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SOLAR ENERGY MATERIALS AND SOLAR CELLS · 2025 · IF 6.3

Synergistic In/Cd Co-doping strategy for optimizing band alignment achieves 10.23 % efficient ZnO-free Cu2ZnSn(S,Se)4 solar cells

Jingyuan Guo,Letu Siqin,Yufei Li,Wenbo Li,Ruijian Liu,Hongmei Luan,Chengjun Zhu

The band alignment of Cu 2 ZnSn(S,Se) 4 (CZTSSe)/CdS(In) in novel CZTSSe solar cells without a ZnO window layer has been initially investigated in our previous studies. However, the In content of CdS(In) diffused into the absorber is low, and the ability to regulate the band arrangement is limited. In this work, we employ In-ion-doped absorbers to adjust defects. However, this approach leads to a significant loss in short-circuit current density (Jsc). To address this, Cd is introduced to enhance Jsc through grain growth promotion and morphological improvement, thereby offsetting the Jsc loss induced by In doping. The co-doping of In and Cd reduces the conduction band offset (CBO) from 0.28 eV to 0.21 eV, thereby inhibiting carrier recombination and enhancing transport efficiency. Additionally, the concentration of bulk defects is reduced by an order of magnitude. As a result, the fill factor (FF) increased from 56.97 % to 60.08 %, Jsc increased from 37.10 mA/cm 2 to 38.66 mA/cm 2 , and open-circuit voltage (Voc) increased from 431.64 mV to 440.48 mV. Finally, the power conversion efficiency (PCE) of CZTSSe solar cell is enhanced to 10.23 %.

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Food Bioscience · 2026 · IF 6.2

Balancing dual-enzyme expression and synergistically engineering of 4-hydroxyphenylpyruvate dioxygenase for efficient 3-hydroxy-3-methylbutyrate biosynthesis by whole-cell catalysis

Mengrui Wang,Yaokang Wu,Xueqin Lv,Jianghua Li,Long Liu,Guocheng Du,Jian Chen,Yanfeng Liu

3-Hydroxy-3-methylbutyrate (HMB), a key L-leucine metabolite, alters protein metabolic balance during the growth of new muscle tissue and exhibits anti-catabolic effects, garnering widespread attention as a dietary supplement for sarcopenia treatment and sports training. Here, we identified an efficient 4-hydroxyphenylpyruvate dioxygenase from Allokutzneria albata ( Aa HPPD) via molecular docking and whole-cell reaction yield verification. By coupling this enzyme with an efficient L-amino acid deaminase derived from Proteus vulgaris ( Pv LAAD) for whole-cell biocatalysis, 8.66 mM HMB was produced from 25 mM L-leucine, achieving a molar conversion of 34.6%. To coordinate the expression of pathway enzymes, ribosome binding site combinations were optimized, increasing the molar conversion to 56.5%. Additionally, for the rate-limiting enzyme Aa HPPD, distal mutations enhancing thermostability were identified using the Protein Repair One Stop Shop server and Disulfide by Design 2. The co-expression of the double mutant Aa HPPD Q65L/E99D and Pv LAAD resulted in a 61.24% conversion rate. To further improve catalytic activity, four sites identified via alanine scanning were subjected to grouped saturation mutagenesis based on spatial location. The final strain, co-expressing Aa HPPD Q65L/E99D/L260I/V306I and Pv LAAD, achieved a molar conversion of 73.73% for HMB production using 25 mM L-Leu as substrates within 10 h under optimal whole-cell conditions. This study established an efficient method for HMB production via whole-cell catalysis and provided a feasible strategy for engineering the thermostability and activity of the rate-limiting enzyme, as well as synergistically optimizing the expression levels of cascade enzymes.

CAS / MDL: 119-26-6
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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS · 2026 · IF 5.4

Synergistic photothermal and bimetallic catalysis for enhanced reduction of 4-nitrophenol using a “core-shell-satellite” structured Fe3O4@PDA@Ag-Au nanocatalyst

Zijie Qu,Shihan Yu,Miao Li,Yumeng Chen,Xia Liu,Xia Zhang,Guodong Zhang,Xiufeng Wang,Fang Wang,Zhiqing Zhang,Ting Zhou

