ACS Catalysis
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2026
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IF 13.6
Shunwu Wang,Zhenbo Guo,Bing Tang,Jinglin Du,Qianling Zou,Ligang Wang,Xiaohui Li,Xiaodong Zhou,Lang Liu,Yadong Li
Developing chemoselective hydrogenation of alkynes into alkenes is one of the major strategies of the fine chemical industry; however, it presents significant challenges in achieving the semi-hydrogenation of carbon−carbon triple bond (C=C) to carbon−carbon double bond (C=C) without further hydrogenation. Herein, it is proposed that d−p orbital hybridization between the Pd single-atom-cluster sites and the bismuth species can serve as a descriptor for revealing the catalytic activity. Guided by DFT simulation, the well-dispersed Pd clusters and single-atom Pd−O4 sites on Bi-doped hydroxyapatite (PdSA+C/HAP-Bi) are fabricated for semi-hydrogenation of phenylacetylene, realizing the trade-off between activity and selectivity with a robust turnover frequency of 10,140 h−1, surpassing those of the commercial Pd/C catalyst and most of the reported catalysts. It also displays good stability for enduring six cycles with minimal declines in conversion and selectivity. Notably, this catalyst offers a general platform, showcasing broad substrate compatibility across at least 30 types of alkynes. Particularly, the introduction of well-dispersed Bi and PdC can induce prominent electron redistribution at the Pd−O4 sites and adjust the hybridization between the central Pd 3d and Bi 4f orbitals. Simultaneously, the strong electronic coupling in Pd−O−Bi pairs facilitated the d-electron domination near the Fermi level, boosted the activation of H2 and phenylacetylene at PdC sites, and improved the desorption capacity of styrene at Pd−O4 sites. This synergy ultimately lowers the energy barrier for the phenylacetylene semi-hydrogenation.
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PHYTOTHERAPY RESEARCH
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2026
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IF 8.1
Lina Dong,Yuanxia Gao,Qian Li,Guangxin Chen,Dong Yang,Liping Zhao,Xiaojing Liu,Shumei Lin
Ulcerative colitis (UC) is a chronic inflammatory disease of the colon with limited effectiveness and safety of current drug therapies. Betulinic acid (BA) is a naturally occurring pentacyclic triterpenoid present in traditional Chinese medicines used clinically as retention enemas for UC, but its direct effects and mechanisms remain unclear. This study evaluated the therapeutic impact of BA enema in dextran sulfate sodium (DSS)-induced colitis by monitoring disease activity index (DAI), colon length, and histopathology, and by assessing inflammatory cytokines, mucosal tight junction, and mucin-2 (MUC2) expression. Colonic mucosa-associated microbiota were profiled by 16S rRNA gene sequencing. Potential BA targets were predicted using Swiss Target Prediction and validated by molecular docking, molecular dynamics simulations, cellular thermal shift assay, and biolayer interferometry. The functional relevance of the vitamin D receptor (VDR) was examined using a VDR antagonist in vivo and in vitro, and transcriptomic datasets from UC patients were analyzed to define VDR expression patterns. BA enema markedly attenuated DSS-induced colitis, such as reducing the DAI, inhibiting colonic damage, and improving colon length shortening. The BA also significantly restored the tight junction proteins, associated mucin proteins, and mucin-2 (MUC2). The BA reduced potentially pathogenic bacteria in the colonic mucosa. In addition, BA significantly restored the VDR proteins, and the VDR antagonist weakened the effects of BA in vivo and in vitro. The binding site between VDR and BA was Trp286. Transcriptomic analyses confirmed VDR downregulation in UC. These findings indicate that BA enema alleviates experimental colitis in part by targeting VDR to protect the intestinal mucosal barrier and modulate mucosa-associated microbiota, supporting BA as a promising candidate for UC treatment.
