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COMBUSTION AND FLAME · 2025 · IF 6.2

Co-pyrolysis of 1-naphthylmethyl radical with allene and propyne: Radical-molecule (C3H4) vs. radical-radical (C3H3) reaction pathways

Zhongkai Liu,Mengqi Wu,Zhaohan Chu,Xiaoqing Wu,Jiabin Huang,Jiuzhong Yang,Bin Yang,Feng Zhang

In this work, we conducted a combined experimental and theoretical investigation into the reactivity of naphthylmethyl radical (1-A2CH 2 , C 11 H 9 ) with allene (aC 3 H 4 ) and propyne (pC 3 H 4 ). Co-pyrolysis experiments of 1-(chloromethyl)naphthalene (1-A2CH 2 Cl) with aC 3 H 4 or pC 3 H 4 were studied using a flash pyrolysis microreactor coupled with synchrotron vacuum ultraviolet photoionization mass spectrometry. Significant signals at m/z = 39 (C 3 H 3 ), attributed to the rapid H-abstraction and/or pyrolysis of C 3 H 4 molecules, were detected in both experiments, indicating concurrent radical-radical (1-A2CH 2 + C 3 H 3 ) and radical-molecule (1-A2CH 2 + aC 3 H 4 /pC 3 H 4 ) reactions. Theoretical calculations reveal that the radical-radical reaction is kinetically favored under experimental conditions compared to the radical-molecule reaction, dominantly forming two C 14 H 12 adducts, 1-(1,2-butadiene-4-yl)naphthalene (1-W1) and 1-(but‑yn-3-yl)naphthalene (1-W2), along with minor amounts of other C 14 H 12 isomers and C 14 H 11 + H products. The computed rate coefficients and branching ratios of various reaction channels expand the analysis to broader temperature and pressure ranges. The radical-radical products (1-W1 and 1-W2) dominate at atmospheric-to-high pressures (>1 atm) or relatively lower temperatures (<1500 K). At higher temperatures and low pressures, competition arises between radical-radical and radical-molecule pathways. Furthermore, the structures of bimolecular products differ significantly between the 1-A2CH 2 + aC 3 H 4 and 1-A2CH 2 + pC 3 H 4 reaction systems, with implications for the formation of larger polycyclic aromatic hydrocarbons.

CAS / MDL: 86-52-2
研究领域: 化学动力学 · 理论计算 · 光谱学
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Agriculture-Basel · 2025 ·Vol. 15 ·期 20 ·2109 · IF 3.6

Differential Modulation of Maize Silage Odor: Lactiplantibacillus plantarum vs. Lactiplantibacillus buchneri Drive Volatile Compound Change via Strain-Specific Fermentation

Shuyuan Xue,Jianfeng Wang,Jing Yang,Yunjie Li,Jian He,Jiyu Han,Hongyan Xu,Xun Zhu,Nasi Ai

Volatile organic compounds (VOCs) are critical indicators of the metabolic status of whole-plant maize silage (WPMS). However, the impact of inoculating various strains of fermentation agents on VOC changes has not been systematically explored. This study aimed to determine how inoculation withLactiplantibacillus plantarumandLentilactobacillus buchnerimodulates the VOC profile and odor of WPMS after 90 days. VOCs were extracted by headspace solid-phase microextraction and analyzed by gas chromatography-mass spectrometry (HS-SPME-GC-MS). Key VOCs were screened using the variable importance in projection (VIP) and substantiated by relative odor activity values (rOAV) and odor descriptions. A total of 82 compounds were identified, including 22 esters, 19 alcohols, 3 acids, 9 aldehydes, 2 ethers, 6 hydrocarbons, 4 ketones, 10 phenols, and 8 terpenoids.L. plantarumenhanced green/fruity odors while strainL. buchnerisignificantly reduced undesirable phenolic and aldehydic compounds. Six key VOCs influencing the odor of WPMS were selected: 4-ethyl-2-methoxyphenol and benzaldehyde, which contribute smoky, bacon, and bitter almond aromas, and (E)-3-hexen-1-ol, benzyl alcohol, (E, E)-2,4-heptadienal and methyl salicylate, which impart green, fruity, and nutty aromas. These findings highlight the effects and contributions of various strain additives on VOCs in WPMS, providing new theoretical insights for regulating the flavor profile of WPMS.

