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BIOMEDICAL CHROMATOGRAPHY · 2026 ·Vol. 40 ·期 8 ·e70547 · IF 1.7

Development and Validation of a UPLC–MS/MS for Determination of Loureirin D in Rat Plasma and Its Application to Pharmacokinetics

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.

CAS / MDL: 64-18-6
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Small · 2025 · IF 12.1

Dual d–p Orbital Hybridization in NiOx@RP@CoSA: A Synergistic Strategy for Enhanced Photocatalytic Benzyl Alcohol Oxidation and Hydrogen Evolution

Xin Jin,Xuemei Jia,Haili Lin,Qianlong Wang,Xiaoxin Feng,Yujie Zhang,Haoyu Zhang,Jing Cao

Although red phosphorus (RP) is a promising photocatalyst, its performance in simultaneous benzyl alcohol (BA) oxidation and H 2 evolution is constrained by undesirable carrier recombination and sluggish surface reaction kinetics. The d–p orbital hybridization, serving as a crucial mechanism for electronic structure regulation, offers an effective strategy to address the aforementioned challenges. Hence, RP is synergistically regulated by defect-rich nickel oxide (NiO x ) and Co single atoms (Co SA ) to construct a dual d−p orbital hybridized photocatalyst (NiO x @RP@Co SA ). In the NiO x @RP@Co SA system, the Ni 3d–P 2p orbital hybridization optimizes the BA adsorption at Ni sites and reducing the C─H bond activation energy barrier. Meanwhile, the Co 3d–P 2p orbital hybridization is conducive to balancing the hydrogen reduction reaction. In situ characterization combined with density functional theory (DFT) calculations confirms that precise regulation of dual d–p orbital hybridization not only enhances charge separation efficiency but also promotes surface reaction kinetics. The 5NiO x @RP@0.2Co SA exhibited superior photocatalytic performance, which is approximately a 15.48-fold enhancements compared to RP. This work not only elucidates the mechanism of dual d−p orbital hybridization but also establishes a novel paradigm for the design of efficient and multifunctional solar-driven catalytic systems.

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Journal of Mechanical Science and Technology · 2026 · IF 2.2

Surface crosslinked ultrahigh molecular weight polyethylene with vitamin-E and D-sorbitol as synergistic antioxidants for use in total joint replacements

Khalil Muhammad Kaleem Ullah,Gul Rizwan M.,Shah Nouman Ali,Jan Syed Rooh Ullah,Ahmad Adnan,Kamran M. Ali,Xu Jia-Zhuang,Li Zhong-Ming

Wear and oxidation resistance are among the primary requirements for successful and sustainable total joint replacements (TJRs). Both of these factors are major causes of TJRs failure. To address these issues and enhance the service life of TJRs, the effects of vitamin E (VE) and vitamin E-D-sorbitol (VE-DS), which are antioxidants (AOs), on stabilizing ultrahigh-molecular-weight polyethylene (UHMWPE) are presented. These antioxidants were blended with control-UHMWPE at a concentration of 0.3 % by weight and consolidated by compression molding. Wear occurs on the surface, and restricting the crosslinking to a layer on the surface is desirable, as bulk crosslinking reduces the toughness and fatigue strength of the implant. In this study, surface chemical crosslinking of control-UHMWPE, VE-UHMWPE and VE-DS-UHMWPE with dicumyl peroxide (DCP) is presented. The crosslinked density, crystallinity, wear volume, mechanical performance, biocompatibility and oxidation stability assessed by oxidation induction time (OIT) of the UHMWPE blends were characterized through different techniques. The control-UHMWPE blend showed the highest wear resistance but the lowest OIT, while the VE-DS-UHMWPE blend displayed highest crystallinity, best mechanical performance and the highest OIT, exhibiting the synergistic effect of vitamin E and D-sorbitol on the oxidation resistance of UHMWPE.

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GREEN CHEMISTRY · 2026 · IF 9.2

Unlocking the activity of lattice oxygen in P-engineered MoO2 for efficient oxygen evolution reaction: a d-band center modulation perspective

Yi Xu,Fanshu Yuan,Xiaotian Xie,Jinhui Tong,Cheng Min,Qian Zhang,Jie Tang,Jie Liu,Tingting Lv,Qianli Zhang

