ADVANCED FUNCTIONAL MATERIALS
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2025
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IF 19
Yutong Tong,Butian Chen,Chong Liu,Ruoyu Wang,Dewen Wang,Tianran Zhang,Xiaobai Ma,Limei Sun,Jinbo Yang,Wenyun Yang,Xiangfeng Liu
Halide solid electrolytes (SEs) show great potential in all-solid-state batteries (ASSBs) because of their high ionic conductivity and high oxidative stability. But the long-term cycling stability remains a major concern due to the cathode/halide interface side reactions, especially under high current density. Herein, a s-p-d orbital hybridization strategy is proposed via introducing Zr 4+ and F − into Li 3 InCl 6 (LIC-ZrF 4 ) to regulate the electron localization structure around the central In 3+ . The electron transfer between the cation and Cl is alleviated by the enlarged bandgap (4.485–4.894 eV) with ZrF 4 introduction, and more electrons aggregate around In 3+ after s-p-d hybridization among Zr, In, and Cl. This effectively prevents LIC-ZrF 4 from being attacked by O atoms in LiNi 0 . 8 Co 0 . 1 Mn 0 . 1 (NCM811) and significantly suppresses the interface side reactions. The in situ formed LiF-containing layer further enhances the interface stability. The assembled ASSB (NCM811/LIC-ZrF 4 /LPSC/Li-In) exhibits a state-of-the-art capacity retention (96.7%@500cycles@1C; 80.7%@1600 cycles@2C). Furthermore, the ionic conductivity of LIC-ZrF 4 is also enhanced from 0.6 to 1.5 mS cm −1 while the electronic conductivity is decreased from 3.66 × 10 −8 to 8.39 × 10 −9 S cm −1 . This work highlights the crucial role of s-p-d hybridization on the electron localization regulation and the interface stability, and presents some distinct insights into developing high-performance halides-based ASSBs.
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ACS Sustainable Chemistry & Engineering
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2025
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IF 7.3
Jinhuan Liang,Xiaoqi Wu,Jingwen Ma,Jin Huang,Jiaxin Wu,Rongrong Zhong,Zehua Zou,Yanjun Hou,Qingxiang Wang,Xuan Zheng
Constructing efficient and durable bifunctional electrocatalysts for overall water splitting (OWS) under industrial current densities remains a critical challenge. Herein, we report a crystalline–amorphous (C–A) Schottky junction catalyst, NiFe(OH)x/Fe7S8/IF, featuring a nanosphere-assembled hierarchical architecture synthesized via a two-step in situ growth strategy. The hybrid integration of conductive Fe7S8 nanorods and amorphous NiFe(OH)x nanosheets generates a robust C–A heterointerface. Mechanistic investigations reveal that the built-in electric field (BIEF) at the Schottky interface not only narrows the band gap of NiFe (oxy)hydroxide to improve charge transport, but also modulates the adsorption behavior of reaction intermediates by tuning the d/p-band center proximity (Δεd–p) of surface reaction sites. First-principles calculations demonstrate that Δεd–p serves as a reliable electronic descriptor for optimizing HER and OER pathways of NiFe (oxy)hydroxide-Fe7S8 heterointerface via balancing H adsorption and weakening OOH binding, respectively. Benefiting from these unique electronic regulations, the resulting catalyst exhibits exceptional bifunctional electrocatalytic performance, requiring overpotentials of only 359 mV for the hydrogen evolution reaction (HER) at 1 A cm–2 and 380 mV for the oxygen evolution reaction (OER) at 500 mA cm–2. When integrated into a two-electrode electrolyzer, the NiFe(OH)x/Fe7S8/IF couple achieves a low cell voltage of 1.42 V at 10 mA cm–2 and sustains 1 A cm–2 over 300 h with minimal current density decay. This work sheds light on a generalizable interfacial design strategy and introduces Δεd–p as a conceptual framework for the rational design of cost-effective, high-performance water-splitting electrocatalysts.