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Catalysis Science & Technology · 2021 ·Vol. 11 ·期 21 ·7060-7071 · IF 6.119

Au/TiO2 nanobelts: thermal enhancement vs. plasmon enhancement for visible-light-driven photocatalytic selective oxidation of amines into imines

Kaiyue Zhang,Guilong Lu,Feng Chu,Xiubing Huang

Thermo-enhanced photocatalysis has been reported as a potential strategy for improving the activity, whereas the relationship between thermal energy and the localized surface plasmon resonance (LSPR) effect of noble metal nanoparticles has been rarely investigated. Herein, photocatalytic selective aerobic oxidation of amines to imines is investigated under visible light irradiation over heterostructured TiO2(B)/anatase and Au/TiO2 nanobelts at specific temperatures (20–60 °C). The surface amine substrate complexed on TiO2 could broaden the visible-light absorption region via the ligand-to-metal charge transfer (LMCT) effect. Interestingly, the pristine TiO2 achieves the best photocatalytic performance (>99% benzylamine conversion and >99% N-benzylidenebenzylamine selectivity) at 60 °C after 12 h irradiation while the Au nanoparticles (NPs) are observed to improve the activity of TiO2 only in a low temperature range (<40 °C). Moreover, excessive Au NPs loaded on TiO2 could inhibit the amine conversion and reduce the imine selectivity in the whole temperature range of 20–60 °C, which is attributed to the decreased oxygen vacancies and poor amine adsorption ability on the surface of Au/TiO2. A plausible explanation is finally proposed that the substrate–TiO2 complex, instead of plasmonic Au NPs, plays a vital role in achieving good amine conversion and imine selectivity.

研究领域: 光催化 · 材料科学 · 化学工程 · 物理化学
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FOOD HYDROCOLLOIDS · 2025 · IF 12.4

Covalent vs. non-covalent polyphenol-potato protein conjugates in emulsions: Suppressing protein-lipid co-oxidation and improving whipped cream

Songyu Wang,Kefan Ouyang,Ziqi Chen,Zhiyuan Huang,Yuanyuan Feng,Zihang Yan,Qin Zhang,Qiang Zhao

This study aimed to suppress lipid-protein co-oxidation in plant-based emulsions through covalent or non-covalent conjugation of resveratrol (RES) or luteolin (LUT) with potato protein isolate (PPI), and to develop functional whipped cream alternatives. Covalent conjugates (C-LUT/C-RES) showed higher polyphenol grafting efficiency non-covalent systems. The presence of a catechol group in LUT likely facilitated polyphenol grafting rate and enhanced radical scavenging, resulting in C-LUT emulsions exhibiting 26% lower TBARS (16.07 mg MDA/kg) and 44.18% less protein carbonyl formation after 15 days, superior to C-RES and unmodified PPI. C-RES demonstrated greater protection against protein oxidation, highlighting structure-function differences. C-LUT emulsions displayed improved rheology (higher viscosity and G′) and, when formulated into whipped cream, reduced whipping time to 27.33 s (vs. 240.33 s for Milk), increased hardness by 33.3%, chewiness by 12.6-fold, and springiness by 17.64%, while reducing leakage by 3.01%. In vitro digestion revealed 16.48% lower free fatty acid release and smaller particle size (1.28 μm, 65.6% of PPI), indicating delayed lipid hydrolysis. These findings demonstrate that C-LUT synergistically enhances oxidative stability, textural performance, and nutritional modulation, offering a promising strategy for engineering plant proteins in next-generation dairy alternatives.

研究领域: 食品科学 · 植物蛋白工程 · 氧化稳定性 · 功能食品 · 乳液物理化学 · 营养调控
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Nanoscale · 2024 · IF 5.8

External Stimuli-triggered Photodynamic and Sonodynamic Therapies in Corporation with Hybrid Nanomicelles of ICG@PEP@HA: Laser vs. Ultrasound

