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POLYMER COMPOSITES · 2025 · IF 4.7

Tailored Glass Fiber Reinforced Nylon 66 Composites With Good Processability, Excellent Thermal, and Mechanical Properties via an Anhydride-Terminated Fluorinated Imide Oligomer: A Combined Method of Experimental Analysis and Molecular Dynamic Simulation

Lei Li,Shumei Liu,Pengwei Duan,Xing Liu,Jianjun Li,Jianqing Zhao

Glass fiber reinforced nylon 66 (GF/PA66) composites have been widely used in a range of industrial applications, but it is still a challenge to design and manufacture GF/PA66 composites with simultaneously improved processability, thermal, and mechanical properties. Here, a novel imide oligomer (FPI) was synthesized and used as a multifunctional modifier. Thanks to trifluoromethyl (  CF 3 ) and anhydride groups, FPI was located at the interface between GF and the PA66 matrix, and enhanced the interfacial interactions via covalent interactions and hydrogen bonds (H bonds), leading to the homogeneous dispersion of GF in composites and the improved processability. In addition, the results were confirmed by molecular dynamics (MD) simulations. The equilibrium torque of GF30/PA-FPI3 (30 wt% GF and 3 wt% FPI) was decreased by 54.2% compared to that of GF30/PA, attributed to the rigid-flexible structure of FPI. Furthermore, unlike conventional flow modifiers that have a negative effect on the thermal, mechanical, and hydrophobic properties of GF/PA66 composites, the glass transition temperature ( T g ), heat deflection temperature (HDT), fracture energy, flexural modulus, and water contact angle of GF30/PA-FPI3 were increased by 10.6°C, 40.3°C, 67.8%, 20.1%, and 26.9° respectively, compared to those of GF30/PA. Therefore, this study demonstrated the potential application of FPI for GF/PA66 composites and provided a promising avenue for preparing high performance GFRP composites as advanced engineering composites.

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JOURNAL OF FOOD SCIENCE · 2025 ·Vol. 90 ·期 6 ·e70310 · IF 3.4

N2 Nanobubbles Synergized With Limonene and Ultrasound for Enhanced Extraction of Terpenes From Camellia Oleifera Shells

Arooj Rehman Sheikh,Miral Javed,Hao Zhang,Qiaojun Jia,Zisheng Luo

Camellia oleifera shells, waste material obtained after oil extraction, contain a significant number of terpenes. This study introduces a novel, eco-friendly, and sustainable method to combine N 2 -NBs with limonene and ultrasound to enhance terpene extraction from food waste. N 2 -NBs suspension stabilized by Tween 80, resulting in 255 nm size with reduced surface tension. Raman spectroscopy indicates strong hydrogen bonding at 1646 cm⁻¹, suggesting that the enhanced release of compounds and micelle formation improved the solubility of terpenes. Meanwhile, SEM demonstrated that the collapse of N 2 -NBs effectively disrupted cell walls. Together, these mechanisms significantly enhanced terpene compounds' release, solubility, and overall yield. Combining Tween 80 and N 2 -NBs with ultrasound achieved a terpene yield of 42.88 ± 1.87 mg/g DW, significantly higher than the 10.96 ± 2.87 mg/g DW from ethanol extraction. These findings highlight the novel eco-friendly approach to effectively extract terpenes, which can be useful for industrial applications. Practical applications The novel, eco-friendly extraction method can be used to reuse food waste. High-yielding extraction method can be used to extract pharmaceutical compounds. Extracted terpenes can be used for various food industry applications.

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Materials · 2018 ·Vol. 11 ·期 10 ·2063 · IF 2.467

Effects of Pyrazine Derivatives and Substituted Positions on the Photoelectric Properties and Electromemory Performance of D–A–D Series Compounds

Xuejing Song,Lingqian Kong,Hongmei Du,Xiangyu Li,Hanlin Feng,Jinsheng Zhao,Yu Xie

