CRYSTAL GROWTH & DESIGN
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2024
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IF 3.2
Juhe Liu,Yuwei Chen,Mengran Sun,Wenhao Liu,Xianghe Meng,Jiyong Yao
Na3LuB8O15, the first sodium lutetium borate in the Na–Lu–B–O system, was prepared by the spontaneous crystallization method. Na3LuB8O15 is crystallized in the centrosymmetric triclinic space group P1¯ with the following cell parameters: a = 6.4047(12)Å, b = 7.3342(13)Å, c = 13.081(2)Å, α = 88.999(7)°, β = 78.631(8)°, γ = 66.622(7)°, and Z = 2. The general configuration of Na3LuB8O15 can be characterized as a network structure created by infrequent multiboron anion chain skeletons [B8O17] and [LuO7] polyhedra shared by oxygen atoms, where Na ions are filled in the pores to balance charges. According to a UV–vis-NIR spectrum investigation, the chemical has a short ultraviolet cutoff edge (185 nm). Thermal analysis reveals incongruent melting compound properties. In addition, a first-principles calculation was conducted to delve deeper into the correlation between the performance and the structure.
研究领域:
材料科学
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无机化学
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晶体学
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光学材料
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固态化学
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COMBUSTION AND FLAME
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2026
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IF 6.2
Shubao Song,Lin Zhang,Jinghua Wu,Meishuai Zou,Jiankun Shao
A detailed experimental and modeling study was conducted to investigate the high-temperature decomposition and ignition behavior of nitromethane (CH 3 NO 2 ) and its relevance to the development of a comprehensive C–N–O kinetic model. Shock tube experiments coupled with high temporal resolution and low detection limit laser absorption diagnostics were employed to measure time-resolved species profiles of NO, CO, and CH 4 during CH 3 NO 2 pyrolysis under argon-diluted conditions (1.0 % and 1.3 % CH 3 NO 2 in Ar). In addition, ignition delay times (IDTs) of CH 3 NO 2 /O 2 /Ar mixtures were measured over a wide range of equivalence ratios ( φ = 0.5, 1.0, and 2.0) at near-atmospheric pressure. To further constrain the kinetics, the rate constant for the unimolecular decomposition reaction R1 (CH 3 NO 2 (+M)=> CH 3 + NO 2 (+M)) was experimentally determined at high temperatures, the resulting rate constant data can be represented by the Arrhenius equation k R1 (1043–1350 K, 1.5 atm) = 4.98 × 10 12 exp(-44,990 cal/mol/ RT ) s -1 . A refined kinetic model for CH 3 NO 2 combustion was developed by integrating the newly obtained rate constant data of R1 and updating the CH 3 NO 2 sub-mechanism within a previously established NH 3 –syngas model. Rate of production and sensitivity analyses were performed to identify the dominant reaction pathways governing species formation, with particular emphasis on the role of R1 and its competition with secondary reactions. This work advances the understanding of nitroalkane combustion, offering a robust and transferable kinetic framework for future simulations of energetic materials in propulsion and energy systems.