Xinru Kong,Yanxi Yang,Xueli Ren,Yandai Lin,Yu Shi,Zhe Liu

The concept of combining external medical stimuli with internal functional biomaterials to serve cancer-oriented treatments is emergingly developed. Optical and acoustical activations have shown special promises as non-invasive regulation modalities in cancer treatment and intervention. It is always challenging to leverage their contributions between optical and acoustical stimuli and find the appropriate biomaterials to optimally match them. Herein, a type of hybrid nanomicelles (ICG@PEP@HA) containing ICG as photo/sonosensitizers, an amphiphilic peptide for membrane penetration and hyaluronic acid for cluster determinant 44 (CD44) targeting were fabricated. Triggered by external stimuli of laser and US irradiations, their photo/sonothermal performances, in vitro reactive oxygen species (ROS) production capabilities and tumor-targeting efficiency have been systematically evaluated. It was interestingly found that the external stimulus of laser induced more quantity of ROS which resulted in a significant cell apoptosis and tumor growth inhibition in the presence of ICG@PEP@HA. The individual analysis and corresponding rationales have been investigated. In the meanwhile, these hybrid nanomicelles were administered into the MDA-MB-231 tumor-bearing nude mice for PDT and SDT therapies and their biocompatibility assessment, and a PDT prevailing efficacy and reliable bio-safety have been evidenced based on the hematological analysis and histochemical stainings. In summary, this study has validated a novel pathway to utilize these hybrid nanomicelles for laser/US-triggered localized tumor treatments, and the treatment efficiency may be leveraged by different external stimuli sources. It is also expected to give birth to full accessibility to clinical translations for human cancer treatments by means of as-reported laser/US-nanomicelles combination strategy.

CAS / MDL: 9004-61-9 3599-32-4
研究领域: 纳米技术 · 癌症治疗 · 生物医学工程 · 药学
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ACS ES&T Water · 2025 · IF 4.3

Identifying the Nonradical Mechanism in Mn Oxide-Mediated Peracetic Acid Activation Processes: Reactive Metal Species vs Electron Transfer Process

Xinyue Zhang,Zhichao Yang,Hongchao Li,Bingcai Pan

Transition-metal oxide-mediated peroxide activation systems have been demonstrated to initiate selective degradation of pollutants, while the underlying mechanism remains unclear and sometimes controversial. In this study, we systematically explored the reactive species/pathways for pollutant degradation in the Mn oxide octahedron molecular sieve (OMS-2)-triggered peracetic acid (PAA) activation system. By separating PAA activation and pollutant oxidation processes using a sequential activation/oxidation system or galvanic oxidation system, we confirm that the OMS-2/PAA system follows the reactive metal species mechanism, where surface reactive Mn(IV) species, rather than Mn–PAA complexes, are primarily responsible for the nonradical oxidation of bisphenol A. OMS-2 shows varied peroxide-activating activities (i.e., catalase-like and peroxidase-like activities) toward different peroxides (i.e., H2O2, PAA, and persulfates), depending on the reactivity of surface reactive Mn(IV) species with those peroxides. In addition, the long-lived surface reactive Mn(IV) species exhibit excellent resistance to fluctuations in solution pH and interference from coexisting anions and natural organic matter. This study offers novel insights into the nonradical mechanism involved in Mn oxide-mediated peroxide activation processes.

研究领域: 环境科学 · 化学
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Foods · 2026 ·Vol. 15 ·期 10 ·1816 · IF 6

Nutritional Supply vs. Flavor Quality: Characterizing the Physicochemical Properties and Amino Acid Profiles of Tomatoes from Beijing and Shandong

Yiming Zhao,Fengzhi Lyu,Nasi Ai,Qian Yu,Xin Ding,Yanyan Huang,Xiaomin Xu,Ge Chen,Junmei Liu,Donghui Xu,Ming Yang,Guangyang Liu

The nutritional quality and amino acid profiles of 165 tomato samples (66 regular and 99 cherry varieties) from Beijing and Shandong in Northern China were assessed. The results showed that the regional origin was associated with differences in Dry Matter (8.88% vs. 6.73%), Soluble Solids (8.04% vs. 5.80%), total titratable acidity (5.57 vs. 4.08 g/kg), and Lycopene levels (67.32 vs. 38.22 mg/kg). Shandong tomatoes generally showed higher values than those from Beijing. Vitamin C levels were comparable between the two regions (17.79 vs. 13.98 mg/100 g), suggesting no linkage between Vitamin C variation and Dry Matter differences in this dataset. These regional differences likely reflect integrated effects of cultivation systems, varietal composition, and environmental conditions. They may not be explained by geographic origin alone. Principal component analysis revealed regional clustering driven by the accumulation of sugars, organic acids, and amino acids, with glutamate and aspartate contributing strongly to flavor-related variation. These findings provide insights into regional tomato quality and may support precision cultivation and breeding strategies.

