 0.04 eV as the number of repeating units increases, while its light absorption coefficient is significantly enhanced. When applied to organic photovoltaic devices, the VG2:Y6-based device achieves a power conversion efficiency (PCE) of 2.56%, outperforming the VG1:Y6 system (2.37%). This improvement is attributed to the reduced radiative recombination losses below the bandgap and lower non-radiative energy losses in the VG2:Y6 device. This work offers a new strategy for modulating the topological structure of conjugated oligomers and their optoelectronic properties.

Organic-inorganic hybrid clusters with strong X-ray radioluminescence have exhibited great potential in scintillator field. However, fabricating the X-ray imaging screens of the clusters without sacrificing the scintillation performance is challenging. Herein, we report an effective way to prepare high-quality scintillation films of two synthesized Cu(I) clusters through vacuum evaporation deposition. The developed Cu(I) clusters with rigid molecular structures show excellent scintillation performance with a high light yield of up to 19356.7 photons/MeV and a low detection limit of 158 nGy/s. The scintillation film based on the Cu(I) clusters made by vacuum evaporation deposition is highly uniform with a small surface roughness value of 1.04 nm, which can be applied to X-ray imaging for various objects. These results not only provide important guidance to develop high-performance organic-inorganic hybrid scintillators, but also pave a straightforward way to prepare non-doped scintillation screens for remarkable X-ray imaging applications.

This study investigated the aggregation behavior of the terpyridine platinum(II) complex P-1 induced by various anions, which was used for identifying structurally similar molecules of adenosine triphosphate (ATP), adenosine diphosphate (ADP), and adenosine monophosphate (AMP). The complex P-1 was found to form different aggregates under different anions, facilitated by intermolecular π-π interactions, Pt…Pt interactions, and electrostatic interactions, resulting in different ¹MMLCT absorption and ³MMLCT emission signals, which was utilized for the recognition of various phosphate anions. Moreover, it was found that structurally similar nucleotides ATP and ADP induced different aggregation behavior for P-1 and resulted positive and negative circular dichroism signals at 300~500 nm, respectively, while AMP didn’t induce aggregation and therefore had silent circular dichroism signals. Thus, ATP, ADP, and AMP were effectively identified using circular dichroism spectroscopy which was much more effective than using absorption and emission spectra that based on the intensity change.

The self-coupling cyclization of α,β-unsaturated ketoxime esters catalyzed by cobalt was developed. This reaction demonstrates excellent substrate compatibility, enabling the participation of various aryl-substituted or heterocyclic-substituted ketoximes to afford the target products in moderate yields. This reaction provides an efficient and convenient synthetic method for the preparation of 2,4,6-trisubstituted pyridine derivatives.