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ACS Applied Electronic Materials · 2025 · IF 4.7

MgZrO3-Doped BNT-Based Ferroelectric Thin Films Achieve Superior Energy Storage Performance through Synergistic Optimization of Polarization Intensity and P–E Hysteresis Loop Shape

Ziheng Luo,Shuai Zhang,Genshui Wang,Hengchang Nie,Shiguang Yan,Zhiyan Guo,Yuou Yuan,Liang Shi

Among typical ferroelectric materials, Bi0.5Na0.5TiO3 (BNT) has attracted significant research attention owing to its high intrinsic polarization and polymorphic phase transitions. However, the practical application of pure BNT in high-performance energy storage devices has been limited by its large remnant polarization (Pr) and broad P–E hysteresis loops. Previous studies on element-doped BNT-based materials for enhanced energy storage performance have primarily focused on improving dielectric breakdown strength (Eb) and slimming P–E loops, which typically leads to deteriorated ferroelectric properties (reduced Pmax). To overcome the above problems, this study investigates (0.94–x)Bi0.5Na0.5TiO3-0.06BaTiO3-xMgZrO3:1 mol % Mn (BNT-BT-xMZ:Mn, x = 0, 0.03, 0.06, 0.09, 0.12) thin films. MZ doping induces lattice expansion within the material, where larger domain sizes enhance polarization behavior, leading to increased Pmax (76.81 μC/cm2). Concurrently, the incorporation of MZ promotes cationic disorder, strengthening relaxor behavior. This results in nearly unchanged remnant polarization (Pr) but significantly reduced coercive field (Ec). Consequently, a large polarization difference (ΔP = 70.44 μC/cm2) and slim P–E hysteresis loops are achieved, and synergistic optimization of ferroelectric properties and relaxor characteristics enables the thin film to achieve superior energy storage performance under moderate electric fields (∼2250 kV/cm), ultimately achieving optimal comprehensive performance at x = 0.09, with a recoverable energy density (Wrec) of 55.76 J/cm3 and efficiency (η) of 79.46%. In contrast to previous unilateral approaches solely pursuing high Eb, the synergistic optimization strategy for polarization intensity and P–E hysteresis loop shape provides insights and design principles for modifying thin films as energy storage capacitors.

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Catalysis Science & Technology · 2022 ·Vol. 12 ·期 18 ·5709-5722 · IF 6.177

Fabrication of Mn/P co-doped hollow tubular carbon nitride by a one-step hydrothermal–calcination method for the photocatalytic degradation of organic pollutants

Dongbo Wang,Xiyuan Dong,Ye Lei,Changqing Lin,Dan Huang,Xin Yu,Xuan Zhang

Photocatalytic degradation of pollutants is regarded as an economical and environmentally-friendly strategy. Herein, a hollow tubular carbon nitride photocatalyst co-doped with manganese and phosphorus (Mn–PCN) was synthesized by a one-step hydrothermal–calcination method and used for the photocatalytic degradation of organic pollutants. Introducing P shaped the tubular morphology, increased the specific surface area, and enhanced the light efficiency. Adding Mn narrowed the band gap, regulated the tubular morphology, and affected the electronic structure. Co-doping P and Mn enhanced the photocatalytic performance synergistically. Compared with pure carbon nitride (CN), the photocatalytic performance of Mn–PCN was greatly improved. Rhodamine B could be removed almost completely in 150 min with 3Mn–PCN, and the degradation rate constant k was 0.01924, which was 14 times that of CN. Meanwhile, 3Mn–PCN could remove 99% of tetracycline hydrochloride, 57% of bisphenol A, and 68% of sulfamethoxazole. The Mn–PCN structure was identified and the possible mechanism was proposed according to DFT calculation and experimental results. The results provide new insights into rational design of highly active catalysts with visible light sensitive activity.