Pyrazine derivatives quinoxaline and pyridopyrazine were selected as the acceptors, and benzocarbazole was used as the donor to synthesize four different D–A–D compounds. The results showed that 2,3-bis(decyloxy)pyridine[3,4-b]pyrazine (DPP) exhibited stronger electron-withdrawing ability than that of 2,3-bis(decyloxy)quinoxaline (DPx), because DPP possesses one more nitrogen (N) atom, resulting in a red-shift of the intramolecular charge transfer (ICT) absorption bands and fluorescent emission spectra for compounds with DPP as the acceptor compared with those that use DPx as the acceptor. The band-gap energy (Eg) of the four D–A–D compounds were 2.82 eV, 2.70 eV, 2.48 eV, and 2.62 eV, respectively, for BPC-2DPx, BPC-3DPx, BPC-2DPP, and BPC-3DPP. The solvatochromic effect was insignificant when the four compounds were in the ground state, which became significant in an excited state. With increasing solvent polarity, a 30–43 nm red shift was observed in the emissive spectra of the compounds. The thermal decomposition temperatures of the four compounds between 436 and 453 °C had very high thermal stability. Resistor-type memory devices based on BPC-2DPx and BPC-2DPP were fabricated in a simple sandwich configuration, Al/BPC-2DPx/ITO or Al/BPC-2DPP/ITO. The two devices showed a binary non-volatile flash memory, with lower threshold voltages and better repeatability.Keywords:pyrazine;quinoxaline;benzocarbazole;donor-acceptor-donor;photoelectric properties;electromemory

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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2025 · IF 9.7

Continuous and stable photocatalytic hydrogen peroxide production via π-π engineered microenvironments in covalent organic frameworks enabling spatial separation of radical pathways

Jingjing Jiang,Yushuang Hu,Shijian Zhou,Kaiyuan Xin,Anming Xu,Yuyao Chen,Shaowen Wu,Yan Kong

Hydrogen peroxide (H 2 O 2 ) exhibits substantial potential for applications in sustainable chemistry; however, its photocatalytic synthesis in aqueous media is plagued by key challenges, including inadequate charge separation, unstable reaction intermediates, and cumbersome product recovery processes. This study introduces the benzyl alcohol (BA)-water system integrated with benzo[1,2-b:3,4-b’:5,6-b”]trithiophene (BTT)-based covalent organic frameworks (COFs) to address imitations. The planar, sulfur-rich BTT unit enhances π stacking and interfacial charge separation, while the unique π-π interaction between BTT-n-COFs and BA regulates the charge distribution and optimizes the microenvironment of active sites. This configuration enables BTT-3-COF to achieve an unprecedented H 2 O 2 production of 13,055 μmol g −1  h −1 . More importantly, unlike conventional systems that necessitate catalyst recovery, the present system utilizes inherent phase separation to enable facile and continuous product extraction. Remarkably, the system sustains continuous H 2 O 2 production for over 20 cycles without loss of activity, yielding a ready-to-use solution that proves effective in both inhibiting bacterial growth and degrading pollutants. Experimental and computational analyses reveal a dual-channel mechanism: spatially segregated superoxide radical (∙O 2 − , oil phase) and hydroxyl radical (∙OH, aqueous phase) synergistically drive water oxidation reaction (WOR) and oxygen reduction reaction (ORR). This work presents an innovative example for sustainable and durable photocatalytic H 2 O 2 production.

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ACS Nano · 2025 · IF 16

Deformed One-Dimensional Covalent Organic Polymers for Enhanced CO Electroreduction to Methanol

Yong Liu,Honglei Wang,Yun Song,Charles B. Musgrave III,Pei Xiong,Jiangtong Li,Geng Li,Libei Huang,Jianjun Su,Yinger Xin,Qiang Zhang,Weihua Guo,Mingming He,Tanglue Feng,Xing Li,Molly Meng-Jung Li,Peter A. van Aken,Hongguang Wang,William A. Goddard III,Ruquan Ye

Spatially arranged molecular catalysts in polymeric frameworks, typically in a layered structure, are emerging strategies to mitigate the molecular aggregation and improve the catalytic performance. However, the effect of local coordination induced by polymerization remains underexplored. Here, we develop one-dimensional cobalt-tetra-amino-phthalocyanine-based covalent organic polymers (1D-COP) for the electrochemical CO reduction reaction (CORR). We use carbon nanotubes as ideal templates to induce local curvature of the 1D-COP. The COP on single-walled CNT (1D-COP/SWCNT) catalyst exhibits a maximum methanol Faradaic efficiency of 70% in an H-cell, which exceeds those on wider-diameter multiwalled carbon nanotubes (22% for 4–6 nm and 14% for 10–20 nm). Using X-ray and vibronic spectroscopies, we have observed distinct local geometries and electronic structures induced by the strong interactions between the COP layer and CNT substrates. Density functional theory calculations further support that increased curvature of the COP-SWCNT catalyst enhances the *CO binding species, leading to improved subsequent reduction reactions. Our results highlight the critical role of the local structure in polymeric frameworks for improved electrocatalytic performance.