This study designed and synthesized a Fe 3 O 4 @PDA@Ag-Au NPs nanocatalyst featuring a “core-shell-satellite” structure, aimed at efficiently reducing 4-nitrophenol through photothermal catalysis. Under 808 nm near-infrared laser irradiation, the material demonstrated exceptional photothermal performance and catalytic activity. The reduction rate of 4-nitrophenol reached 90.35 %, with a reaction rate constant of 0.1397 min −1 , significantly surpassing that of a water bath heating system at the same temperature. The high efficiency was attributed to two synergistic effects: the photothermal conversion facilitated by the polydopamine shell and the unique resonance effect exhibited by Ag-Au bimetals. This synergy elevated the system’s equilibrium temperature to 50.7 °C (12.8 °C higher than that of pure water) and generated active site pairs on the Ag-Au interface. These sites enhanced critical reaction steps, thereby reducing the activation energy to 13.8 kJ·mol −1 ,a reduction of 24.0 % compared to that observed in the water bath system (18.3 kJ·mol −1 ). This catalyst could be easily recovered using magnets and maintained over 90 % efficiency after seven cycles. By integrating photothermal catalysis, bimetallic synergy, and magnetic separation, this study presents a novel strategy for developing efficient and recyclable catalysts with significant potential for addressing nitroaromatic organic pollutants.

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NEW JOURNAL OF CHEMISTRY · 2015 ·Vol. 40 ·期 2 ·1685-1692 · IF 3.086

In situ synthesized Au–Ag nanocages on graphene oxide nanosheets: a highly active and recyclable catalyst for the reduction of 4-nitrophenol

Min Hong,Lidan Xu,Fangli Wang,Shuling Xu,Haibo Li,Chen-zhong Li,Jifeng Liu

Graphene oxide-supported hollow Au–Ag alloy nanocages (AuAgNC/GO) with tunable shell composition were in situ fabricated by employing a galvanic replacement reaction (GRR) between HAuCl4 and Ag nanoparticles loaded on graphene oxide nanosheets (AgNP/GO). AgNPs on the graphene oxide nanosheets were first synthesized as sacrificial templates by the microwave method. The as-synthesized hybrid materials were characterized by TEM, EDX, HAADF-STEM, XRD and XPS. On the well-known 4-nitrophenol (4-NP) reduction to 4-aminophenol (4-AP) in the presence of excess borohydride, AuAgNC/GO as a solid phase heterogeneous catalyst has been investigated, which exhibited a short induction time, high catalytic activity and good stability against agglomeration for the reduction.

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JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS · 2020 · IF 3.442

In situ decoration of Ag nanoparticles on hierarchical TiO2 nanowire nanofibers with enhanced catalytic activity used for the removal of 4-nitrophenol

Song Chen,Juan Du,Lulu Shen,Weiyi Chen

Hierarchical materials are of great interest toward the development of catalysts because of their unique structures and large specific surface area. In this study, Ag-decorated TiO 2 (TiO 2 @Ag) nanowire nanofibers (NW NFs) were synthesized via the in situ decoration of Ag nanoparticles (NPs) on hierarchical TiO 2 NW NFs and their microstructure and catalytic activity for the removal of 4-nitrophenol were evaluated. TiO 2 NW NFs were first synthesized via the hydrothermal reaction of the electrospun TiO 2 NFs in a concentrated NaOH solution and then hydrothermally treated in a AgNO 3 solution to form the TiO 2 @Ag NW NFs. SEM observations showed that the TiO 2 @Ag NW NFs were assembled from numerous TiO 2 NWs subunits and exhibited a hierarchical and fibrous morphology with diameters in the range of 1–2 μm and lengths of tens of micrometers. TEM observations showed that many Ag NPs with diameters in the range of 4–10 nm were well grown on each TiO 2 NW with diameters of 20–40 nm. It was found that the TiO 2 @Ag NW NFs showed catalytic activity for the removal of 4-nitrophenol (4-NP), a representative contaminant. The catalytic removal efficiency of 4-NP by the TiO 2 @Ag NW NFs in the presence of visible light irradiation (0.639 min −1 ) was 3.2-fold higher than that in the absence of light irradiation (0.199 min −1 ), indicating that the TiO 2 @Ag NW NFs exhibit visible light-enhanced catalytic activity.