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APPLIED CATALYSIS B-ENVIRONMENTAL · 2025 · IF 21.1

Manipulating d-Band Center and d–p Orbital Coupling to Mitigate Adsorption–Desorption Trade-Off for Efficient CO2-to-CO Photoreduction over MOF Nanofibers

Yong Yang,Jianfeng Jiang,Ya-Nan Feng,Zanyong Zhuang,Fei-Fei Chen,Dantong Zhang,Yan Yu

The strong CO 2 adsorption and facile CO desorption are a trade-off issue for CO 2 -to-CO photoreduction pathways. Synchronous optimization of these two steps remains a substantial hurdle and has been less explored. Herein, an O/N mixed coordinated Co-NTA (NTA: nitrilotriacetic acid), featuring an ultralong nanofiber architecture, is reported for efficient CO 2 photoreduction. The mixed coordination can regulate the positions of d -band center of Co sites and also d – p orbital coupling with coordination atoms, which are recognized as main activity descriptors. Consequently, free energies of both steps of CO 2 →*CO 2 and *CO→CO are well optimized, making the CO 2 -to-CO photoreduction pathways more favorable thermodynamically. By contrast, the classic N-coordinated Co-MeIm (MeIm: 2-methylimidazole) and O-coordinated Co-BDC (BDC: 1,4-benzenedicarboxylic acid) suffer from unfavorable CO 2 adsorption and intractable CO desorption, respectively. In addition, achiral NTA molecules can direct the growth of Co-NTA into one-dimensional (1D) nanofibers, while Co-BDC and Co-MeIm possess typical 2D nanosheet and 3D polyhedron architectures. The fast electron transport along the axis directions makes charge-transfer kinetics most efficient over 1D Co-NTA. The thermodynamic and kinetic benefits jointly contribute to the 1.8-fold increase in CO production over 1D Co-NTA.

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MICROPOROUS AND MESOPOROUS MATERIALS · 2010 · IF 2.652

A novel MCM-41-supported bi-functional catalyst by immobilizing organoamine and Rh–P complex for one-pot synthesis of 2-ethylhexenal from propene

Wan-Zhong Lang,Xun-Wen Liu,Ya-Jun Guo,Bo Su,Lian-Feng Chu,Cui-Xiang Guo

We have demonstrated the synthesis of a novel MCM-41-supported bi-functional catalyst containing organoamine and Rh–P complex. We further characterized the catalysts by state-of-the-art analytical techniques including FTIR, UV–vis, 31 P CP MAS NMR, TGA, XRD, BET, TEM, ICP-AES and elemental analysis. The as-synthesized catalyst was applied to the one-pot synthesis of 2-ethylhexenal using propene as raw materials. FTIR, UV–vis, 31 P CP MAS NMR, and TGA results indicate that the active sites, organoamine and Rh–P complex, are successfully immobilized on the surface of catalyst support. The N and Rh content can be adjusted by adding different amounts of organoamine and Rh–P complex during the process of catalyst preparation. The mesoporous structure of the zeolite support remains intact after immobilization. However, the specific surface area and BJH pore size of the mesoporous zeolite support decrease after being grafted with organoamine and Rh–P complex. The bi-functional catalyst with primary amine has the best catalytic performances for the one-pot synthesis of 2-ethylhexenal since it has better synergistic effect with silanol groups, followed by diamine and then tertiary amine. The Rh content of the catalyst determines the hydroformylation reaction rate of propene, while the self-condensation of n -butanal is determined by the balance between organoamine and silanol groups. The results indicate the hydroformylation reaction is the control step of this tandem reaction when the content of Rh in the catalyst is below 0.19%. In contrast, this tandem reaction is controlled by the self-condensation of n -butanal with further increasing Rh content. We found that the catalyst containing 1.73% of N (primary amine) and 0.19% of Rh is a suitable choice. And we obtained the best yield of 2-ethylhexenal above 77% in the one-pot synthesis from propene.