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FOOD CONTROL
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2026
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IF 6.3
Yiting Duan,Weidong Su,Xinru Deng,Chongyang Liu,Qi Li,Yuan Gao,Xiuzhu Yu
Oxidized triacylglycerols (OxTGs) formed during frying degrade oil quality and raise safety concerns. To resolve oxygen provenance under frying-like conditions, a dual hydrogen–oxygen stable-isotope tracing design (D 2 O, H 2 18 O, 18 O 2 ) was applied to triolein heated at 180 °C for 0–4 h under 3 atm: natural air (NA) + H 2 O, synthetic air (SA)– 16 O 2 + H 2 18 O, and SA– 18 O 2 + D 2 O. Diagnostic fragment ions revealed five triacylglycerols and eight OxTGs dominated by hydroperoxide (–OOH) and hydroxyl (–OH) functionalities, while isotopologue ratios (M+1–M+4)/M quantified label incorporation. Pronounced enrichment occurred only under SA– 18 O 2 + D 2 O, particularly for hydroxylated OxTGs; ratios remained comparatively stable in NA + H 2 O and SA– 16 O 2 + H 2 18 O, consistent with water acting primarily as a kinetic modulator of hydroperoxide turnover and interfacial processes rather than as a direct oxygen donor to OxTGs.The labeling pattern demonstrates that oxygen incorporated into OxTGs derives primarily from molecular oxygen (O 2 ). Mechanistically grounded process controls that limit oxygen availability—such as vacuum or otherwise deaerated frying—are therefore expected to suppress OxTG formation. For decision-ready surveillance and oil-turnover management, an integrated indicator panel is recommended, combining total polar compounds (TPC), sentinel glycerol-core aldehydes (e.g., 9-oxo/10-oxo species), and representative –OOH/–OH OxTGs. Collectively, these findings clarify OxTG formation pathways and provide a practicable basis for risk-informed quality and safety control of frying oils.
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APPLIED CATALYSIS B-ENVIRONMENTAL
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2026
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IF 21.1
Jie Yang,Yu Luo,Zhichao Chen,Junjiang Zhu
The selective catalytic reduction of NO with NH 3 (NH 3 −SCR) reaction is governed by the interplay of surface acidity and redox activity, yet the mechanism of their cooperation remains elusive. Herein, Ce–O–W linkages were constructed on Ce/ZrO 2 to couple Ce 4+ /Ce 3+ redox cycle with tungsten-derived acidity. Operando DRIFTS and transient experiments revealed that gaseous NO reacts directly with NH 3 adsorbed on Lewis Ce 4+ sites, following an Eley–Rideal pathway. Brønsted acid sites from Ce–O–W acted as NH 4 + reservoirs, dynamically replenishing Lewis-bound NH 3 and sustaining continuous reactivity. Operando UV–vis spectroscopy confirmed that NO + NH 3 exposure reduced Ce 4+ to Ce 3+ , while O 2 re-oxidized Ce 3+ to Ce 4+ , establishing the redox cycle. Density functional theory calculations supported that NH 3 dehydrogenation on Ce sites and subsequent coupling with gaseous NO were energetically favorable, while O 2 -assisted Ce 3+ re-oxidation required the highest energy barrier. These results highlight the cooperative function of Ce–O–W acid–redox site in promoting SCR activity through dynamic L–NH 3 /B–NH 4 + interplay and sustained Ce redox cycling.
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PROGRESS IN ORGANIC COATINGS
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2026
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IF 7.9
Jie Liu,Fu Xia,Nan Zheng,Changming Zhang,Zehua Xu,Wanbin Zhang,Jia He,Guoxian Zhang,Wenge Li,Qiang He
In response to the prevailing challenges of the inherent trade-off between anti-icing performance and optical transparency, as well as poor environmental durability in anti-icing coatings, this study presents a multifunctional biomimetic coating that integrates efficient passive anti-icing capability, superior durability, and high optical transmittance. A UV-curable fluorinated polysiloxane/polyurea (FPSU) resin was synthesized, serving as the polymer matrix. Al₂O₃ microspheres were incorporated onto the surface via a spray-coating approach, with simultaneous resin crosslinking and robust anchoring of microstructures achieved through in situ UV curing, thereby enabling the successful fabrication of a biomimetic anti-icing coating of FPSUA imitating the surface of rose petals. The FPSUA coating achieves a static water contact angle of 158.22° and a sliding angle of 5.45°. On glass substrates, the freezing time increases from 25 s in the uncoated state to 618 s after FPSUA coating application, while the ice adhesion strength drops sharply from 357.96 kPa to 18.94 kPa. After rigorous exposure to sand impact, sandpaper abrasion, alcoholysis, and freeze-thaw cycles, the static contact angle remains above 150°, and the sliding angle stays below 11.49°. The FPSUA coating exhibits a refractive index of 1.432 and a transmittance of 80.32% at 589 nm. The FPSUA biomimetic anti-icing coating shows significant potential for anti−/de-icing applications in critical transparent components such as aircraft windshields, UAV sensor windows, and solar panels.