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TOXICOLOGY AND APPLIED PHARMACOLOGY · 2026 · IF 3.6

Disruption of progesterone synthesis by PBDEs: Potent inhibition of human and rat placental 3β-hydroxysteroid dehydrogenase by the metabolite 4-Bromodiphenyl ether

Lubin Xie,Qianjin Fei,Ming Su,Yunbing Tang,Yang Zhu,Ren-shan Ge,Ping Duan,Chengshuang Pan

Polybrominated diphenyl ethers (PBDEs) and their metabolite 4-bromodiphenyl ether (BDE3) are pervasive environmental contaminants suspected of endocrine-disrupting effects. This study investigates their inhibitory potential and mechanism of action against human (h3β-HSD1) and rat (r3β-HSD4) placental 3β-hydroxysteroid dehydrogenase, a pivotal enzyme in progesterone biosynthesis. Comprehensive enzymatic analysis revealed that among eight tested PBDE congeners and the structural analog 4-bromobiphenyl (BDP), only BDE3 and BDP exhibited significant inhibition. BDE3 was a potent, mixed/competitive inhibitor with IC 50 values of 5.86 μM (h3β-HSD1) and 12.35 μM (r3β-HSD4), significantly more potent than BDP (IC 50  ∼ 100 μM). Mechanistic studies using pregnenolone as substrate confirmed mixed/competitive inhibition for both compounds, indicating binding at the steroid substrate site, while analysis with NAD⁺ suggested mixed/noncompetitive inhibition. Molecular docking and dynamics simulations corroborated these findings, indicating BDE3 and BDP binding at the steroid/NAD⁺ interface with favorable binding energies, stabilizing the active-site conformation. Network toxicology analysis identified HSD3B1 (encoding h3β-HSD1) as a central hub gene linking PBDE exposure to preeclampsia, enriched in steroidogenesis and estrogen signaling pathways. Single-cell RNA-seq analysis revealed predominant HSD3B1 expression in extravillous and syncytiotrophoblasts, with reduced expression in preeclampsia. In silico virtual knockout of HSD3B1 predicted downstream disruption of cell cycle regulation and steroidogenic pathways. Pharmacokinetic predictions indicated both compounds have high intestinal absorption but potential hepatotoxicity. These results suggest that BDE3 may act as a potent inhibitor of placental 3β-HSD, potentially linking its disruption of progesterone synthesis to adverse pregnancy outcomes.

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Inorganics · 2026 ·Vol. 14 ·期 10 ·250 · IF 3.4

Synthesis, Hypoxia-Selective Anti-Oral Cancer Activity and Mechanism of a CA IX-Targeting Platinum(II) Complex Based on Pyridoxal 4-Sulfamoylphenylhydrazone

Jinxu Qi,Yanan Kou,Yunyun Zheng,Xianguang Bai,Bin Li

Tumor-mediated hypoxia resistance severely limits the therapeutic efficacy of conventional platinum-based drugs against oral cancer. Targeting carbonic anhydrase IX (CA IX), which is specifically overexpressed in hypoxic tumor cells, represents an effective strategy to reverse chemoresistance. In this work, a novel CA IX-targeting platinum(II) complex was synthesized using pyridoxal 4-sulfamoylphenylhydrazone as the ligand. Single-crystal X-ray diffraction reveals its stable square-planar coordination geometry in the solid state. Enzymatic assays revealed that the complex exhibited negligible inhibition toward the normal CA II isoform and displayed potent inhibitory activity against CA IX (Ki= 26.5 nM), superior to the ligand and the positive control compound U-104. Molecular docking suggests its stable binding to the active pocket of CA IX. In vitro assays exhibited notable hypoxia-selective cytotoxicity against oral cancer HSC-2 cells, with an IC50value of 3.7 ± 0.2 μM under hypoxic conditions. Mechanistic investigations suggest that the complex may induce oral cancer cell death partly by elevating intracellular reactive oxygen species (ROS) levels and activating the mitochondrial-mediated apoptotic pathway. It should be noted that the solution-state behavior, aquation, and hydrolysis of this platinum complex have not been experimentally explored in the present study; thus, the biologically active platinum-containing species remains uncharacterized, and the observed bioactivity cannot be unequivocally assigned to the intact solid-state complex. This study provides new insights and experimental support for the development of hypoxia-responsive platinum-based agents targeting CA IX against oral cancer.