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INDUSTRIAL CROPS AND PRODUCTS · 2026 · IF 6.4

Construction of N/P co-doped 3D network carbon skeleton in wood tracheids derived from waste biomass to boost electroreduction of CO2 to CO

Yufei Lao,Hongju Zeng,Bingshen Wu,Yuzhao Qi,Yinliang Zhang,Chuigen Guo,Liping Li,Jinmei Xu

Turning waste natural wood into high-performance carboned electrode. • Constructing N/P co-doped 3D network carbon skeleton within wood tracheids. • NPCW electrode exhibited a high specific surface and CO 2 capture capacity. • NPCW exhibits excellent CO Faradaic efficiency. • Pyrrolic N serves as the primary active site for CO 2 RR. Electrochemical CO 2 reduction reaction (CO 2 RR) has emerged as a pivotal strategy for mitigating excessive CO 2 emissions and achieving carbon neutrality. Carbonized wood (CW) possesses an intrinsic hierarchical porous structure and mechanical strength, rendering it a promising self-supporting and binder-free electrode material for electroreduction CO 2 . However, the catalytic activity of CW is limited due to its low specific surface area and insufficient active sites. Herein, we propose an innovative pore-construction strategy to prepare N/P co-doped 3D network carbon skeleton electrode (NPCW) by impregnating polyvinyl alcohol (PVA), phytic acid (PA), and urea into wood tracheids derived from waste natural wood. This strategy not only boosts electroreduction of CO 2 to CO, providing a sustainable and renewable carbon source for the chemical industry, but also solves the accumulation issue of waste wood that aligns with the green and sustainable principles. The optimized NPCW exhibits high specific surface area (972.6 m 2 g −1 ) and active site density. As a result, NPCW exhibits a remarkable CO 2 capture capacity (4.3 mmol g −1 ), an excellent CO Faradaic efficiency (FE CO ) of 96.7%, and a CO partial current density of −28.7 mA cm −2 , while retaining an FE CO above 80% after 48 h operation. This study offers a green and sustainable strategy to convert waste wood into high-performance carbon electrodes, offering a scalable paradigm for next-generation sustainable electrocatalysts. Download: Download high-res image (248KB) Download: Download full-size image This study proposes an innovative pore-construction strategy to fabricate an N/P co-doped 3D network carbon skeleton electrode (NPCW) by impregnating polyvinyl alcohol (PVA), phytic acid (PA), and urea into wood tracheids derived from waste natural wood. The optimized NPCW exhibits high specific surface area and excellent CO Faradaic efficiency.

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CHEMICAL ENGINEERING JOURNAL · 2026 · IF 12.5

Tuning the p-band center of carbon via push-pull coupling in adjacent BN pairs enables near-unity H2O2 selectivity over a wide potential window

Weitong Wang,Yongdong Tang,Xiaozhe Liu,Bei An,Huijie He,Meijing Cao,Rongzhe Zhao,Yaxuan Chen,Xiaojing Yu,Shengchun Yang,Zhimao Yang,Bin Wang