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APPLIED CATALYSIS B-ENVIRONMENTAL
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2026
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IF 19.7
Bing Liu,Hong Yang,Jinbin Xu,Minxue Deng,Yongbo Xiong,Sihui Wu,Zhanwang Li,Yuncong Xu,Mingyue Wang,Wenfeng Han
Stabilizing metastable active centers under harsh reaction conditions represents a significant challenge in heterogeneous catalysis. The F-Al-O species exhibits excellent catalytic activity for the gas-phase dehydrofluorination of potent greenhouse gas hydrofluorocarbons (HFCs) to produce hydrofluoroolefins (HFOs). However, this species is prone to transform into the F-Al-F configuration via excessive fluorination, subsequently leading to catalyst deactivation because of coke deposition. To address this issue, we present a viable strategy for stabilizing the metastable active centers. Al 2 O 3 doped with boron (B), phosphorus (P), and sulfur (S) was synthesized via the sol-gel method. Results demonstrate that in the dehydrofluorination of HFC-245fa, the phosphorus-doped Al 2 O 3 catalyst (P-Al 2 O 3 ) outperforms its boron- and sulfur-doped counterparts, achieving a conversion of 87% compared to 68% and 49%, respectively. The incorporation of P significantly alters the coordination environment of Al 3 + within the Al 2 O 3 lattice, forming O-Al-O-P bonding configurations. During the subsequent dehydrofluorination reaction, these structures undergo fluorination to yield HF-resistant F-Al-O-P species. This process effectively impedes the deep fluorination of Al 2 O 3 into AlF 3 , thereby stabilizing the metastable F-Al-O active centers. Furthermore, this anti-fluorination mechanism significantly suppresses catalyst coking and prevents pore structure collapse. In the dehydrofluorination of HFC-245fa to HFO-1234ze, the P-Al 2 O 3 catalyst achieved a high conversion of 87%, representing an approximately threefold enhancement over conventional Al 2 O 3 , and no significant deactivation trend was observed after 500 h of reaction. This work provides a fundamental understanding of stabilizing metastable active centers and paves a practical pathway for designing robust catalysts for reactions under corrosive atmospheres.
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JOURNAL OF MOLECULAR STRUCTURE
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2026
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IF 4.9
Di-Ming Chen,Yi-Han Rong,Xue-Jing Zhang,Shao-Ming Fang
A novel ultramicroporous Co-MOF has been constructed using a mixed N/O-bifunctional ligand strategy. • It exhibits preferential C 2 H 6 adsorption over C 2 H 4 at 298 K, with a C 2 H 6 uptake of 3.9 mmol/g at 1 bar. • The IAST selectivity for a C 2 H 6 /C 2 H 4 (10/90) mixture reaches 2.0 at 1 bar, and the separation potential is 1.1 mmol/g. • GCMC simulations and DFT calculations reveal that multiple C–H···O and C–H···π interactions contribute to a higher binding energy for C 2 H 6 (−12.22 kcal/mol) than for C 2 H 4 . The separation of ethane (C 2 H 6 ) from ethylene (C 2 H 4 ) is a crucial but energy-intensive process in the petrochemical industry. Developing adsorbents that preferentially capture C 2 H 6 over C 2 H 4 (inverse selectivity) enables one-step production of high-purity C₂H₄. Herein, we report a novel ultramicroporous cobalt-based metal–organic framework, 1 , constructed from a mixed N/O-bifunctional ligand strategy using 4-(4-carboxyphenyl)-1,2,4-triazole (HCPT) and isonicotinic acid (HINA). Single-crystal X-ray diffraction reveals that 1 features one-dimensional rhombic channels with pore dimensions of 4.48–5.81 Å, fully coordinated Co(II) centers, and pore surfaces decorated with aromatic rings and uncoordinated O atoms. The activated framework ( 1a ) exhibits a Brunauer–Emmett–Teller surface area of 517 m²/g and shows preferential C 2 H 6 adsorption over C 2 H 4 at 298 K, with C 2 H 6 uptake of 