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SOLID STATE IONICS · 2017 · IF 2.354

Carbon-coated NaTi2(PO4)3 composite: A promising anode material for sodium-ion batteries with superior Na-storage performance

Xujiao Yang,Kaiying Wang,Xianli Wang,Guangli Chang,Siao Sun

NASICON-type NaTi 2 (PO 4 ) 3 material has been extensively studied as a promising anode for sodium-ion batteries due to the open 3D framework with the large interstitial spaces, high theoretical capacity and small volume change during cycling process. However, the practical application of NaTi 2 (PO 4 ) 3 is hampered because of its low electronic conductivity . Herein, a simple approach along with post-annealing has been designed and adopted to prepare the carbon-coated NaTi 2 (PO 4 ) 3 (NaTi 2 (PO 4 ) 3 @C) composite. The as-prepared anode material is characterized by XRD , SEM, TEM and Raman spectrum . The electrochemical measurements reveal that NaTi 2 (PO 4 ) 3 @C has excellent Na-storage performances including high reversible capacity (112.6   mAh   g −   1 at 0.2   C) and good rate capability (87.1   mAh   g −   1 at 5   C). The superior electrochemical performance can be resulted from the synergistic effects of the nanosized NaTi 2 (PO 4 ) 3 particles and conductive carbon layer .

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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2014 · IF 2.045

Investigation of Surface Properties and Solubility of 1-Vinyl-3-alkyl/Esterimidazolium Halide Ionic Liquids by Density Functional Methods

Yimei Tang,Xiaoling Hu,Ping Guan,Tian Tian,Shuangjie Wang

A series of 1-vinyl-3-alkylimidazolium halide ([VRIM]X) and 1-vinyl-3-esterimidazolium chloride ([VEIM]Cl) ionic liquids, a functional material with unsaturated bonds, were synthesized by using microwave-assisted synthesis method. The structures were characterized by 1H NMR. Through Gaussian09/B3PW91/6-311G (2d,p) density functional methods, the interaction energies of ion pairs of [VRIM]X and [VEIM]Cl were obtained. The relationships between the surface tensions and temperature (293.15 to 333.15) K, molecular structure, and the interaction energies of ion pairs, etc. along with the relationships between the solubility and molecular structure, common solvents, and the interaction energies of ion pairs, etc. were discussed systematically. The results showed that surface tension decreased linearly with temperature and decreased with the elongation of the alkyl chain length on cation and the decrease of interaction energies of ion pairs. With decreasing dielectric constant of solvent or the increase of the anion size, the solubility of the title ionic liquids decreased. With the elongation of the alkyl chain length, the interaction energies of ion pairs decreased, and the solubility in polar solvents had decreasing trend. The relationship between the surface tensions and solubility parameter for [VRIM]Br was expressed by using Hildebrand–Scoff equation.

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CHEMICAL ENGINEERING JOURNAL · 2025 · IF 13.2

Dynamic 3-hydroxyflavone-modified D-alanine nanoparticles for metabolic-incorporation in anaerobic, pathogenic biofilms generating CO in infected periodontal pockets

Da-Yuan Wang,Jing Li,Xiao-Han Tian,Siyu Zhang,Yao Chen,Feihe Ma,Henk.J. Busscher,Jing Shen,Linqi Shi

Light-activatable CO-generating molecules such as 3-hydroxyflavone (3-HF) derivates, are water-insoluble, which limits their applicability for infectious biofilm control. Here, a 3-HF-modified type of D-alanine (3-HFD) was coupled with hexadecyltrimethylammonium-bromide (CTAB) to self-assemble into water-suspensible, hydrophilic nanoparticles. Self-assembled 3-HFD nanoparticles did not generate CO upon visible-light irradiation, but dynamically disassembled upon metabolic-incorporation in bacterial cell-wall peptidoglycan of Gram-positive and Gram-negative periodontal pathogens, leaving molecular 3-HFD inside the cell-wall that generated CO upon visible-light irradiation. In vitro , visible-light irradiation of aerobic Staphylococcus aureus and anaerobic Porphyromonas gingivalis biofilms in presence of 3-HFD nanoparticles yielded CO-generation with strong antibiofilm activity under atmospheric oxygen conditions and in a nitrogen atmosphere. 3-HFD nanoparticles were subsequently applied for treatment of ligature-induced periodontitis in specific-pathogen-free rats with P. gingivalis inoculated, periodontal pockets. Irrigation with nanoparticle suspensions and visible-light irradiation of P. gingivalis infected periodontal pockets was demonstrated to yield in-pocket CO-generation. CO-generation improved bone-regeneration, modulated macrophages to attenuate immune-inflammation and reduced P. gingivalis colony-forming-unit counts, while hardly affecting total colony-forming-unit counts. This points to selective elimination of CO-susceptible pathogens and restoration of a healthy periodontal microbiome, as confirmed using 16S rRNA microbiome analyses. Herewith, an effective, non-surgical and non-antibiotic based three-in-one CO-based treatment of periodontitis is proposed.