B N pairs create push-pull coupling to upshift p-band center for optimal *OOH adsorption. • B,N co-doped carbon achieves 99% H 2 O 2 selectivity over wide window in 2e − ORR. • The catalyst yields 788 mmol g cat −1  h −1 H 2 O 2 in H-cell and stable 250 mA cm −2 operation for 14 h. • B N synergy breaks π-conjugation uniformity to enable near-unity 2e − ORR. Selective electrocatalytic two-electron oxygen reduction (2e − ORR) offers a green alternative to the energy-intensive anthraquinone process for hydrogen peroxide (H 2 O 2 ) production. However, the inert π-conjugation of carbon catalysts homogenizes the electronic environment of active sites, making it intrinsically difficult to achieve the optimal *OOH adsorption energy essential for high 2e − selectivity. In this study, we developed B,N co-doped carbon catalysts through a cost-effective pyrolysis method, achieving 99% H 2 O 2 selectivity across a remarkably wide potential window (0.20–0.70 V vs. RHE), an H-cell production rate of 788 mmol g cat −1  h −1 , and sustained operation in a flow cell at 250 mA cm −2 for 14 h with a Faradaic efficiency above 80%. It was demonstrated that engineering adjacent B N pairs within a carbon matrix established a localized push-pull electronic coupling that precisely upshifts the p-band center of active carbon atoms into the theoretically predicted “golden zone” for *OOH adsorption via combined experimental and theoretical analysis. These findings highlight the critical role of heteroatom doping in tailoring electronic structures and provide a scalable strategy for efficient, environmentally friendly H 2 O 2 production using carbon-based catalysts. This work develops B,N co-doped carbon catalysts that achieve 99% H 2 O 2 selectivity and 8 mol g cat −1  h −1 yield via 2e − ORR, leveraging synergistic doping and pyrrolic nitrogen optimization for scalable production. Download: Download high-res image (113KB) Download: Download full-size image

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JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS · 2026 · IF 6.7

Synergistic effect of p-type semiconductor n-Co3O4@C-N on the flame retardancy, smoke suppression, and toxicity reduction of linear low-density polyethylene composites

Jiaqi Geng,Zhichao Tian,Ruiping Wang,Junxiu Liu,Miaojun Xu,Huiying Wen,Mingyang Zhu,Bin Li

Linear low-density polyethylene (LLDPE) is flammable and produces severe molten droplets and toxic smoke, posing a great threat to life and property safety. To address these challenges, ZIF−67-derived nano-carbon-nitrogen-coated Co 3 O 4 (n-Co 3 O 4 @C-N) was synthesized and employed as a synergist for an intumescent flame retardant (IFR) in LLDPE. When IFR/n-Co 3 O 4 @C-N was introduced, LLDPE composites achieved a UL−94 V−0 rating and the limiting oxygen index of 26.8%. Cone calorimeter test results further demonstrated that the total heat release of LLDPE/IFR/n-Co 3 O 4 @C-N−3 decreased by 23.2% compared with pure LLDPE, indicating remarkable suppression of fire intensity. Compared with LLDPE/IFR and LLDPE/commercial-Co 3 O 4 , LLDPE/IFR/n-Co 3 O 4 @C-N−3 exhibited a reduction in total smoke production by 50.3% and 37.2%. The high specific surface area of n-Co 3 O 4 @C-N facilitates sufficient contact with the polymer matrix, enhancing catalytic carbonization and forming a robust graphitized char layer. Furthermore, as a p-type semiconductor, n-Co 3 O 4 @C-N has a narrower band gap, reducing the energy required for electron transition, and its higher hole concentration helps to oxidize more CO to low-toxicity CO 2 , thereby lowering the concentration of toxic gases. This study presents a promising strategy to fabricate flame-retardant, smoke-suppressing, and low-toxic LLDPE composites, thus effectively overcoming the existing technical limitations in wire and cable application fields.

CAS / MDL: 10026-22-9 693-98-1
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Chem & Bio Engineering · 2026 · IF 8.4

Synergistically Coupled CoFe Core–Shell Nanoparticles and Fe–N x Motifs in N,S,P-Doped Hierarchical Carbon for Rechargeable Zinc–Air Batteries

Balamurali Ravichandran,Soujanya Prakash Bammanalli,Muthu Austeria P,Sabarinathan Ravichandran,Huiyuan Liu,Weiqi Zhang,Narayanamoorthy Bhuvanendran,Huaneng Su