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Food Bioscience · 2025 · IF 5.9

Structural characterization and probiotic activity of Chenpi polysaccharides prepared by fermentation with Bacillus licheniformis

Yangjincan Liu,Yuqing Huang,Haiming Hu,Huabing Yang,Lei Xiong,Junping Zheng,Tianxiang Zhu,Zhigang Zhang,Hongtao Liu

s Chenpi is a traditional medicinal and edible food in China. Chenpi polysaccharide (CP) is one of the main active components of Chenpi. This study established a fermentation process using Bacillus licheniformis to obtain fermented Chenpi polysaccharides (FCP) with a reduced degree of polymerization. FCP is an acidic polysaccharide exhibiting a molecular weight of 3720 Da. The three predominant monosaccharides in FCP were arabinose (31.75%), galactose (24.77%), and galacturonic acid (20.94%). According to comprehensive NMR studies, its main chain primarily comprised two types of residues: →4)-α-GalA p- (1→ and →4)-α-Gal p , while its side chains started with →2)-α-Fuc p- (1→ or →2)-β-Rha p- (1→ residues, which were further linked to extending residues such as →4)-β-Ara p- (1→ or →5)-α-Ara f- (1→, and ultimately terminated with terminal residues T-β-GalA p , T-β-Glc p , or T-α-Ara f . Compared to commercial pectic polysaccharides (PP), FCP exhibited higher solubility, a looser structure, and lower viscosity. In vitro gut microbiota fermentation demonstrated that FCP substantially enhanced the proliferation of beneficial bacteria, including Paraprevotella and Lachnospiraceae , while suppressing pathogenic bacteria like Shigella . Furthermore, FCP enhanced short-chain fatty acids (SCFAs) production by gut microbiota, particularly acetic and propionic acids. In the single-strain fermentation experiment, FCP promoted the growth of Lactococcus lactis , Pediococcus acidilactici , Parabacteroides distasonis , and Bacteroides thetaiotaomicron . Metabolomic analysis of Bacteroides thetaiotaomicron fermentation broth further revealed that FCP altered the composition of bacterial metabolites, enhancing the biosynthesis of beneficial metabolites, including propionate, 4'-O-methylglucoliquiritigenin, and cyclokievitone hydrate. This study indicated that B. licheniformis fermentation improves the physical and prebiotic properties of CP, providing new insights for the bioprocessing of Chenpi.

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JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY · 2025 · IF 14.3

Truss-inspired ultra-high strength, fire-safe, and thermal insulating double-crosslinked wood aerogels

Yue Xu,Shuhui Liang,Wanying Wang,Chentao Yan,Lubin Liu,Dawei Jiang,Min Hong,Miaojun Xu,Bin Li,Siqi Huo

Bio-based wood aerogel is one of the most promising materials to replace traditional petrochemical-based insulation materials. However, the flammability and poor mechanical strength of bio-based wood aerogels limit their applications in emerging fields. Inspired by a truss-supporting system, this study prepared a multifunctional bio-based cross-linked wood aerogel (TSP@Ca) by a dual hydrogen-ionic bonding strategy involving an oxidized wood cellulose framework, sodium alginate, phytic acid (PA), and Ca 2+ . Finite element simulation and mechanical analysis indicated that the multi-point support structure, resembling a truss framework, formed in the oxidized wood template significantly improved the strength of TSP@Ca aerogel (9.99 MPa), with a 154.84% enhancement relative to that of oxidized delignified wood (TODW). The limiting oxygen index of TSP@Ca3 aerogel was as high as 43.3%, and it can extinguish immediately when the fire was removed. The introduction of PA and Ca 2+ promoted the dehydration, cross-linking, and charring of TSP@Ca aerogel, while the produced phosphorus-containing free radicals played an inhibitory role in the gas phase. Therefore, the peak of heat release rate of TSP@Ca aerogel was 80.66% lower than that of TODW, showing excellent fire safety. Benefiting from the complex heat conduction path and enhanced interface resistance, the thermal conductivity of TSP@Ca was 46.4% lower than that of TODW. The resulting aerogel combines ultra-high mechanical strength, excellent fire resistance, and thermal insulation, aligning with “green” development goals and offering broad application potential in construction, rail transport, and new energy sectors.