CAS / MDL: 548-62-9 69320-88-3
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Antioxidants · 2025 ·Vol. 14 ·期 10 ·1256 · IF 6.6

Lacticaseibacillus paracasei JY062 Postbiotic Alleviated 3% DSS-Induced Colitis in Mice via Integrated Antioxidant, Barrier Repair, Immunomodulatory and Microbiota Modulation

Jinfeng Guo,Yilin Sun,Kaiqi Gao,Haijie Zhao,Yue Su,Ying Zhao,Yu Zhang,Yujun Jiang

Ulcerative colitis (UC) with multifactorial etiology remains clinically challenging. While current pharmacotherapies alleviate symptoms, their long-term application is constrained by significant side effects.Lacticaseibacillus paracaseiJY062 postbiotic (Pa JY062) exerts multi-target therapeutic effects via integrated antioxidant, barrier repair, immunomodulatory and microbiota modulation for UC. Pa JY062 exhibited potent antioxidant capacity and reduced reactive oxygen species (ROS) in Caco-2 cells. In DSS-colitis mice, high-dose Pa JY062 (HP, 800 mg/kg) restored intestinal barrier integrity (Evans blue permeability: 0.0547 vs. 0.107,p< 0.01), enhanced antioxidant defenses (SOD: 9.43 vs. 5.5; GSH-Px: 62.74 vs. 40.94 U/mg protein,p< 0.01), and rebalanced Th1/Th2/Th17/Treg responses.LigiLactobacillus murinus(L. murinus) was enriched, whileBacteroides acidifaciens(B. acidifaciens) was diminished, SCFAs increased (acetate 2772.70 ± 21.08, propionate 669.84 ± 6.79, butyrate 324.14 ± 0.42 μg/g). Spearman correlations linkedL. murinusto barrier proteins (ZO-1/Occludin/E-cadherin), contrastingB. acidifaciens–inflammation associations. These findings revealed that Pa JY062 exerted multi-target therapeutic effects on UC, and offered a wider array of options for intestinal health. Pa JY062 represents a promising natural antioxidant-based strategy for UC management.

CAS / MDL: 21668-81-5
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Frontiers in Chemistry · 2019 · IF 3.782

A Simple Metal-Free Cyclization for the Synthesis of 4-Methylene-3-Substituted Quinazolinone and Quinazolinthione Derivatives: Experiment and Theory

Yan Huihui,Xiao Xu-Qiong,Hider Robert C.,Ma Yongmin

A new series of 3-substituted 4-methylene-quinazolinthiones and 4-methylene-quinazolinones were synthesized in moderate to excellent yield through a simple reaction of 2-aminoacetophenones with isocyanates or isothiocyanates. The reaction shows good tolerance of many important functional groups in the presence of air and water under metal-free conditions. Only water is produced as a coproduct, rendering this “green” methodology a highly versatile and eco-friendly alternative to the existing methods for the construction of the quinazolinone/quinazolinthione framework. We have interpreted the reaction mechanism by use of quantum chemical calculations on the basis of state-of-the-art computational methods SMD-B3LYP-D3(BJ)/BS1//B3LYP/BS1.