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Molecular Catalysis · 2026 · IF 4.3

Unraveling the structure-activity relationship in propane dehydrogenation: Hybridly-constructed atomically-dispersed Co2+ vs. Impregnated Co3O4 clusters on alumina

Peiran Liu,Kang Wang,Xitao Wang

For propane dehydrogenation (PDH), cobalt-based catalysts are attractive candidates to replace Pt- and Cr-based systems, yet their practical application is hindered by rapid deactivation through sintering and coke deposition. In this work, we report a hybrid synthesis strategy to fabricate a Co–Al 2 O 3 catalyst (Co-Al 2 O 3 -INC) with atomically-dispersed Co 2+ sites strongly anchored in the γ-Al 2 O 3 . In contrast to an impregnated catalyst (Co-Al 2 O 3 -IMP) that forms reducible Co 3 O 4 clusters and suffers severe deactivation, the Co-Al 2 O 3 -INC catalyst exhibits high stability with propane conversion decreasing only marginally from 27.8% to 23.5% over 5 h. Extensive characterization confirms that the atomic dispersion of tetrahedral Co 2+ sites and the resulting strong metal–support interaction effectively suppress cobalt reduction and sintering, leading to significantly reduced coke formation. This study underscores the critical role of stabilizing isolated active sites via tailored synthesis for achieving highly stable PDH catalysts.

CAS / MDL: 7727-43-7
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JOURNAL OF POWER SOURCES · 2021 · IF 9.127

Pulsed vs. galvanostatic accelerated stress test protocols: Comparing predictions for anode reversal tolerance in proton exchange membrane fuel cells

Ye Peng,Ja-Yeon Choi,Kyoung Bai,Yi Zhang,Dustin Banham

Fuel starvation events occur in proton exchange membrane fuel cells (PEMFCs) when the flow fields become blocked by ice or dust/debris from the environment. When this occurs, the electrons at the anode catalyst layer (ACL) must be generated by either water oxidation or carbon corrosion which forces the cell into a ‘reversal’ event. Such events rapidly degrade the anode catalyst layer, but can be mitigated through the use of reversal tolerant catalysts (RTCs) such as IrO x . While widely used in industry, this topic has not received significant attention in the literature. At the membrane electrode assembly (MEA)-level, there are two main approaches to evaluate reversal tolerance: 1) Galvanostatic and 2) Pulsing. In galvanostatic accelerated stress tests (ASTs), the current is held at a constant value until the cell voltage reaches a predetermined value. For pulsing ASTs, the MEA is put through short term ‘reversal’ conditions before going back to normal operating mode. These ASTs are in fact quite different in terms of the stress they put on the ACL. Here, we directly compare these two ASTs, showing that, when normalized for the same amount of total reversal time, the pulsing experiments result in more severe anode damage than galvanostatic testing.

CAS / MDL: 110802-84-1
研究领域: 能源科学 · 材料科学
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Soft Matter · 2016 ·Vol. 12 ·期 8 ·2473-2480 · IF 3.798

Understanding the thermosensitivity of POEGA-based star polymers: LCST-type transition in water vs. UCST-type transition in ethanol

Lei Hou,Qijing Chen,Zesheng An,Peiyi Wu

The lower critical solution temperature (LCST) transition in water and the upper critical solution temperature (UCST) transition in ethanol of poly(oligo(ethylene glycol) acrylate) (POEGA)-based core cross-linked star (CCS) polymers have been investigated and compared by employing turbidity, dynamic light scattering (DLS), 1H NMR and FTIR measurements. Macroscopic phase transitions in water and in ethanol were observed to occur when passing through the transition temperature, as revealed by DLS and turbidity measurements. Analysis by IR indicated that the interactions between the polymer chains and solvent molecules in water are stronger than those in ethanol such that the CCS polymer arm chains in water adopt more extended conformations. Moreover, hydrophobic interaction among the aliphatic groups plays a predominant role in the LCST-type transition in water whereas weak solvation of the polymer chains results in the UCST-type transition in ethanol. Additionally, the LCST-type transition in water was observed to be much more abrupt and complete than the UCST-type transition in ethanol, as suggested by 1H NMR and IR at the molecular level. Finally, an abnormal “forced hydration” phenomenon was observed during the LCST transition upon heating. This study provides a detailed understanding of the subtle distinctions between the thermal transitions of CCS polymers in two commonly used solvents, which may be useful to guide future materials design for a wide range of applications.

