Journal of Inorganic and Organometallic Polymers and Materials
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2013
·Vol. 23
·期 6
·1492-1500
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IF 1.174
Zhang Nan,Fan Yu-Hua,Bi Cai-Feng,Zhang Xia,Zhang Peng-Fei,Zhang Zhong-Yu,Li Xin
Three novel transition metal coordination polymers, [Ni(C 18 H 16 N 3 O 2 ) 2 ·2CH 3 OH]
n
( 1 ), [Zn(C 18 H 16 N 3 O 2 ) 2 ·4CH 3 OH]
n
( 2 ) and [Cd(C 18 H 16 N 3 O 2 ) 2 ·2CH 3 OH]
n
( 3 ) (C 18 H 16 N 3 O 2 =2-acetylpyridine- d -tryptophan) were synthesized and characterized by elemental analysis, IR, UV, 1 H NMR and X-ray diffraction single crystal analysis. The analyses of the structures indicate that all three materials crystallize in the tetragonal crystal system, space group P 4 1 2 1 2. They have similar structures; i.e., the Schiff base coordinates in its deprotonated form and behaves as a hexadentate (4N+2O) coordinated ligand to form a distorted octahedron geometry. On the other hand, as a result of the alternate arrangement of chains through N–H···O intermolecular hydrogen bonds interactions, 2-D layers are formed for the three complexes. Furthermore, the luminescent properties and thermal stabilities of the three complexes were investigated.
研究领域:
无机化学
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配位化学
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材料化学
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晶体工程
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光物理化学
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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
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2019
·
IF 3.131
Mingwei Zhao,Mengjiao Cao,Yong Hu,Qianru Yang,Yining Wu,Zhongzhong Chu,Xuewen Hu,Caili Dai
Polymer as non-Newtonian fluids is widely used in oilfield flooding for enhanced oil recovery (EOR). The study on the oil droplet behaviors in polymer solution has a remarkable influence for clarifying the EOR mechanism of polymer flooding. In this paper, factors influencing the oil droplet breakup process, including polymer concentration, pore throat structure, elasticity as well as flow rate, were investigated. It was found that the oil droplets were liable to breakup and the average size of daughter droplet decreased by about a quarter as the polymer concentration increased (from 0.01% to 0.5%). A prediction model for the effect of polymer concentration on the length of the first daughter droplet was established. Furthermore, the relationship between polymer concentration and the length of the first daughter droplet was fitted to an exponential function. After excluding the influence of viscosity, it was found that the elastic property of polymer fluid made the oil droplets more likely to breakup when passing through pore throat.
研究领域:
石油工程
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流体力学
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CARBON
·
2026
·
IF 12.7
Xiaoyan Liu,Wei Ding,Guoxu Wang,Jizheng Zhu,Suzhen Yin,Chengbiao Wei
Lithium-sulfur (Li-S) batteries are promising next-generation energy-storage systems because of their high theoretical energy density. However, their practical application is severely hindered by sluggish sulfur redox kinetics and the shuttle effect of soluble lithium polysulfides (LiPSs). Herein, a MoS 2 @NPCNFs interlayer is designed to immobilize LiPSs and accelerate bidirectional sulfur conversion. The porous and conductive carbon nanofiber framework provides rapid electron/ion transport pathways and facilitates electrolyte penetration, while the MoS 2 component offers abundant catalytic sites for polysulfide adsorption and conversion. As revealed by density functional theory (DFT) calculations, the nitrogen-regulated electronic environment modulates the Δd-p value associated with MoS 2 . This optimized d-p orbital interaction strengthens the coupling between MoS 2 and lithium polysulfides, thereby promoting their chemical adsorption and catalytic conversion. X-ray photoelectron spectroscopy shows obvious binding-energy shifts after Li 2 S 6 adsorption, indicating strong interfacial electronic interactions. Density functional theory calculations further demonstrate that this electronic-structure regulation enhances the LiPSs chemisorption, optimizes the Gibbs free-energy evolution of sulfur redox reactions, and lowers the energy barriers for Li 2 S decomposition and Li + diffusion. Consequently, the MoS 2 @NPCNFs interlayer enables efficient bidirectional catalysis of polysulfide reduction, effectively suppressing the shuttle effect and improving reaction kinetics. The assembled Li-S battery delivers high initial discharge capacities of 1262.9 mAh·g −1 at 0.2C and 916.0 mAh·g −1 at 1C, and maintains excellent cycling stability over 1000 cycles at 1C with a low capacity decay rate of 0.043% per cycle. This work provides an electronic-structure-regulation strategy for designing advanced interlayers toward high-performance Li-S batteries. Download: Download high-res image (276KB) Download: Download full-size image
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Frontiers in Pharmacology
·
2026
·
IF 5.4
Fang Wang,Yan Qing Liu,Jun Nan Wei,Xiao Fen Wang,Feng Qin Li,Xiu Jia Tian,Dan Li,Yu Xuan Gao,Xin Zhi Guo,Xue Yan Li,Ping Luo