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JOURNAL OF MOLECULAR STRUCTURE
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2025
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IF 4.7
Xinru Dong,Yang Li,Xuejun Zhang,Nan Liu,Peng Gao
A donor–acceptor (D–A) covalent organic framework (CoPcPA-COF) was constructed from a metal phthalocyanine donor and a polycarboxylic acid acceptor unit. Molecular structure modulation endowed the material with exceptional visible-light absorption (bandgap: 1.34 eV) and a strong photoelectronic response. In photocatalytic tetracycline degradation, CoPcPA-COF achieved 91.1% removal within 60 min and maintained stable performance in various real water matrices, demonstrating excellent environmental adaptability. Density functional theory (DFT) analysis revealed pronounced spatial charge separation (CT ratio: 88.97%), a high exciton binding energy (4.314 eV), and a ligand-to-metal charge transfer tendency. Density of states (DOS) calculations indicated a theoretical bandgap of 0.5 eV, corroborating its broad-spectrum light response and favorable electronic structure. This work provides a theoretical foundation for the development of visible-light-driven COF photocatalysts and offers a promising strategy for efficient remediation of antibiotic contamination in water.
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Science Advances
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2022
·Vol. 8
·期 50
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IF 14.957
Qingxun Guo,Liang Wang,Longbo Yang,Jiashun Duan,Hainan Du,Guoqi Ji,Nian Liu,Xue Zhao,Chao Chen,Ling Xu,Liang Gao,Jiajun Luo,Jiang Tang
Next-generation wide color gamut displays require the development of efficient and toxic-free light-emitting materials meeting the crucial Rec. 2020 standard. With the rapid progress of green and red perovskite light-emitting diodes (PeLEDs), blue PeLEDs remain a central challenge because of the undesirable color coordinates and poor spectra stability. Here, we report Cs 3 CeBr x I 6− x ( x = 0 to 6) with the cryolite-like structure and stable and tunable color coordinates from (0.17, 0.02) to (0.15, 0.04). Further encouraged by the short exciton lifetime (26.1 ns) and high photoluminescence quantum yield (~76%), we construct Cs 3 CeBr x I 6− x -based rare-earth LEDs via thermal evaporation. A seed layer strategy is conducted to improve the device’s performance. The optimal Cs 3 CeI 6 device achieves a maximum external quantum efficiency of 3.5% and a luminance of 470 cd m −2 with stable deep-blue color coordinates of (0.15, 0.04). Our work opens another avenue to achieving efficient and spectrally stable deep-blue LEDs.
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Sensing and Bio-Sensing Research
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2026
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IF 4.7
Ahmad Movahedpour,Omid Sheydaei,Arash Asfaram,Sajedeh Karami,Hassan Ghasemi
This study presents the design and electrochemical characterization of a highly sensitive and selective sensor for the determination of D−/L- kynurenine (D−/L- KYN), based on a carbon paste electrode (CPE) modified with multi-walled carbon nanotubes (MWCNTs). The electrocatalytic oxidation of D−/L-KYN at the MWCNT-modified CPE was systematically investigated using cyclic voltammetry (CV) and differential pulse voltammetry (DPV). The Structural and morphological characteristics of the MWCNTs were characterized by Fourier-transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), and X-ray diffraction (XRD). The combined characterization results confirmed the successful functionalization, morphological integrity, and crystalline structure of the MWCNTs, supporting their suitability as an efficient electrode modifier. At physiological pH (7.0) in phosphate buffer solution (PBS), D−/L-KYN exhibited a well-defined oxidation peak at +0.85 V (vs. Ag/AgCl). The electrochemical behavior of the analyte followed a diffusion-controlled mechanism involving a two-electron/two-proton transfer process. Key analytical parameters including solution pH and scan rate were optimized to enhance sensor performance. The fabricated sensor exhibited a linear concentration range of 0.06–40.0 μM, with an impressive limit of detection 3 nM (S/N = 3). Furthermore, the sensor demonstrated excellent reproducibility and repeatability, with relative standard deviations (RSDs) of 3.8% and 3.3%, respectively. The developed platform was successfully applied to the quantification of D−/L-KYN in spiked human plasma samples, demonstrating its potential for clinical and biomedical applications.