Abstract Rechargeable zinc–air batteries (ZABs) require efficient and durable bifunctional oxygen electrocatalysts to accelerate both the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER). Herein, we report a hierarchical N, S, and P co-doped carbon catalyst (CoFe/NSP-HC) featuring CoFe core–shell alloy nanoparticles and Fe–Nx coordination motifs, synthesized through a pyrolysis strategy using heteroatom-enriched g-C3N4 as both template and dopant source. Structural characterization reveals a hierarchical porous architecture with uniformly distributed heteroatoms, strong metal–support interactions, and a well-defined Co-rich core/Fe-rich shell configuration. The synergistic integration of CoFe alloy interfaces, Fe–Nx coordination sites, and a defect-rich carbon framework effectively modulates the electronic structure and optimizes the adsorption/desorption behavior of oxygenated intermediates. Consequently, the optimized CoFe/NSP-HC catalyst exhibits bifunctional activity with an ORR half-wave potential of 0.82 V and an OER overpotential of 260 mV at 10 mA cm–2, delivering a low bifunctional potential gap (ΔE) of 0.67 V. Furthermore, the catalyst demonstrates robust electrochemical durability, maintaining stable ORR/OER performance after prolonged cycling. Density functional theory calculations reveal that Fe–Nx sites and Fe-based interfacial centers provide favorable reaction energetics for oxygen electrocatalysis, while Co species contribute to electronic modulation and kinetic enhancement. When employed as the air cathode in a rechargeable ZAB, CoFe/NSP-HC delivers a peak power density of 158.7 mW cm–2 and long-term cycling stability exceeding 350 h. This work provides an effective strategy for constructing multi-component electrocatalysts with synergistically engineered active sites for advanced metal–air energy storage systems.

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JOURNAL OF CATALYSIS · 2026 · IF 6

Advances for synthesis of bis-P,O-ligands and their stereo-electronic effect on Pd-catalyzed hydrocarboxylation of alkynes with formic acid without void decomposition

Long-Gen Hu,Guo-Sheng Zhang,Chen Chen,Pei-Ying Peng,Yong Lu,Xiao-Li Zhao,Ying-Xi Hua,Ye Liu

Hydrocarboxylation of alkynes using formic acid (FA) as carboxyl-source is highly challenging due to the competing decomposition of FA to H 2 /CO 2 and to CO/H 2 O to sacrifice the utilization efficiency of FA as well as to induce the side-reactions. Herein, a series of flexible and steric-bulky bis-P,O-ligands ( L1-L4 ) were synthesized and characterized on purpose to promote this reaction by avoiding unwanted FA-decomposition. It was found that L2 , characteristic with the most electron-rich nature, the bulkiest steric-hindrance, and the convenient P,P-chelation effect, enabled Pd(TFA) 2 highly active and selective for hydrocarboxylation of alkynes with FA under additive-free condition, affording the target α,β -unsaturated branched-carboxylic acids in the yield of 37–85 %. The in situ FT-IR analysis verified that the competing decomposition of FA like dehydrogenation to H 2 /CO 2 and dehydration to CO/H 2 O were completely inhibited, and the labile FA-based hybrid anhydride was the real product generated upon the catalysis of L2 -modifed Pd(TFA) 2 system.

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ACS ES&T Water · 2026 · IF 4.5

An Overlooked Source of Nitrosamines from Tire-Derived Amine Additives: The Contribution and Transformation Mechanism of N-Isopropyl-N′-phenyl-p-phenylenediamine (IPPD) during Chlorination

Chenglin Liu,Zhong Zhang,Siyuan Xiong,Sheng Wan,Zeyu Chen,Yao Cheng,Bintian Zhang,Xin Yang,Guomao Zheng