Introduction Metabolic dysfunction-associated steatotic liver disease (MASLD) is a highly prevalent chronic liver disorder characterized by intrahepatic lipid accumulation, oxidative stress, and inflammatory responses, underscoring the urgent need for effective therapeutic strategies. D-limonene, a cyclic monoterpenoid primarily derived from citrus fruits, possesses well-documented antioxidant, anti-fibrotic, and wound-healing properties. However, its therapeutic potential in MASLD remains largely unexplored. Methods To evaluate the therapeutic efficacy of D-limonene, a rat model of MASLD was established using a high-fat diet (HFD). An integrated approach combining metabolomics, transcriptomics, and network analysis was employed to identify key signaling pathways and molecular targets. The expression levels of candidate targets were validated by RT-qPCR and Western blotting. Molecular docking simulations were performed to predict the binding affinity between D-limonene and the target proteins. Furthermore, a cellular thermal shift assay (CETSA) was conducted to confirm direct binding and protein stabilization. In parallel, cellular experiments using BRL-3A and HepG2 cells were carried out to assess the effect of D-limonene on lipid accumulation. Results D-limonene treatment significantly ameliorated liver injury, reduced excessive lipid deposition, attenuated inflammation, and suppressed oxidative stress in HFD-induced rats. Integrated multi-omics and network analyses identified the PPAR signaling pathway as the core pathway mediating the regulatory effects of D-limonene on lipid metabolism, with PPARγ and SCD-1 pinpointed as key downstream targets. RT-qPCR and Western blot analyses confirmed that D-limonene significantly downregulated the expression of both PPARγ and SCD-1. Molecular docking simulations revealed stable binding of D-limonene to PPARγ and SCD-1. Importantly, CETSA further demonstrated that D-limonene directly binds to and stabilizes these two proteins. Consistently, cellular assays showed that D-limonene significantly reduced lipid accumulation in BRL-3A and HepG2 cells by inhibiting the PPARγ/SCD-1 axis. Conclusion Collectively, these findings suggest that D-limonene alleviates HFD-induced MASLD, and its protective effects may be mediated, at least in part, through inhibition of the PPARγ/SCD-1 axis. This study provides preliminary evidence supporting the potential development of D-limonene as a targeted therapeutic agent for MASLD. Further studies are warranted to validate these findings and elucidate additional underlying mechanisms.
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BIOMEDICAL CHROMATOGRAPHY
·
2026
·Vol. 40
·期 8
·e70547
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IF 1.7
Yi Zhou,Yuxin Wu,Chenyao Xu,Chenbin Zhang,Congcong Wen,Xianqin Wang,Jianbo Li
Loureirin D is a bioactive dihydrochalcone isolated from Dracaena resin with very high therapeutic value. A sensitive and high-throughput ultra-performance liquid chromatography–mass spectrometry (UPLC–MS/MS) method was developed for the quantitative analysis of loureirin D in rat plasma with only 50 μL of sample per assay. Sample extraction was protein precipitation using acetonitrile, and isoscoparin was used as internal standard (IS). Separation was achieved on the BEH C18 column with a gradient mobile phase of 0.1% (v/v) aqueous formic acid and acetonitrile. Detection was achieved with negative-ion electrospray ionization (ESI) detector in the multiple reaction monitoring (MRM) mode. The method was validated and proved to be linear in the concentration range of 2–2400 ng/mL ( r ≥ 0.995), intraday and interday precision (RSD) was < 15%, and accuracy was 93.3%–110.1%. The extraction recovery was 88.7%–94.4%, and the matrix effects were 87.3%–92.9%. UPLC-MS/MS was used in pharmacokinetics in the rats after administration of loureirin D. The AUC (0– t ) after intravenous administration (1 mg/kg) was 2074.7 ± 180.3 ng · h/mL, and AUC (0– t ) after oral administration (5 mg/kg) was 563.4 ± 61.4 ng · h/mL; the absolute oral bioavailability was 5.4%. Pharmacokinetics showed rapid absorption, large V z / F (52.7 ± 10.7 L/kg), high CL z / F (8.8 ± 0.9 L/h/kg), and extensive first-pass metabolism.
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Foods
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2026
·Vol. 15
·期 14
·2526
·
IF 6
Xiaoxiao Liang,Yiru Cheng,Ruxia Wang,Qian Wang,Peng Tang,Yulong Yin,Xia Xiong
Eucommia ulmoidesleaf extract (ELE) boasts a high concentration of bioactive components including flavonoids, chlorogenic acid, and polysaccharides. It exhibits multiple biological functions, including antioxidant, anti-inflammatory, and gut microbiota-modulating properties, showing great potential in enhancing immunity, maintaining intestinal health, and delaying cellular senescence. This study investigated the protective effects and underlying mechanisms of ELE against D-galactose-induced senescence in chick embryo primary intestinal epithelial cells (IECs). Using an in vitro model (200 mmol/L D-galactose), we found that 100 µg/mL ELE pretreatment significantly preserved cell viability, mitigated apoptosis, and delayed cellular senescence, as evidenced by cytological and biochemical assays. Furthermore, RNA-seq transcriptomic analysis identified seven key differentially expressed genes (DEGs) mediating these anti-aging effects. Mechanistic investigations revealed that ELE modulates ATP6V0D2 and NCF2 to activate autophagy signaling pathways. This ELE-induced promotion of autophagy effectively suppresses inflammatory responses in IECs, thereby delaying senescence progression. These findings elucidate the molecular mechanisms by which ELE antagonizes intestinal cellular senescence, providing a solid theoretical foundation for its development as a functional anti-aging additive in the food industry.
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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
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2026
·
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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ACS Catalysis
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2026
·
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
·
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
·
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
·
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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