CAS / MDL: 7789-20-0 1514-82-5
研究领域: 高分子化学 · 材料科学
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BIORESOURCE TECHNOLOGY · 2021 · IF 9.642

Carbon-based conductive materials accelerated methane production in anaerobic digestion of waste fat, oil and grease

Xia He,Zhenyu Guo,Jian Lu,Ping Zhang

Little is known about the effect of carbon-based conductive material (CM) addition on the anaerobic co-digestion of fat, oil and grease (FOG) and waste activated sludge (WAS). In this study, three types of carbon-based CMs (nano-graphite (NG), granular activated carbon (GAC), and carbon cloth (CC)) and nine dosages were evaluated for their influences on co-digestion performance. The best dosage was achieved at 0.2 g/L NG, 10 g/L GAC, and 1 cm × 5 cm CC with 13–22% incremental methane production, 25–55% increased VS removal and 28–32% enhanced COD conversion efficiency compared to the control. The highest total amount of bacteria/archaea was found in CC (1 cm × 5 cm), followed by GAC at 10 g/L and NG at 0.2 g/L, which were all higher than those of the control. Microbial community analysis revealed that direct interspecies electron transfer (DIET)-mediated syntrophic acetate oxidation (SAO) enabling faster acetate conversion might be responsible for the enhancement of methane production.

研究领域: 环境工程 · 生物技术 · 微生物学
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DENTAL MATERIALS · 2025 · IF 6.3

One-step vs. two-step deposition of CaF2 nanoparticles: From the perspective of confined water release and bonding effectiveness improvement

Jiajia Xu,Yanji Lu,Kai Zhang,Qiaojie Luo,Xiaodong Li

Objective To compare the bonding efficacy of one-step versus two-step calcium fluoride (CaF₂) nanoparticle deposition and to elucidate the underlying mechanisms. The null hypotheses tested are as follows: 1) Nanoparticles deposited via the one-step strategy are less uniformly distributed than those deposited via the two-step strategy; 2) The one-step strategy does not release more confined water compared to the two-step strategy; 3) The one-step strategy is inferior to the two-step strategy in enhancing dentin bonding durability. Methods A stable amorphous calcium fluoride (ACF) precursor solution was prepared by mixing 10 mM CaCl₂ and 10 mM NaF in 20 mM HEPES buffer for 20 s, enabling one-step CaF₂ nanoparticle deposition through the mineralization-regulating function of non-collagenous proteins acting as pseudonuclei. The two-step strategy consisted of sequentially applying 0.1 M CaCl₂ and 0.2 M NaF, each for 20 s. Neutralization of matrix negative charges, reduced hydration capacity, and confined water release were assessed via cationic dye adsorption, zeta potential, water contact angle, ATR-FTIR spectroscopy, and thermogravimetric analysis. Interface characteristics were evaluated using SEM, TEM, and XPS. Bonding effectiveness was determined by adhesive infiltration depth, micro-tensile bonding strength (μTBS), and nanoleakage expression, both initially and after aging. Results Our results demonstrate that the one-step strategy produces smaller, more homogeneous nanoparticles that penetrate collagen fibrils more effectively. We thus reject the null hypothesis 1. Compared to the unmodified demineralized dentin matrix (DDM), the DDM obtained with the two-step approach exhibits reduced interfacial water, which further reduced by the one-step strategy. The null hypothesis 2 is thus rejected. Compared to the conventional wet-bonding control (AW), bonding performed on these optimized DDM leads to enhanced adhesive infiltration. Both one-step (ACF) and two-step strategies (CW) improve the immediate bonding strength (43.00 ± 4.15 MPa and 36.81 ± 3.32 vs. 31.57 ± 2.02 MPa). after 12 months of storage in water at 37 °C, bonding strength of the AW group significantly decreased to 26.92 ± 2.35 MPa (p < 0.05), whereas the CW group decreased to 30.20 ± 4.66 MPa (p < 0.05) and the ACF group maintained a high level (39.22 ± 5.12 MPa, p > 0.05). Significance This novel one-step dentin bonding strategy effectively addresses the challenge of dentin bonding durability. By simultaneously reduced electronegativity, lower hydration capacity, decreased confined water, enhanced mechanical properties, and reinforcement at the basal level, adhesive infiltration was improved, clinical procedure was simplified, and bond durability was sustained provided. The one-step dentin bonding strategy offers a clinically practical, time-efficient, and superior alternative for durable resin-dentin bonds.

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