3.9 mmol/g at 1 bar. Ideal adsorbed solution theory selectivity for a C 2 H 6 /C 2 H 4 (10/90) mixture reaches 1.81 at 298 K and 1 bar, and the separation potential is 1.1 mmol/g. Grand canonical Monte Carlo simulations and density functional theory calculations reveal that C 2 H 6 forms multiple C–H···O and C–H···π interactions with the framework, resulting in a higher binding energy (−12.22 kcal/mol) than C 2 H 4 (−10.61 kcal/mol). This work demonstrates that the mixed N/O-donor ligand strategy is effective for designing inverse-selective MOFs for energy-efficient ethylene purification. A novel ultramicroporous Co-MOF was constructed using a mixed N/O-bifunctional ligand strategy (HCPT and HINA). The activated framework features one-dimensional rhombic channels (4.48–5.81 Å), fully coordinated Co(II) centers, and pore surfaces decorated with aromatic rings and uncoordinated O atoms. It exhibits preferential C₂H₆ adsorption over C₂H₄ at 298 K, with a C₂H₆ uptake of 3.9 mmol/g at 1 bar. The IAST selectivity for a C 2 H 6 /C 2 H 4 (10/90) mixture reaches 2.0 at 1 bar, and the separation potential is 1.1 mmol/g. Grand canonical Monte Carlo simulations and density functional theory calculations reveal that C 2 H 6 forms multiple C–H···O and C–H···π interactions with the framework, resulting in a higher binding energy (−12.22 kcal/mol) than C 2 H 4 (−10.61 kcal/mol). This work demonstrates that the mixed N/O-donor ligand strategy is effective for designing inverse-selective MOFs for one-step ethylene purification. Download: Download high-res image (319KB) Download: Download full-size image
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Advanced Science
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2026
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IF 14.1
Duoli Xie,Jie Huang,Chunhao Cao,Zhenchao Tang,Xingchen Li,Jianmin Guo,Xinxin Chen,Fang Wang,Dongyi He,Jie Li,Yu Du,Bing He,Jianhua Yao,Aiping Lu,Chao Liang
Rheumatoid arthritis (RA) progression is driven by the pathogenic transformation of stromal fibroblast‐like synoviocytes (FLSs). Using artificial intelligence‐guided analysis of a synovial single‐cell transcriptomic dataset, we identify O‐GlcNAc transferase (OGT) as a key regulator enriched in RA‐FLSs. Gain‐ and loss‐of‐function studies demonstrate that OGT is necessary to drive aggressive FLS phenotypes and exacerbate experimental arthritis. Mechanistically, OGT‐mediated O‐GlcNAcylation stabilizes SAP130, promoting histone deacetylation at the BTG2 promoter. This facilitates the deposition of repressive histone methylation marks, leading to BTG2 epigenetic silencing and ultimately fueling FLS aggression. To translate this mechanistic insight, we develop an FLS‐targeted proteolysis‐targeting chimera (PROTAC) by conjugating the OGT inhibitor OSMI‐1 to the AS1411 aptamer, which selectively binds surface nucleolin (NCL) overexpressed on pathogenic FLSs and, upon internalization, employs NCL as a molecular bridge to recruit the E3 ligase MDM2 for cell‐selective OGT degradation. This PROTAC suppresses FLS pathogenicity, attenuates arthritis in mice, and demonstrates additive therapeutic benefit when combined with the TNF‐α inhibitor etanercept. Collectively, our work establishes a translational paradigm that progresses from AI‐driven target discovery and mechanistic elucidation to the rational design of a cell‐type‐specific degradation therapy, offering a strategy to overcome the stromal‐driven therapeutic barrier in RA. AI‑guided single‑cell transcriptomics identifies OGT as a key regulator enriched in rheumatoid arthritis fibroblast‑like synoviocytes (RA‐FLSs). Inflammatory stimuli activate the OGT–SAP130 axis, which modulates the H3K27ac/H3K27me3 balance and epigenetically silences BTG2, promoting aggressive transformation of RA‑FLSs. A targeted PROTAC is developed to selectively degrade OGT in pathogenic FLSs, suppressing their aggressive phenotypes for RA therapy.