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TALANTA
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2026
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IF 6.7
Xin Zhou,Jingyao Zhang,Wencong Li,Xiangdong Xu
An organic material 4-(4-dimethylaminostyryl) methylbenzothiazole 4-methylbenzenesulfonate (DABT) with a D-π-A structure was prepared, and its luminescent properties and pH-driven fluorescence switching were investigated. The dimethylamino group in its cation contains a nitrogen (N) atom with a lone pair of electrons, serving as the electron donor for sensing H + ions. Protonation of this N atom under acid stimulation modulates the intramolecular charge transfer (ICT) effect and the resultant light absorption and photoluminescence of DABT, thereby realizing the recognition and detection of H + . These characteristics endow DABT with photochromism in both liquid and solid states, and the feasibility of sensing ultra-acidic pH: (i) Both acid (trifluoroacetic acid, TFA) and base (triethylamine, TEA) additions can be efficiently sensed by three forms of reversible conversions, including color, light absorption, and fluorescence response of DABT in its dichloromethane (DCM) solution; (ii) TFA or TEA vapor in air can also be rapidly sensed by solid DABT powders or DABT−polyvinyl alcohol (PVA) composite films; (iii) In the strong acidic pH range of 1.0−3.5, a good linear relationship between the fluorescence emission of DABT and pH value was measured, with a high fitting R 2 of 0.9925. This work reveals the peculiar reversible photochromism of organic DABT under acid or base treatment, and particularly, it discloses novel highly-sensitive fluorescent organic probes for efficiently sensing ultra-acidic pH.
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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
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2026
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IF 5.4
Siyi Liu,Mingqin Kang,Zhongping Dong,Shuyan Xiao
Single-atom nanozymes exhibit high catalytic efficiency, which is strongly determined by the coordination environment of metal centers and the structure of the supporting carbon matrix. Herein, a series of sulfur-coordinated copper single-atom nanozymes with atomically dispersed Cu-N x sites was synthesized via pyrolysis of zeolitic imidazolate framework-8 precursors co-encapsulating sodium copper chlorophyllin (SCC) and L -cysteine. SCC provided Cu-N 4 motifs, stabilizing atomically dispersed Cu sites during pyrolysis. L -cysteine plays a multifaceted role by introducing Cu-S coordination, regulating carbon framework size, and generating defect-rich structures, collectively enhancing oxidase-like activity. The optimized nanozyme exhibited a Michaelis-Menten constant of 0.28 mM and a maximum reaction rate of 6.73 × 10⁻ 8 M·s⁻ 1 , indicating strong substrate affinity and rapid catalytic turnover. Using this nanozyme, a colorimetric sensor for D -penicillamine ( D -PA) was developed, achieving an ultra-wide detection range from 0.5 to 3000 μM through a segmented detection strategy, with a low detection limit of 0.279 μM and recoveries of 92.7–107.4% in river water samples. This work demonstrates a robust sulfur-coordination strategy for high-performance single-atom nanozymes and provides a practical platform for monitoring pharmaceutical pollutants over an ultra-wide concentration range.