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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY · 2026 · IF 6.7

Coordinated Engineering of Noncatalytic and Active-Site Regions in a Thermophilic D-Tagatose 4-Epimerase Enhances D-Tagatose Bioconversion from D-Fructose

Zhihong Zhu,Liqun Shen,Cheng Yu,Yang Li,Bo Zhang,Lingfei Hua,Zhibo Leng,Zijie Li

D-Tagatose is a low-calorie rare sugar with glycemic control and obesity prevention benefits, making it a promising functional sweetener. One-step epimerization of D-fructose to D-tagatose by D-tagatose 4-epimerase (T4E) is an attractive approach, but current T4Es suffer from low activity and poor thermostability. To address this, a novel T4E from the Thermoproteales archaeon (TaDt4e) was identified and engineered. A truncation variant Δ104–123 increased activity by 76.9%, and directed evolution produced the double mutant S46A/I113M with a 153.8% increase over wild-type enzyme. Using 100 g/L D-fructose, whole-cell biotransformation with S46A/I113M achieved 12.1% conversion within 10 min, and the purified enzyme reached 23.8% within 90 min. These results show that coordinated engineering of noncatalytic and active-site regions can substantially improve the catalytic performance of TaDt4e. This study not only identifies TaDt4e as a promising candidate for D-tagatose production, but also provides insights into the semirational or rational engineering of T4Es and related enzymes.

✓ 已验证 DOI PubMed 高影响因子
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INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES · 2026 ·Vol. 27 ·期 12 ·5251 · IF 5.6

Copper-Doped Porous Carbon Derived from Biomass Substrate: A High-Efficient Catalyst for the Thermal Decomposition and Combustion Performance of DAP-4

Yiming Wang,Jinchao Qiao,Qiang Zhou,Zichen Yan,Liwei Zhang

To address the urgent demand for eco-friendly and low-cost catalysts to replace toxic heavy-metal additives in energetic materials, this work focuses on developing biomass-derived copper-doped porous carbon (CuPC) as a high-efficiency catalyst for the thermal decomposition and combustion of molecular perovskite energetic material (H2dabco)NH4(ClO4)3(DAP-4). Biomass carbonaceous material has garnered extensive attention in many fields, owing to the low cost, high utilization efficiency, and environment protection. Herein, the CuPC catalysts were rationally designed and fabricated via the high-temperature carbonization treatment of biomass carbonaceous material precursor. The catalytic effects of CuPC on the thermal decomposition and combustion characteristics of DAP-4 were systematically investigated. The results revealed that CuPC possessed inherent catalysis property on the decomposition and combustion reaction of DAP-4. CuxOynanoparticles were uniformly distributed on the surface of carbonized biomass substrates, endowing the catalysts with superior dispersibility. Thermal analysis results indicated that the addition of 5 wt% CuPC-3 reduced the thermal decomposition peak temperature from 378 °C of raw DAP-4 to 350 °C of DAP-4/CuPC-3. Moreover, the apparent activation energy of DAP-4 was notably decreased with the incorporation of CuPC catalysts. The combustion characterization results demonstrated that DAP-4 exhibited a more intense combustion process with the addition of CuPC, accompanied by elevated maximum combustion temperature and enhanced combustion heat. The catalytic mechanism of CuPC on the thermal decomposition and combustion of DAP-4 was further proposed. This work provides a targeted strategy for designing sustainable biomass-based catalysts to optimize the energy release performance of advanced molecular perovskite energetic materials.

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Journal of Materials Chemistry C · 2026 · IF 5.1

Co-substitution of Zn 2+ /Ge 4+ pair within garnet phosphors activated by Er 3+ for enhancing luminescence properties and optical thermometry

Yuanhao Chen,Xiaoshan Zhang,Yirong Liu,Haisheng Liu,Dechao Yu,Dawei Zhang

Gadolinium gallium garnet has been emerging as a starlet for preparing efficient luminescent materials, while via crystal field engineering the luminescence properties of rare-earth activator in its solid solution phosphors were scarcely explored. In this work, Er 3+ -doped Gd 3 Zn x Ga 5-2x Ge x O 12 (GZG 5- 2x G:Er 3+ ) solid solutions were prepared by high-temperature solid-state reaction, where a hetero-valent co-substitution strategy was implemented via introducing Zn 2+ /Ge 4+ pair to replace 2 Ga 3+ sites. X-ray diffraction Rietveld refinements confirm all samples crystallized into pure garnet phase. Upon 381 nm excitation, Er 3+ concentration was spectrally optimized to be about 10%, substituting the Gd 3+ sites, and via the Zn 2+ /Ge 4+ co-substitution, luminescence intensity of GZG 2 G:10%Er 3+ increases by more than 3 times in comparison with that of the baseline GZGG:10%Er 3+ sample. All the GZG 5-2x G:10%Er 3+ solid solution samples color in bright green under illumination using an ultraviolet ~ 365 nm lamp.Thermometric properties of Er 3+ 2 H 11/2 -4 S 3/2 thermally coupled levels of were systematically studied on basis of fluorescence intensity ratio principle. The GZG 5-2x G:10%Er 3+ all can perform temperature sensing over a wide temperature range of 298-573 K with a maximum relative sensitivity (S r ) above 1.20% K -1 and an applicable minimum temperature resolution (δT) around 0.4 K. Continuous exploration of solid solution-manipulating luminescent properties would develop novel thermometry probes (particularly for activator with spin-allowed transitions) with higher S r and smaller δT for practical optical temperature sensing.