Activating lattice oxygen in oxygen evolution reactions (OER) serves as an effective strategy to overcome the inherent limitations of the traditional adsorbate evolution mechanism (AEM). Molybdenum dioxide (MoO2), which has attracted attention due to its high electrical conductivity and other metallic properties, exhibits excessive adsorption of oxygen-containing intermediates at its elevated molybdenum d-band center. This leads to the formation of stable Mo–O bonds, thereby hindering the lattice oxygen mechanism (LOM). This study demonstrates that phosphorus doping serves as a more direct strategy for intrinsic electronic structure modulation. DFT calculations predict that phosphorus doping effectively lowers the d-band center of molybdenum and softens Mo–O bonds, thereby enabling lattice oxygen participation in the reaction mechanism. Consistent with the computational results, experimental kinetic studies (e.g., pH-dependent experiments) and chemical probe tests confirm that P-MoO2 follows the LOM pathway. The prepared P-MoO2 catalyst exhibits an overpotential of only 247 mV at 10 mA cm−2 current density while maintaining stability for up to 100 hours. Furthermore, through various characterization techniques (TEM, XPS, in situ Raman spectroscopy), it was observed that the catalyst underwent significant potential-induced surface reconstruction during the reaction process, forming an amorphous MoO(OH)x layer rich in Mo5+. This reconstructed layer is considered the true active phase, where Mo5+ has been confirmed as the dominant valence state in the OER process.

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Journal of Inorganic and Organometallic Polymers and Materials · 2013 ·Vol. 23 ·期 6 ·1492-1500 · IF 1.174

Synthesis, Crystal Structure, Fluorescence and Thermostability of Ni(II), Zn(II), Cd(II) Complexes with Schiff Base 2-Acetylpyridine-d-tryptophan

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 · 配位化学 · 材料化学 · 晶体工程 · 光物理化学
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Science China-Chemistry · 2026 · IF 9.8

Transient pulsed laser synthesis: boosting CO2-ethanol conversion and Li-CO2 batteries performance by p-d orbital hybridization and electron delocalization

Wang Nan,An Tinghui,Li Jiaqi,Wang Yuhao,Xiang Dong,Cai Kedi

Cu-based electrocatalysts are promising for the electrocatalytic CO 2 reduction reaction (eCO 2 RR) to realize valuable chemicals production. Here, a Mg-doped Cu based electrocatalysts via transient CO 2 pulsed laser (L 4 -Mg/Cu x O) was synthesized for highly selective eCO 2 RR to ethanol (C 2 H 5 OH). The synergistic effect of Mg-doping and transient CO 2 pulsed laser irradiation enables excellent eCO 2 RR performance, realizing Faradaic efficiencies (FE) of 52.2% and 74.1% for C 2 H 5 OH and C 2 products under a high current density of 298.9 mA cm −2 , respectively. Operando Raman spectroscopy and DFT simulations results confirm that Mg-doping strategy suppresses the hydrogen evolution reaction (HER), enhances CO adsorption, elevates local pH and accelerates H 2 O dissociation, which could be beneficial for promoting OC–CO coupling and proton supply in eCO 2 RR. Furthermore, Mg incorporation induces electron delocalization in which electron accumulation on the C atom of *CHCOH intermediate and its enhanced p-d orbital coupling with Cu interface, which stabilizes the C–O bond from breakage and selectively favours the C 2 H 5 OH pathway, thus decoupling the selectivity between C 2 H 5 OH and ethylene. When employed in Li-CO 2 batteries, L 4 -Mg/Cu x O delivers 20480 mAh g −1 discharge capacity and cycling stability over 187 cycles. This work presents a universal strategy for regulating eCO 2 RR selectivity through precise laser energy delivery, demonstrating significant potential for renewable energy conversion and storage.

CAS / MDL: 141-43-5
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ACS Catalysis · 2026 · IF 13.6

Engineering d−p Orbital Hybridization Sites in Coupled Pd Atom-Cluster with Bi-Doped Hydroxyapatite for Enhanced Semi-Hydrogenation of Alkynes

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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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2026 · IF 9.6

Modulating d-band center of Co3O4 monolith by defects to boost CO2 photoreduction: from charge transport limitation to surface reaction optimization

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 · 2026 · IF 8.4

Designing hierarchical D-SiOx@NC/C@CNTs/rGO composites via thermal disproportionation and interfacial reconstruction for high-performance lithium-ion batteries

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 · 2026 · IF 5.4

Strong d-p covalent interaction of Mo-P bonds within phosphorus lattice-doped MoS2 boosts visible-light photocatalytic degradation of tetracycline

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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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY · 2026 · IF 6.7

Semirational Engineering of Clostridium thermosuccinogenes l-Rhamnose Isomerase by Targeting Flexible Regions Adjacent to the Active Pocket for d-Allose Biosynthesis

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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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2022 · IF 9.965

3-D nitrogen-doped carbon cage encapsulated ultrasmall MoC nanoparticles for promoting simultaneous ZnIn2S4 photocatalytic hydrogen generation and organic wastewater degradation

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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