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JOURNAL OF ALLOYS AND COMPOUNDS · 2026 · IF 6.7

Mechanism exploration of abnormal dual luminescence in Mn2+-doped NaZr2(PO4)3 phosphate phosphors and their prospective anti-counterfeiting applications

Xiaokun Li,Jiejun Ren,Lina Chen,Xianbao Duan,Zhanhui Zhang

Mn 2+ -doped dual-emission luminescent materials have recently attracted significant interest. However, the distribution of Mn 2+ ions is highly dependent on the host crystal structure, the lattice sites, and the doping concentration. How to analyze and clarify the dual-emission mechanism of Mn 2+ has become a major challenge; thus, this work synthesized NaZr 2 (PO 4 ) 3 : Mn 2+ phosphate phosphors and systematically investigated their doping behavior and luminescence mechanisms. The synthesized NaZr 2 (PO 4 ) 3 : Mn 2+ phosphate phosphors exhibited dual broadband emission centered at 480 nm and 565 nm, respectively. Density functional theory (DFT) calculations confirmed the existence of different Mn doping configurations and their corresponding formation energies. The results revealed that at low concentrations, the Mn ions (Mn1) preferentially substitute Na sites; while at high concentrations, the later Mn ions (Mn2) substitutes Zr sites and interact with pre-existing Mn1 to form Mn-Mn dimer. Notably, the emission spectra of the phosphors were sensitive to both Mn 2+ doping concentration and excitation wavelength. The Commission Internationale de l′Éclairage (CIE) chromaticity coordinates could be tuned within the range of (0.2463, 0.3478) to (0.4128, 0.4733), enabling adjustable luminescence from cyan to yellow. Furthermore, leveraging the dual-wavelength emission and high contrast characteristics of this phosphor, we fabricated an anti-counterfeiting dot matrix displaying the information "WIT" via ASCII code and achieved clear fingerprint visualization. This work clarifies the doping site preference of Mn 2+ and the underlying mechanism of dual luminescence, paving the way for the applications of transition metal phosphors in fields such as information encryption and fingerprint visualization.

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ChemistrySelect · 2026 ·Vol. 11 ·期 8 ·e07116 · IF 2.3

Highly Sensitive and Rapid Determination of 3-amino-2- oxazolidinone in Animal Food by AuNPs/CMP Modified Screen Printing Electrode

Xiongtao Yu,Haiping Xu,Rui Wang,Feng Zhou,Chunmin Yang

In this manuscript, Au nanoparticles (AuNPs) and a nanospherical conjugated microporous polymer (CMP) were prepared and then modified on the surface of screen-printed carbon electrode (SPCE) to construct an electrochemical sensor for high sensitivity and rapid detection of 3-amino-2-oxazolidinone (AOZ). The preparation process of the materials and electrodes were characterized by scanning electron microscope (SEM), transmission electron microscope (TEM), cyclic voltammetry (CV), differential pulse voltammetry (DPV) and electrochemical impedance (EIS), and the test conditions were optimized. Under optimal conditions, the oxidation peak current of AOZ and the concentrations show a wider linear relationship in the ranges of 1.0×10 −8 ∼1.0×10 −6 and 1.0×10 −6 ∼ 1.0×10 −4 mol/L ( R 1 2 = 0.996, R 2 2 = 0.998), respectively, and a lower detection limit which is as low as 3.3×10 −9 mol/L (S/N = 3) compared to existing methods. The reason for this result may be that CMP exhibited abundant porous structures and numerous active sites, which could significantly improve response sensitivity; AuNPs also possess high specific surface area and make the diffusion and transport of electrolyte ions easier. CMP-AuNPs nanocomposites greatly improved the electron transport rate, signal intensity and electroactive surface of SPCE, thereby improving the sensitivity of the sensor. It is worth noting that the sensor also has strong anti-interference ability, stability, and reproducibility. When applied to detect AOZ in real samples, it also showed good recovery rate. Compared with HPLC-MS/MS, the sensor also obtained good accuracy and consistency, which has great application potential for rapid on-site analysis and detection in animal-derived food not only for AOZ but also for Furazolidone (FZD).

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JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS · 2026 ·Vol. 37 ·期 4 ·287 · IF 2.8

La3+-substituted Nd2[Zr0.89(Bi0.5Ta0.5)0.11]3(MoO4)9 ceramics: structure, dielectric properties, Raman analysis, and P–V–L theory