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JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS · 2026 ·Vol. 37 ·期 9 ·665 · IF 3.2

Effect of Sr2+ substitution on crystal structure, Raman characteristics and microwave dielectric properties of KCa1-xSrxPr(MoO3)4 ceramics for ULTCC applications

Su Xiuyuan,Chen Yuan-Bin,Chen Junyu,Ma Shijie,Lin Haiqiang

In this study, Sr 2+ was employed to substitute Ca 2+ in KCaPr(MoO 3 ) 4 ceramics. Such ion substitution was found to effectively enhance the Q × f value of KCaPr(MoO 3 ) 4 and moderately decrease its sintering temperature. Scanning electron microscopy (SEM) observations and density measurements indicated satisfactory sintering characteristics of this series of ceramics. Meanwhile, X-ray diffraction (XRD) and Raman spectroscopy analyses suggested the formation of a solid solution without obvious secondary phases or impurities, verifying the successful preparation of single-phase molybdate ceramics. On the basis of P–V–L theoretical analysis, it was suggested that K/Ca/Pr–O bonds mainly contribute to the bond ionicity (fᵢ), whereas Mo–O bonds exert considerable influences on the lattice energy (U), bond energy (E), and thermal expansion coefficient (α). Among the as-prepared ceramic samples, KCa 0.98 Sr 0.02 Pr(MoO 3 ) 4 exhibited the most favorable dielectric properties at 700 ℃ with a relative permittivity (εᵣ) of 10.744, a quality factor-frequency product (Q ×  f ) of 89 349 GHz, and a temperature coefficient of resonant frequency (τ f ) of − 59.947 ppm/  C. Benefiting from the ion substitution strategy, the obtained materials possessed relatively low sintering temperatures and high Q ×  f values, suggesting promising potential for application in ultra-low-temperature co-fired ceramics (ULTCC).

CAS / MDL: 1313-27-5 584-08-7
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JOURNAL OF FOOD COMPOSITION AND ANALYSIS · 2026 · IF 5.3

Ethyl (Z)-2-cyano-4-oxo-3,4-diphenylbut-2-enoate: A novel fluorescent probe for selective detection of vanillin in food samples

Qingqing Zou,Dan Zhou,Shan Mou,Shuixin Ding,Yingjuan Wang,Chunyan Su,Qianchun Zhang

Vanillin is widely used in food and industrial applications, but excessive intake of vanillin can pose health risks. Therefore, the development of novel detection strategies with high sensitivity and selectivity is essential for the accurate identification of vanillin. Ethyl ( Z )-2-cyano-4-oxo-3,4-diphenylbut-2-enoate (ECOD), a novel fluorescent probe, was synthesized by an elimination reaction using ethyl cyanoacetate, benzil, and aqueous ammonia as raw materials. The probe exhibited maximum fluorescence excitation and emission wavelengths at 300 and 340 nm, respectively, with a quantum yield of 22.6%. ECOD was found to have high selectivity and sensitivity for the detection of vanillin. This was attributed to ECOD binding to vanillin, which induced conformational changes and triggered intermolecular charge transfer (ICT), ultimately resulting in fluorescence quenching. Therefore, a fluorescence-based method was established for the quantification of vanillin in biscuits, candy, and milk sauce. The linear detection range was 1.0–100 µM and the detection limit was 0.33 µM. The recoveries ranged from 93.2% to 113%, with an RSD ranging from 2.8% to 10%. These results indicated that ECOD had significant application potential in food analysis, suggesting that the fluorescence method based on ECOD could provide a novel approach for rapid vanillin determination in complex food matrices.

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