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JOURNAL OF COLLOID AND INTERFACE SCIENCE
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2026
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IF 9.6
Shiyi Huang,Hui Cao,Yongjun Lu,Fei-Fei Chen,Yan Yu
Developing efficient monolith catalysts for photocatalytic CO 2 reduction remains fundamentally challenging due to their inherently sluggish charge transfer. Herein, we report a Co 3 O 4 catalyst with serious agglomeration and meanwhile rich in oxygen vacancies (V O -r-Co 3 O 4 ), which achieves an unexpected superior photocatalytic CO evolution rate of 19.56 mmol h −1 g −1 . Experimental results and density functional theory (DFT) calculations reveal that V O play a crucial role in optimizing the CO 2 reduction pathway. Specifically, the abundant V O create a low-coordination environment around Co atoms, substantially weakening the Co O orbital hybridization. This directly induces a significant downshift of the Co 3 d -band center, effectively alleviating the overbinding of reaction intermediates. Consequently, the energy barriers for both the rate-determining *COOH formation and CO desorption are substantially reduced. This work highlights the importance of local electronic modulation in overcoming the charge transport limitations of monolith catalysts, offering a cost-effective strategy to revitalize such materials for solar energy conversion. Download: Download high-res image (146KB) Download: Download full-size image
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JOURNAL OF POWER SOURCES
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2026
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IF 8.4
Bowen Li,Haidong Xie,Hui Tian,Haojie Xu,Kaiyi Chang,Li Zhang,Chang Li,Jiao Hou,Xinwei Wang,Beiping Wang,Hui Lu,Shaolin Yang,Chunping Hou
Silicon suboxides (SiO x ) are promising anodes for lithium-ion batteries, but their practical application is hindered by severe volume fluctuation and sluggish (de)lithiation kinetics. Herein, a hierarchical disproportionated-SiO x -based composite, D-SiO x @NC/C@CNTs/rGO-2, consisting of disproportionated SiO x (D-SiO x ) with in situ generated Si/SiO 2 domains, a nitrogen-doped carbon/carbon (NC/C) interphase, and an interconnected CNTs/rGO conductive framework, is constructed through thermal disproportionation, interphase engineering, and multidimensional conductive-network design. Thermal disproportionation induces the in situ formation of Si domains embedded in a SiO 2 buffering matrix, in which Si provides lithium-storage activity while SiO 2 alleviates volume variation and enhances structural stability. Meanwhile, a conformal nitrogen-doped carbon interphase mitigates chemo-mechanical stress and stabilizes the active interface, and the intertwined CNTs/rGO framework builds an efficient conductive network. As a result, the optimized anode delivers a reversible capacity of 876.4 mAh·g −1 after 500 cycles at 0.5 A g −1 , with a capacity retention of 83.7%, while electrode swelling is suppressed to ≈52% versus ≈159% for bare D-SiO x . Operando electrochemical impedance spectroscopy combined with distribution of relaxation times reveals reduced interfacial polarization and faster apparent Li + transport. A pre-lithiated LFP||D-SiO x @NC/C@CNTs/rGO-2 full cell also shows an initial Coulombic efficiency of 96.15% and stable cycling over 200 cycles.
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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
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2026
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IF 5.4
Zhongjian Wang,Guojun Lv,Jingbo Wang,Zhuoran Zhang,Yuhan Jiang,Yangbin Shen
The strong d-p covalent interaction of Mo-P bonds was obtained. • Lattice doping of P into MoS 2 formed Mo-P bonds in 0.2P-MoS 2. • 0.2P-MoS 2 achieved 91.7% tetracycline degradation under LED irradiation. Antibiotic pollution in water calls for sustainable remediation approaches such as photocatalysis. Despite its promising structure and visible-light response, MoS 2 is hindered by rapid carrier recombination, which severely restrict its photocatalytic efficiency. Herein, we reported a strategy of lattice phosphorus doping into MoS 2 to modulate the electronic structure, broaden visible-light absorption, and facilitate charge separation and migration. The optimized 0.2P-MoS 2 achieved 91.7% degradation of tetracycline (30 mg/L) within 80 min under low-power LED irradiation, with a reaction rate constant 5.5-fold higher than pristine MoS 2 . The superior photocatalytic degradation activity for 0.2P-MoS 2 arises from the narrowest band gap (1.21 eV) and accelerated charge carrier migration originated from the strong d-p covalent interactions in the generated Mo-P bonds. Radical scavenging experiments and electron paramagnetic resonance characterizations identified superoxide radicals (•O 2 − ) and holes (h⁺) as the dominant reactive species. Furthermore, possible photocatalytic degradation pathways of tetracycline were proposed over the 0.2P-MoS 2 catalyst. Moreover, the 0.2P-MoS 2 catalyst maintained high activity after five consecutive cycles, demonstrating its excellent stability. This work offers an electronic structure engineering perspective for rational design of MoS 2 -based photocatalysts and provides a viable approach for antibiotic degradation under low-power light sources, holding substantial promise for environmental remediation. Download: Download high-res image (187KB) Download: Download full-size image Strong d-p orbital hybridization of Mo-P bonds within phosphorus lattice-doped MoS 2 boosts visible-light photocatalytic degradation of tetracycline into CO 2 and H 2 O.