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PubMed
高影响因子
MICROCHEMICAL JOURNAL
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2021
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IF 4.821
Zhihao Wu,Ruchun Chen,Shuang Pan,Hui Liu,Xiaoli Hu
Herein, a convenient method is developed for ratiometric fluorescence detection of ATP (adenosine triphosphate) based on CDs-OPD (carbon dots- o-phenylenediamine). In the absence of ATP, oxOPD, the colored oxidation product of OPD fabricated by a redox reaction occurred between OPD and Cu 2+ , not only quenches the fluorescence of CDs, but also emits a yellow fluorescence which acts as another signal element. However, ATP will compete with OPD to chelate Cu 2+ inhibiting the redox reaction, which hampers the formation of oxOPD resulting in the diminution of IFE (inner filter effect) between CDs and oxOPD, then the fluorescence of CDs restores. ATP-induced dual-signal response of the CDs-OPD/Cu 2+ system makes ratiometric assay possible. The method exhibits high sensitivity toward ATP with a detection limit of 0.43 μmol L −1 . Furthermore, the semi-quantitative measurement of ATP is available by naked eyes through the color of fluorescence and solution. Finally, the developed method is employed for the quantification of ATP in practical samples with satisfactory results.
研究领域:
分析化学
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生物传感
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纳米材料
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分子生物学
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临床检验
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DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
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2026
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IF 12.5
Xin Wen,Guiqiang Fei,Xue Jiang,Kuan Wang,Mei-Jie Shi,Zhen-Hong He,Weitao Wang,Huan Wang,Xiaojuan Lai,Zhao-Tie Liu
A heterostructured Ag/Cu 2 O-ZrO₂ catalyst was synthesized via an interface engineering strategy. • The Ag/Cu 2 O-ZrO₂ possesses a substantial number of Cu-O-Zr heterointerfaces with dispersed Ag sites • The optimized Ag/Cu 2 O-ZrO₂ catalyst demonstrates exceptional CO₂-to-C 2 fuels conversion performance. • Possible mechanism for boosting electroreduction of CO 2 reduction was proposed. • The present work sheds light on the customization of interfacial engineering with dispersed active sites. The efficient electrocatalytic reduction of carbon dioxide (CO 2 ) into multi‑carbon (C 2+ ) products is critical for sustainable carbon management, yet remains limited by poor selectivity and sluggish C C coupling kinetics. Herein, a heterostructured Ag/Cu 2 O-ZrO 2 catalyst was synthesized via an interface engineering strategy to promote C 2 production during CO 2 electroreduction. The incorporation of highly dispersed Ag nanoparticles and ZrO 2 domains onto Cu 2 O nanocrystals generates abundant Cu-O-Zr heterointerfaces, which synergistically regulate the local electronic environment and intermediate conversion behavior. In this catalytic system, the dispersed Ag sites act as efficient *CO-generating centers to enrich local CO coverage, while the Cu-O-Zr interfacial domains stabilize oxygen-containing C C coupling intermediates and facilitate their subsequent hydrogenation toward C 2 products. Benefiting from the tandem synergy between CO enrichment and interfacial intermediate stabilization, Ag/Cu 2 O-ZrO 2 catalyst achieves a high C 2 Faradaic efficiency of 78.2% and a C 2 partial current density of 17.1 mA·cm −2 at −1.3 V vs. RHE, outperforming Cu 2 O and Cu 2 O-ZrO 2 counterparts. In situ infrared spectroscopy reveals the efficient evolution of key intermediates from *COOH to *CO and subsequently to *OCCO during electrocatalysis. Meanwhile, DFT calculations demonstrate that Ag promotes *CO accumulation and suppresses its premature desorption, whereas the Cu-O-Zr interface stabilizes *OCCO and *CHCHO intermediates and lowers the corresponding energy barriers for C 2 formation. This work provides mechanistic insights into tandem interface engineering for selective CO 2 electroreduction toward multi‑carbon fuels through the spatially cooperative regulation of CO generation and C C coupling pathways. Download: Download high-res image (321KB) Download: Download full-size image