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Nature Communications
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2026
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IF 18.1
Zhang Zhenlin,Yan Lang,Li Weiwei,Hu Jinyan,Wang Yang,Dou Hongjing,Pan Dengyu,Shen Longxiang,Shi Sheng,Geng Bijiang
In the development of clinically translatable triplet photosensitizers for hypoxia regulated photodynamic therapy (PDT), there is an unmet need for engineering sensitizers as near-infrared (NIR)-responsive, type I/type Ⅱ dual photosensitizers and mild photothermal agents. Herein, we develop a binary precursor-engineering strategy for precise regulation of the D-π-A configuration of carbon dots (CDs) as ultralong-lived triplet, type I/Ⅱ dual photosensitizers by utilizing phenolic hydroxyl as an electron-rich donor and pyridine N as an electron-withdrawing acceptor. The photodynamic performance of CDs is enhanced by intramolecular charge transfer and mild photothermal conversion. We further design M1-like macrophage-derived cell membrane‑camouflaged CDs to realize preferential tumor accumulation while guaranteeing rapid systemic clearance. D-π-A sensitized CD-mediated PDT induces anti-tumor activity against primary and distant tumors. Our work highlights the crucial roles of D-π-A sensitization of CDs in boosting PDT by triplet state tuning, surface charge transfer, and mild photothermal relief of hypoxia.
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PubMed
高影响因子
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS
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2026
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IF 2.5
Hai Huang,Liwei Guo,Hansong Sun,Yunhong Liu,Jun Zhang,Weijie Tang,Xiaodong Xia,Yu Wang,Ni Chen,Dong Lv,Jing Yang
Objective To investigate the mechanism of action of saikosaponin D (SSD) on bladder cancer (BCa) and evaluate its synergistic antitumor efficacy with the chemotherapeutic agent gemcitabine (GEM). Methods MTT, colony formation, Transwell, and scratch wound healing assays detected SSD's effects on the proliferation, invasion, and migration of RT112 and T24 cells. Specific inhibitors identified cell death mode. Western blotting, immunohistochemistry, and flow cytometry verified ferroptosis-related protein expression and oxidative stress. Network pharmacology predicted core pathways, validated by examining PI3K/AKT pathway activity. Animal models evaluated the synergistic effect of SSD and GEM. Results In vitro, SSD dose-dependently inhibited the BCa cells proliferation, invasion, and migration, and upregulating E-cadherin whilst downregulating N-cadherin, Vimentin, and Snail. The effects were blocked by the ferroptosis inhibitor Fer-1. Network pharmacology identified the PI3K/AKT pathway as a core target. Moreover, SSD regulated the GPX4/SLC7A11/ACSL4, suppressed PI3K/AKT phosphorylation, and triggered lipid peroxidation and reactive oxygen species accumulation, partially reversed by a PI3K-specific phosphopeptide agonist. In vivo, SSD inhibited tumor growth, and its combination with GEM showed superior efficacy. The combination therapy most effectively downregulated SLC7A11, GPX4, Vimentin, N-cadherin and Snail, while upregulating the ACSL4 and E-cadherin. Conclusion SSD inhibits the malignant phenotype of BCa by targeting PI3K/AKT to trigger ferroptosis. Its synergistic effect with GEM from the dual mechanisms of ferroptosis sensitization and epithelial-mesenchymal transition inhibition, providing an innovative combination strategy based on natural product active ingredients to overcome bladder cancer chemoresistance.
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PubMed
高影响因子
Materials Today Energy
·
2026
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IF 8.1
Hui Lu,Shuai Zhang,Tao Sun,Wei Wang,Wei Sun,Li Yan,Xueying Cheng,Chunbo Liu
The photocatalytic two–electron oxygen reduction reaction (2e - ORR) for hydrogen peroxide (H 2 O 2 ) production offers a green and sustainable alternative to the energy–intensive anthraquinone process. Donor–π–acceptor (D–π–A) conjugated polymer photocatalysts are suitable for this reaction because their electronic structures and visible–light absorption can be readily tuned. However, inefficient charge separation and limited ORR selectivity remain major challenges. Here, we regulate the donor unit in a D–π–A polymer comprising an alkynyl triazine acceptor and an alkynyl π–bridge by replacing the fluorenone (DBF) donor with thienothiophene (DBTT). The stronger electron–donating character of DBTT promotes spatial separation of the highest occupied and lowest unoccupied molecular orbitals, facilitating charge separation and suppressing carrier recombination. Consequently, TEPT–DBTT achieves an H 2 O 2 production rate of 2273 μmol g -1 h -1 under visible light, approximately six times higher than that of TEPT–DBF. This study demonstrates that donor–unit engineering effectively modulates spatial charge separation and enhances photocatalytic H 2 O 2 production, providing a molecular design strategy for efficient triazine–based D–π–A polymer photocatalysts.