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BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS
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2026
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IF 2.5
Jing Wang,Xintong Chen,Yuanyu Tang,E. Pang,Duo Xia,Yongzhi Chen,Dan He,Kuansong Wang
Phototherapy has gained considerable attention in cancer treatment. Molecules with pronounced near-infrared (NIR) absorption are particularly advantageous for laser-induced phototherapy, as their NIR absorption enables deep tissue penetration while minimizing incidental damage to healthy tissues. In this study, we rationally designed and synthesized a non-fused ring A-D-A-type dye (T8IC4F) exhibiting both NIR absorption and fluorescence properties. Through self-assembly of T8IC4F with DSPE-PEG-NH 2 , water-dispersible nanoparticles (NPs) designated as C4@PEG were fabricated. The resulting C4@PEG NPs exhibit NIR absorption and NIR-II fluorescence properties and demonstrate significant therapeutic efficacy. Upon 808 nm laser irradiation (1 W·cm −2 ), these NPs exhibit a singlet oxygen ( 1 O 2 ) quantum yield of 25.9% and a photothermal conversion efficiency of 61%. These properties enable them to mediate both photodynamic and photothermal therapy, leading to robust antitumor efficacy. Moreover, C4@PEG NPs induce immunogenic cell death, facilitate the release of tumor antigens, and activate an antitumor immune response. These findings suggest that C4@PEG NPs could be applied in cancer phototherapy and immunotherapy.
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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
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2026
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IF 6.7
Bo Zhang,Liqun Shen,Cheng Yu,Zhibo Leng,Zhihong Zhu,Lingfei Hua,Zijie Li
d-Allose, one of important rare sugars, has attracted increasing attention due to its low caloric value and remarkable physiological activities. l-Rhamnose isomerase (L-RI) catalyzes the reversible conversion of d-allulose to d-allose. However, its industrial application is limited by inadequate catalytic efficiency. In this study, L-RI from Clostridium thermosuccinogenes was identified and systematically characterized. Using a semirational protein engineering strategy, loop residues adjacent to the catalytic core and potential active sites predicted by the HotSpot Wizard web server were targeted. The resultant triple mutant N137Q/D258R/A265I achieved a d-allose conversion rate of 21.8% and a productivity of 130.8 g·L–1·h–1 within 1 h using 600 g·L–1 d-allulose. Molecular dynamics (MD) simulations revealed that modulation of loop flexibility enhanced the enzyme turnover rate. By fine-tuning loop flexibility while maintaining the structural integrity of the enzyme, this engineered mutant reduces the risk of enzyme inactivation during prolonged high-temperature catalysis. Collectively, these results highlight its potential for industrial d-allose production and provide valuable insights for the modification of L-RIs and related enzymes.
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PLASMA CHEMISTRY AND PLASMA PROCESSING
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2022
·Vol. 43
·期 2
·491-511
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IF 3.337
Huang Shaoyong,Huang Quanjia,Gan Jiaming,Li Ting,Wang Lei
In this study, Fe-rich sludge was pretreated by dielectric barrier discharge (DBD) and used as a Fenton catalyst for the degradation of 2,4-dichlorophenoxyacetic acid (2,4-D) in aqueous solution, where hydrogen peroxide was in situ supplied from a glow discharge plasma (GDP) in contact with the solution. Synergistic mechanism of the two plasmas during 2,4-D degradation was explored. The Fe-rich sludge pretreated by H 2 -DBD could significantly accelerate the 2,4-D degradation as it converted Fe(III) in the sludge to the active Fe(II). 2,4-D can be completely removed in the presence of H 2 -DBD pretreated Fe-rich sludge with 25 min of GDP at pH 0 3.0 and catalyst dosage of 1.0 g/L. Quenching experimental studies showed that both ·OH (oxidative degradation) and ·H (reductive dechlorination) were responsible for 2,4-D degradation. Reducing radicals (such as ·R and·H) formed during GDP can continuously reduce the Fe 3+ back to Fe 2+ , which further promoted the degradation and dechlorination of 2,4-D. The results of three consecutive experiments indicated the stability and reusability of catalyst. This study provides a potential method for the recycle of Fe-rich sludge as a novel and cost-effective catalyst for 2,4-D removal from aqueous environments, which is significant for the terminal disposal of Fe-rich sludge. Graphical Abstract
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JOURNAL OF COLLOID AND INTERFACE SCIENCE
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2022
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IF 9.965
Sijia Liu,Xifei Zhou,Junxian Qin,Chaohai Wei,Yun Hu
Simultaneous redox reactions on photocatalysts make it possible to use wastewater for hydrogen production . The controlled synthesis of ultrasmall metal carbides effectively enhances the photocatalytic efficiency under this system. Here, we report a new type of cocatalyst in which a three-dimensional (3-D) nitrogen-doped carbon cage (NGC) of metal–organic framework derivatives encapsulates ultrasmall MoC nanoparticles (MoC@NGC), promoting simultaneous degradation of organic pollutants and hydrogen production by ZnIn 2 S 4 (ZIS). Characterization analyses showed that MoC accelerated the separation of the photogenerated carrier and effectively reduced the overpotential of hydrogen evolution , while NGC promoted the good dispersion of MoC particles and provided sufficient sites. The MoC@NGC/ZIS composite exhibited a high hydrogen (H 2 ) evolution rate of 1012 µmol g –1 h −1 , which exceed that of ZIS loaded with platinum. In the coupled system, where the electron donor was replaced with rhodamine B (RhB), the mechanism analysis showed that RhB and the as-generated intermediates consumed holes and facilitated hydrogen evolution. In addition, we designed a combined photocatalytic anoxic and oxic sequence process to achieve the recovery of hydrogen energy during the treatment of dye wastewater. This study provides a new way for cooperation between energy development and environmental protection.