Tang Ruxuan,Chen Yuan-Bin,Su Xiuyuan,Tang Ling

With the rapid development of 5G/6G mobile communication technology, microwave dielectric materials are facing increasingly strict performance requirements. As core fundamental materials for modern communication systems, performance optimization of microwave dielectric ceramics has become a research hotspot. Addressing the limitations of single-phase ceramic materials, dense microwave dielectric ceramics of (Nd 1- x La x ) 2 [Zr 0.89 (Bi 0.5 Ta 0.5 ) 0.11 ] 3 (MoO 4 ) 9 ( x  = 0.01, 0.03, 0.05, 0.07) were prepared by the conventional solid-state reaction method. The experimental process involved 550 °C pre-sintering followed by gradient sintering at 600–725 °C (4 h holding time). X-ray diffraction (XRD) analysis confirmed that all samples exhibited trigonal crystal structure with \(R\overline{3} c\) space group. The lattice parameters were obtained by Rietveld refinement method. Scanning electron microscopy (SEM) characterization indicates that compactness has a significant impact on the dielectric constant ( ε r ) and the quality factor ( Q  ×  f ). Raman spectroscopy analysis indicated strong associations of ε r and Q  ×  f values with characteristic peak shifts and full width at half maximum ( FWHM ), respectively. When sintered at 675 °C, the NLZBTM ( x  = 0.03) ceramics exhibited exceptional comprehensive performance: ε r  = 11.24 ± 0.02, Q  ×  f  = 116,914 ± 5738 GHz, and τ f  = − 37 ± 1.5 ppm/℃. The bond property analysis based on the P–V–L theory shows that the ionicity of the Nd/La–O bond makes the greatest contribution to εᵣ , while the covalency of the Mo–O bond significantly affects the Q  ×  f value and τ f parameter. It is noteworthy that this material achieves low-temperature sintering at 675 °C while maintaining excellent microwave dielectric properties, demonstrating significant potential as a candidate material for low-temperature co-fired ceramics (LTCC).

CAS / MDL: 1312-81-8 1313-97-9
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JOURNAL OF ELECTROANALYTICAL CHEMISTRY · 2026 · IF 4.1

Facile Aptasensor with enhanced electrochemiluminescence by nanozyme in nanoporous silica film for highly sensitive detection of carbohydrate antigen 15–3

Liuyi Huang,Xinhui Gu,Fengna Xi

Establishing sensitive detection method for carbohydrate antigen 15–3 (CA15–3) is of great significance for the early diagnosis and therapeutic monitoring of breast cancer. Herein, an electrochemiluminescence (ECL) sensor was fabricated by growing Co 3 O 4 nanoparticles in-situ within nanochannels and employing a signal gating strategy, achieving highly sensitive detection of CA15–3. Using simple Stöber method, a silica nanochannel film (SNF) was deposited onto an indium tin oxide (ITO) glass electrode. This two-dimensional (2D) nanoporous silica film provided a confined space, within which Co 3 O 4 nanozymes were synthesized in situ. Co 3 O 4 served as a peroxidase (POD)-mimic nanozyme, enabling the catalytic conversion of hydrogen peroxide (H 2 O 2 ) into reactive oxygen species (ROS). Functioning as a nanocatalyst, Co 3 O 4 remarkedly enhanced the electrochemical oxidation of luminol, thereby boosting the ECL signal. This dual enhancement mechanism enabled the sensor to achieve high luminol-based ECL signal. The bio-recognition interface was constructed by functionalizing the outer surface of SNF with silane coupling agents and immobilizing aptamers. A measurable decrease in the ECL signal was generated due to the hindered diffusion of the emitter and co-reactant and increased interfacial resistance, which occurred when the aptamer-CA15–3 complex formed on the electrode surface. This response allowed for the quantification of CA15–3. Under optimal conditions, the developed aptasensor can detect CA15–3 in the range of 0.1 to 10,000 mU/mL, with a limit of detection of 26 μU/mL. Owing to its merits of simple fabrication, rapid analysis, high sensitivity, good reproducibility, and excellent selectivity, the developed immunosensor holds great potential for clinical diagnostics of tumor biomarkers.

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Food Frontiers · 2026 ·Vol. 7 ·期 1 ·e70225 · IF 6.9

Indole-3-Acetic Acid Improves Intestinal Inflammation and Intestinal Barrier Dysfunction In Vitro via the AHR/NF-κB Signaling Pathway