CAS / MDL: 2564-83-2 64-19-7
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Metabolites · 2025 ·Vol. 15 ·期 10 ·667 · IF 3.7

Differential Metabolic Analysis of Rhizomes in Shancigu Based on Widely Targeted Metabolomics

Zhu-Yi Gao,Yi-Bo Yang,Li-Cheng Liu,Xue Li,Yan-Bo Huang,Qiang Zhou

Background: Shancigu is a traditional Chinese medicine which is effective at clearing heat, detoxifying, dissipating masses, and resolving nodules. It consists of the dried pseudobulbs of orchids such asCremastra appendiculata, orPleione yunnanensis. To deeply understand the differences in the compositional and pharmacological active compounds in Shancigu, this study employed widely targeted metabolomics to analyze differential metabolites between two Shancigu species,C. appendiculataandP. yunnanensis. Methods: In this study, ultra-performance liquid chromatography–tandem mass spectrometry (UPLC-MS/MS) was used to qualitatively, quantitatively, and differentially analyze the metabolites ofC. appendiculataandP. yunnanensis. Results: Metabolite profiling identified 2890 compounds across 13 classes. Within these, 687 metabolites showed significant differential abundance (23.76% total), including 331 upregulated and 356 downregulated compounds. Pathway enrichment analysis revealed these differential metabolites primarily concentrated in stilbenoid biosynthesis (types I and II) and flavonoid aglycone biosynthesis. The most highly expressed metabolites in theCremastragroup were L-tyrosine, dopamine and 3,4-dihydroxybenzaldehyde-xylose-glucoside, while in thePleionegroup, the most abundant metabolites were 3,5-dihydroxy-2’-methoxy-4-methylbibenzyl, Shancigusin F and aloifol I.C. appendiculatapreferentially accumulates flavonoids and phenolic acids whereasP. yunnanensisfavors terpenoid and nucleotide derivative production. Conclusions: This study identifies key differential metabolites inC. appendiculataandP. yunnanensis, providing basic data for the overall evaluation and breeding of Shancigu, laying a foundation for further quality control and precise medication of Shancigu.

CAS / MDL: 64-19-7
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Journal of Materials Chemistry A · 2025 · IF 9.5

Dilute alloying-induced d–p orbital hybridization in Pd–Bi metallene arrays for electrocatalytic coupling of carbon dioxide and nitrate to urea

You Xu,Hao Chen,Youwei Sheng,Taoyuan Tian,Kai Deng,Ziqiang Wang,Hongjie Yu,Liang Wang,Hongjing Wang

Electrocatalytic urea synthesis from CO2 and NO3− offers a dual solution for greenhouse gas mitigation and industrial effluent valorization, while enabling renewable energy storage. Rational design of advanced catalysts for urea electrosynthesis represents a scientifically critical yet persistently challenging endeavor. In this study, we developed Pd–Bi dilute alloy metallene arrays grown on Cu foam (Pd–Bi/CF) by a two-step galvanic replacement strategy. The optimized Pd10–Bi90/CF could deliver a notable urea yield rate of 2165.2 μg h−1 cm−2 with 45.3% faradaic efficiency at −0.25 V vs. reversible hydrogen electrode (RHE). Experimental and computational studies validated that d-p orbital hybridization between d-block Pd and p-block Bi in Pd10–Bi90/CF modulates the electronic structure of active sites, thereby facilitating adsorption and activation of NO3− and CO2, synergistic generation of key intermediates *NH2 and *CO, and selective C–N coupling toward urea synthesis. This study demonstrates a viable pathway toward optimizing Bi-based catalysts for electrocatalytic urea synthesis.

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CARBOHYDRATE RESEARCH · 2025 · IF 2.5

Azobenzene-modified chitosan composites harnessing high-efficiency photosensitive shape memory behaviors

Ziyun Li,Shuai Yang,Menghua Hou,Sitong Wang,Jiaying Liu,Zhichao He,Zijian Song,Yingchun Li

Chitosan-based shape memory polymers (SMPs) represent a promising class of smart materials for biomedical and packaging applications, yet their development is often limited by the reliance on solutions and thermal stimuli. To enable remote and precise control, this study focuses on developing photosensitive SMPs by conferring light responsiveness to chitosan. Azobenzene-modified chitosan (CSM) was synthesized via a three-step process involving maleic anhydride modification of chitosan followed by free radical grafting with 4-acryloyloxyazobenzene. Composite films (CSMCFs) were then prepared by blending the CSM with poly(vinyl alcohol) (PVA) at varying mass ratios. The chemical structures of the intermediates and the final composite were confirmed by 1 H NMR and FTIR spectroscopy. The incorporation of azobenzene groups was verified by UV–vis spectroscopy, and the thermal properties were assessed by thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). The photosensitive shape memory behavior was quantitatively evaluated by measuring the shape fixation rate (R f ) and shape recovery rate (R r ) under 365 nm UV light irradiation. The optimal composites (CSMCF-3), with a CSM/PVA ratio of 3/7 and 0.5 % azobenzene derivative, exhibited a high shape fixation rate of 97.2 % and an exceptional shape recovery rate of 93.3 % within 300 s. These results demonstrate the high potential of these composite films for applications in smart packaging and biomedical devices where remote, light-triggered actuation is desired.