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XENOBIOTICA
·
2026
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IF 1.5
Jiexin Qiu,Beibei Yao,Qing Yu,Jiajie Wang,Lingling Huang,Jiale Chen,Yufeng Lu,Chunying Wang
Cis-2,3,5,4′-tetrahydroxystilbene-2-O-β-D-glucoside (cis-THSG), a photoisomer of the major bioactive component in Polygoni Multiflori Radix Praeparata (He-Shou-Wu), has enhanced hypolipidemic activity but is associated with idiosyncratic hepatotoxicity. Its metabolic fate under pathological conditions and key clearance enzymes remain unclear.This study aimed to compare metabolite profiles of cis-THSG in normal and hyperlipidemic rats in vivo and in vitro, identify metabolites, and characterise enzyme kinetics in rat liver microsomes (RLMs) and major CYP450 isoforms. Metabolites in plasma, urine, faeces, bile, and intestinal bacteria incubation fluids were analysed by UHPLC-Q-TOF-MS/MS. Enzymatic kinetics and CYP450 isoforms were investigated via chemical inhibition assays.A total of 27 metabolites were characterised; cis-THSG underwent rapid glucoside hydrolysis, and its aglycone underwent phase I and II reactions. Hyperlipidaemia reduced metabolites to 20 and markedly increased plasma cis-THSG and aglycone abundance. Kinetic parameters were Km 32.86 μmol/L, Vmax 0.7285 μmol/(min·mg protein), CLint 0.02217 L/(min·mg protein). Rat liver microsomal CYP isoforms analogous to human CYP3A4 and CYP2C9 mediated cis-THSG oxidative metabolism.This study provides the first comprehensive metabolite map of cis-THSG, identifies its aglycone as a potential bioactive form, and reveals a disease-related metabolic shift. CYP phenotyping offers a mechanistic basis for predicting clinical drug–drug interactions.
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SEPARATION AND PURIFICATION TECHNOLOGY
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2026
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IF 9.1
Shuo Zhang,Chenxi Chang,Tong Xu,Qingyuan Zhang,Wenxia Zhao,Xiuling Cai,Zidan Li,Bin Zhu
An interface-engineered S-scheme BiOBr/CoFe-LDH heterojunction photocatalyst was fabricated via a facile one-pot hydrothermal method to boost CIP degradation. The crystal structure, morphology, optoelectronic properties and interfacial charge transfer behavior were systematically characterized by XRD, TEM, XPS, photoelectrochemical measurements and density functional theory (DFT) calculations. The optimized 5-BOB/LDH/PMS/Vis system achieved ∼90% CIP removal within 60 min for 20 mg L −1 CIP solution, with an apparent rate constant 1.7-fold and 11.3-fold higher than those of pristine CoFe-LDH and BiOBr, respectively. The catalyst exhibited excellent practical applicability: it retained 81.5% activity after 5 consecutive cycles, maintained high degradation efficiency over a broad pH range (4–11) and showed universal degradation capability toward tetracycline, rhodamine B, acetaminophen and sulfadiazine. Mechanistic studies revealed that the constructed S-scheme heterojunction not only suppressed charge carrier recombination but also upshifted the d-band center of Fe species, enhancing PMS adsorption and accelerating the synergistic redox cycle between Co and Fe active sites. This work provides a rational design strategy for high-performance PMS-activating photocatalysts and demonstrates great potential for the advanced treatment of antibiotic-containing wastewater.
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