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Energy Storage Materials
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2023
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IF 20.4
Chengyao Zhao,Yiming Lin,Qiaoyan Lin,Qi Liu,Yujing Liu,Zhongqiu Liu,Anguo Ying
Aqueous zinc-ion hybrid capacitors (ZIHCs) are a promising new type of energy storage device, but there is a plight that the unsatisfactory Zn 2+ storage capability of carbonaceous cathodes limits further application. To address this issue, desolvation strategy is employed to tailor the solvation sheath of Zn 2+ in the ultra-micropores (0.59 nm) nanospheres , where H 3 PO 4 acts as phosphorus source for forming C-P bonds and enhancing C=O bonds to further reduce the desolvation energy barrier. In practical application, a quasi-solid-state flexible ZIHC is constructed, which provides a battery-level energy density (293.4 Wh kg −1 ) at a power density (180 W kg − 1 ) and a remarkable capacity retention of 93.4 % after 10 000 cycles. Electrochemical analyses, DFT calculations and structural characterization reveal that ultra-microporous is proved to be a prerequisite for C-P/C=O that are expected to further deplete solvent molecules within a Zn 2+ solvation sheath. Also, the coupling effect between the strong adsorption of Zn 2+ by C-P/C=O and the hydrophobic effect of C-P play an important role in facilitating desolvation process. This work creates a precedent for the application of ultra-microporous carbon materials in ZHICs and provides a brand-new approach for breaking the bottleneck of the low energy density and poor lifespan of ZHICs.
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PLANT PHYSIOLOGY
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2023
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IF 7.4
Liao Zhenkun,Liu Xiaojuan,Zheng Juan,Zhao Chenning,Wang Dengliang,Xu Yang,Sun Chongde
Polymethoxylated flavones (PMFs) have received extensive attention due to their abundant bioactivities. Citrus peels specifically accumulate abundant PMFs, and methylation modification is a key step in PMF biosynthesis; however, the function of reported O-methyltransferase (OMT) in citrus is insufficient to elucidate the complete methylation process of PMFs. In this study, we analyzed the accumulation pattern of PMFs in the flavedo of the sweet orange (Citrus sinensis) cultivar “Bingtangcheng” at different developmental stages. We found that accumulation of PMFs was completed at the early stage of fruit development (60-d after flowering). Furthermore, we characterized a true caffeoyl-CoA O-methyltransferase (named CsCCoAOMT1) from C. sinensis. Functional analysis in vitro showed that CsCCoAOMT1 preferred flavonoids to caffeoyl-CoA and esculetin. This enzyme efficiently methylated the 6-, 7- 8-, and 3′-OH of a wide array of flavonoids with vicinal hydroxyl groups with a strong preference for quercetin (flavonol) and flavones. The transient overexpression and virus-induced gene silencing experiments verified that CsCCoAOMT1 could promote the accumulation of PMFs in citrus. These results reveal the function of true CCoAOMTs and indicate that CsCCoAOMT1 is a highly efficient multifunctional O-methyltransferase involved in the biosynthesis of PMFs in citrus.
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PubMed
高影响因子
危险品化学品经营许可证（带存储）