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Asia-Pacific Journal of Chemical Engineering · 2025 · IF 1.6

The Impact of Organic Constituents in Coal Chemical Wastewater on Additive Adsorption at the Coal Surface: Experimental Investigation and Molecular Dynamics Simulation

Yi Xiang,Zhen Zhao,Fuyan Gao,Zhenghui Zhao,Hang Li,Eric J. Hu,Ruikun Wang

Direct preparation of coal–water slurry using coal chemical wastewater represents an economical and feasible approach for wastewater resource utilization. Unlike clean water, however, the complex organic components in wastewater may exert adverse effects on slurry properties. To explore the mechanism underlying the influence of organic components in coal chemical wastewater on the adsorption characteristics of additives onto coal surfaces, address the issue of slurry property variations arising from slurry preparation with different wastewaters, and verify the technical and economic feasibility of wastewater-based coal–water slurry preparation, this study integrated isothermal adsorption experiments with molecular dynamics (MD) simulations. With deionized water as the control group, the study systematically analyzed the effects of four typical organic pollutants, namely, quinoline, phenol, acetic acid, and 5-hydroxymethylfurfural (5-HMF), on the “coal-additive” adsorption system, while comparing the economic performance of preparation strategies in the context of coal–water slurry production lines. The results demonstrated that the Langmuir model (with a fitting deviation of < 6%) and Δ G 0 ads (all negative values) confirmed the spontaneous nature of the adsorption process. The order of additive adsorption capacity and system interaction energy was determined as quinoline > deionized water > acetic acid > phenol > 5-HMF, where quinoline promoted adsorption whereas the other three components exhibited inhibitory effects. MD simulations revealed that the interaction between coal and additives in deionized water was primarily dominated by van der Waals forces. Organic components reduced electrostatic repulsion but caused a more significant weakening of van der Waals forces, and monolayer adsorption was identified as the optimal microscopic configuration for additives to exert their functional effects—this conclusion was consistent with analyses of adsorption configuration, molecular density distribution, and mobility. Economic analysis indicated that when comparing the two strategies of “adjusting additive dosage” and “ozone oxidation pretreatment,” and taking into account the environmental benefits of wastewater treatment, coal–water slurry preparation using coal chemical wastewater could achieve significant positive benefits under appropriate strategies compared with the conventional method, thereby realizing a win-win scenario for both wastewater treatment and economic gains. This study clarifies the regulatory mechanism of organic components in wastewater on additive adsorption from both macro- and micro-dimensional perspectives, confirms the technical and economic feasibility of coal chemical wastewater-based coal–water slurry preparation, and provides crucial support for advancing the coordinated development of industrial wastewater resource utilization and clean production.

CAS / MDL: 108-95-2 64-19-7 67-47-0
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ANALYTICAL CHEMISTRY · 2025 · IF 6.7

19F NMR-Guided Chiral Analysis and Machine Learning for Absolute Configuration Prediction of Carboxylic Acids

Shuyi Lu,Qian Wu,Shanshan Wang,Dongru Sun,Yan Liu,Shaohua Huang,Biling Huang

19F-labeled molecular probes offer significant advantages in chiral analysis, with their stereostructures playing a critical role in enantiodiscrimination. Rapid and accurate assignment of absolute configurations is particularly important for the pharmaceutical field and asymmetric synthesis. This work presents a comparative evaluation of two 19F-labeled probes as CDAs: aromatic P1 ((S)-1-(2-fluorophenyl)ethylamine) and aliphatic P2 (trans-2-fluorocyclohexanamine), focusing on their enantiomeric recognition of chiral carboxylic acids. The results demonstrate that P1 outperformed P2, particularly in analyzing carboxylic acids with chiral centers positioned several carbons away from the carboxyl group or possessing multiple chiral centers. Density functional theory calculations elucidated the underlying mechanisms, revealing that P1’s great recognition efficiency arises from a larger energy difference between diastereomers and the formation of hydrogen bonds between its fluorine atom and the analytes’ protons. These findings emphasize the importance of probe–analyte interactions in CDA-based enantiorecognition systems for achieving high-resolution discrimination. Moreover, P1 exhibited practical applications in determining ee values and analyzing various brands of ibuprofen capsules and tablets, highlighting its potential for pharmaceutical quality control. Furthermore, we introduced a novel online platform combining a P1-guided 19F NMR approach with machine learning for automated prediction of absolute configurations. This work sheds light on the differences between aromatic and aliphatic probes in enantiorecognition, while introducing an online predictive tool, in favor of the design of 19F molecular probes and the rapid assignment of absolute configurations.

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