Qiaoyu Sun,Qingqing Zhou,Sitong Ge,Danli Wu,Ping Li,Qing Gu

Impairment of intestinal barrier function is intricately linked to intestinal inflammation. Emerging evidence highlights that tryptophan-derived metabolites from the intestinal microbiota play a crucial role in maintaining the homeostasis of intestinal barrier function. In this study, a Caco-2/HT29 co-culture model was applied to evaluate the effects of indole-3-acetic acid (IAA) on the intestinal barrier and explore its underlying mechanism of action. Results demonstrated that lipopolysaccharide (LPS) caused the transepithelial resistance to drop to 387.5 ± 30.41 Ω·cm 2 , while IAA was able to increase it to 542 ± 31.11 Ω·cm 2 . At the same time, it reduced the paracellular permeability and restored the FITC-Dextran 4 (FD-4) permeability to 108.01%. This phenomenon was accompanied by an upregulation in the expression of tight junction (TJ) proteins. Concurrently, after IAA intervention, aryl hydrocarbon receptor (AHR) pathway was activated, while nuclear factor kappa-B (NF-κB) pathway was significantly inhibited. Furthermore, IAA exerted an inhibitory effect on the LPS-triggered upregulation of inflammatory factors (TNF-α, IL-6, IL-8) in RAW264.7 cells. These findings provide novel insights into the enhancement of intestinal barrier function and the in vitro anti-inflammatory properties of gut microbiota-derived metabolites.

CAS / MDL: 87-51-4 93572-42-0
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FOOD CHEMISTRY · 2026 · IF 9.8

Molecularly imprinted polyphenylboronic acid/carboxylated graphene-based electrochemical sensor for ultrasensitive detection of 3-monochloropropane-1,2-diol in soy sauces

Suozhu Wu,Hao Wu,Guojuan Zhang,Hongyuan Guo

3-Monochloropropane-1,2-diol (3-MCPD) is a common contaminant generated during the heating process of foods. Because of the potential carcinogenic and toxic effects, measuring 3-MCPD is greatly significant to guarantee food security. Here, we developed a molecularly imprinted polyphenylboronic acid/carboxylated graphene (MIPPBA/CG)-based electrochemical sensor to determine 3-MCPD. The MIPPBA/CG composites were prepared by in-situ electrochemical deposition, and CG and MIPPBA were respectively used for electrical signal amplification and specific recognition of 3-MCPD. 3-MCPD was tested by square wave voltammetry utilizing the potassium ferricyanide probe. Under the optimal experimental conditions, our results showed that this sensor had the advantages of simplicity, rapidity, wide response range (1.0 × 10 −12 –1.0 × 10 −3  M), low detection limit (1.4 × 10 −13  M), good reproducibility, excellent stability, and high selectivity, and could detect the 3-MCPD content in different soy sauce samples with satisfactory results, which provided a promising approach for testing the food processing contaminant.

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Journal of Environmental Chemical Engineering · 2026 ·Vol. 14 ·期 2 ·121375 · IF 7.2

Co-pyrolysis of Li(Ni1/3Co1/3Mn1/3)O2 cathodes and polyvinyl chloride plastics for enhanced lithium-ion battery recycling

Jinchuan Dai,Tingting Shen,Zhe Meng,Zuotai Zhang,Xiao-Ying Lu,Feiyun Sun,Yuanyuan Tang

As the production and consumption of electronic products increasingly rely on ternary lithium-ion batteries, the need for effective recycling and disposal methods for these batteries becomes crucial. This study introduces a novel, efficient co-pyrolysis method for recycling Li(Ni 1/3 Co 1/3 Mn 1/3 )O 2 (NCM) cathode materials from spent ternary lithium-ion batteries. Employing a 1.0:0.35 mass ratio of NCM: polyvinyl chloride (PVC) in an oxygen-free environment, high recovery rates of Li (91.3 %), Ni (93.5 %), Co (93.6 %), and Mn (94.5 %) metals are achieved. The NCM cathode materials begin to decompose at temperatures below 500℃ and are fully reduced and segregated into Ni-Co alloy, MnO, and Li 2 CO 3 at 550℃ in this process. Notably, the decomposition and reduction temperature of 550℃ is significantly lower than those reported in other studies. Moreover, the NCM cathode material, were regenerated from the pyrolysis products through a straightforward high-temperature solid-phase process, and the regenerated NCM demonstrates remarkable electrochemical properties with strong cycling and rate performance. This method significantly contributes to environmental conservation, offering a green solution for recycling ternary battery waste while also addressing the challenge of waste PVC plastics. This dual-faceted approach mitigates environmental burden and resource wastage, marking a stride towards sustainable waste management and circular economy.

CAS / MDL: 9002-86-2
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