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SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
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2023
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IF 4.4
Xun Zhou,Juerui Zhang,Dongyan Huang,Yinhui Yi,Kechen Wu,Gangbing Zhu
In this work, a ratiometric fluorescence sensing platform was established to detect Cu 2+ and D-PA ( d -penicillamine) based on nitrogen-doped Ti 3 C 2 MXene quantum dots ( N -MODs) that was prepared via a simple hydrothermal method and exhibited strong fluorescent and photoluminescence performance as well as excellent stability. Since the oxidation reaction between o -phenylenediamine (OPD) and Cu 2+ induced the formation of 2,3-diaminophenazine (ox-OPD) which not only can emerge an emission peak at 570 nm, but also inhibit the fluorescence intensity of N -MQDs at 450 nm, a ratiometric reverse fluorescence sensor via fluorescence resonance energy transfer (FRET) was designed to sensitively detect Cu 2+ , where N -MQDs acted as energy donor and ox-OPD as energy acceptor. More importantly, another considerably interesting phenomenon was that their catalytic oxidation reaction can be restrained in the presence of D-PA because of the coordination of Cu 2+ with D-PA, further triggering the obvious changes in ratio fluorescent signal and color, thus a ratiometric fluorescent sensor of determining D-PA was proposed also in this work. After optimizing various conditions, the ratiometric sensing platform showed rather low detection limits for Cu 2+ (3.0 nM) and D-PA (0.115 μM), coupled with excellent sensitivity and stability.
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Brazilian Journal of Pharmaceutical Sciences
·
2023
·
IF 1.3
Mei Xuejiao,Lu Dingqiang,Yan Xiangping
L-Malic acid is the Active Pharmaceutical Ingredient of the latest generation of compound electrolyte injection (STEROFUNDIN ISO, Germany) and plays a very important role in the rescue of critically ill patients. The optical purity of L-malic acid is a Critical Quality Attributes. A new reversed-phase high performance liquid chromatography (RP-HPLC) method for pre-column derivatization of D-malic acid enantiomer impurity in L-malic acid bulk drug was established. The derivatization reaction was carried out using (R)-1-(1-naphthyl)ethylamine ((R)-NEA) as a chiral derivatization reagent. The Kromasil C18 column was used with a detection wavelength of 225 nm, a flow rate of 1.0 mL·min-1, and a column temperature of 30 °C. The mobile phase was acetonitrile-0.01 mol·L-1 potassium dihydrogen phosphate solution (containing 20 mmol·L-1 sodium heptanesulfonate, adjusted to pH 2.80 with phosphoric acid) (at a ratio of 45:55) and the resolution of D-malic acid and L-malic acid derivatization products reached 1.7. The proposed method possesses the advantages of simple operation, mild conditions, stable derivatization products and low cost. Also it gave better separation and was more accurate than previous methods.
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Journal of Energy Chemistry
·
2023
·
IF 13.1
Chuan Hu,Fengli Wei,Qinrui Liang,Qiming Peng,Yuting Yang,Tayirjan Taylor Isimjan,Xiulin Yang
The construction of oxide/metal composite catalysts is a competent means of exploiting the electronic interactions between oxide/metal to enhance catalytic activity. In this work, we construct a novel heterogeneous composite (Ru/HfO 2 -NC) with Ru/HfO 2 nanoparticles nested in nitrogen-doped porous carbon via a zeolitic imidazole frameworks-assisted (ZIF) co-precipitation and calcination approach. In particular, ZIF guides an in-situ construction of nested configuration and confines the scattered nanoparticles. Strikingly, Ru/HfO 2 -NC exhibits unusual ORR activity, superb durability, and methanol tolerance in 0.1 M KOH solution with high half-wave potential ( E 1/2 ) of 0.83 V and follows a near-4e − reaction pathway. Additionally, the ZAB assembled with cathodic Ru/HfO 2 -NC outputs a power density of 157.3 mW cm −2 , a specific capacity of 775 mA h g Z n - 1 , and a prolonged lifespan of 258 h at 5 mA cm −2 . Meanwhile, the catalyst has demonstrated potential applicability in flexible ZAB. As suggested by experimental results and density functional theory (DFT) analysis, the remarkable property possibly originated from the optimization of the adsorption and desorption of reactive intermediates caused by the reconfiguration of the electronic structure between Ru and HfO 2 .
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