Identification of disinfection byproducts (DBPs) precursors remains a longstanding challenge due to the complexity of contaminated source water. Tire wear particles (TWPs) can be an overlooked source of DBPs precursors. To figure out the specific amine additives in tire rubber serving as potential nitrosamine precursors during chlorination, six frequently measured tire-derived amine additives, including N-(1,3-dimethylbutyl)-N′-phenyl-p-phenylenediamine (6PPD), N-isopropyl-N′-phenyl-p-phenylenediamine (IPPD), N-cyclohexyl-N′-phenyl-p-phenylenediamine (CPPD), N,N′-dicyclohexylurea (DCU), diphenylamine (DPhA), and N,N′-dicyclohexylamine (DCHA), were selected to simulate their degradation processes, and their DBPs formation potentials were evaluated under various water matrices. IPPD was found to have a high molar yield of N-nitrosodimethylamine (NDMA, up to 8%), while 6PPD exhibited a lower molar yield (∼0.1%) with the molar ratio of chlorine-to-ammonium nitrogen (Cl2:N = 2) and disinfectant-to-precursor (D/P = 10). Suspect and target screening approaches were further applied to identify the transformation products of IPPD, and the formation pathway of NDMA via IPPD was proposed. Furthermore, we assessed NDMA formation from IPPD in simulated TWP leachates through chlorination experiments in the presence of ammonia, which revealed that IPPD contributed up to 24% of the total NDMA formed. This study offers new insights into the previously overlooked source of nitrosamines from tire-derived amine additives.

CAS / MDL: 101-83-7 7772-98-7
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POLYMER DEGRADATION AND STABILITY · 2026 · IF 8.1

Synergistic flame retardancy and mechanical enhancement of flexible polyurethane foams by P/N/Zn complex-functionalized graphene nanohybrids: An integrated experimental and FDS simulation study

Yu Sun,Keqing Zhou,Di Li,Yongqian Shi,Bin Yu,Sheng Zhang

The flammability of flexible polyurethane foam (FPUF) and the degradation of mechanical properties caused by traditional flame retardants limit its application in scenarios with high safety requirements. To address this, a P/N/Zn complex-functionalized graphene (PPZ@fGO) nanohybrid was synthesized and incorporated into the FPUF matrix. Structural characterization confirmed its successful synthesis and uniform dispersion. Adding 5% PPZ@fGO increased the mechanical strength to 15.17 kPa, a 400.67% improvement over the control FPUF. This enhancement is attributed to synergistic physical entanglement and chemical crosslinking between PPZ@fGO and the matrix. Concurrently, the composites exhibited significant reductions in peak heat release rate (PHRR, 31.6%), total heat release (THR, 28.7%), and total smoke production (TSP, 30.3%) compared to control FPUF. The fire growth rate index (FIGRA) was lowered by 42.3%, with thermogravimetric analysis revealing a higher char residue (11.9%). This was due to the catalytic carbon formation of metal ions, expansion charring of PPZ, the barrier effect of fGO, and the dilution effect of nonflammable gases. Furthermore, a standard room fire model based on Fire Dynamics Simulator (FDS) was constructed to investigate its practical application in real-world scenarios. Simulation results revealed that the modified foam effectively suppresses rapid fire spread and severe thermal escalation. Specifically, the peak ceiling temperature dropped by 600–700 °C, and the steady-state carbon monoxide (CO) concentration was reduced by nearly 50% within 600 s, substantially prolonging the available safe egress time. This work provides a solution for developing FPUF with outstanding flame retardancy, smoke suppression properties, and mechanical strength.

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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2023 · IF 9.9

Role of oxygen vacancy in spinel (FeCoNiCrMn)3O4 high entropy oxides prepared via two different methods for the selective CH bond oxidation of p-chlorotoluene

Lei Yuan,Cai Xu,Shaoyong Zhang,Mincheng Yu,Xiaozhong Wang,Yingqi Chen,Liyan Dai

The selective C H bond oxidation of aromatic hydrocarbon is an interesting but challenging task, it is desirable to develop efficient heterogeneous non-noble metal catalyst for this reaction. Herein, two kinds of spinel (FeCoNiCrMn) 3 O 4 high entropy oxides were fabricated via two different methods (i.e., c-FeCoNiCrMn, prepared by a co-precipitation method, and m-FeCoNiCrMn, prepared by physically mixing method). Different from traditional environmentally-unfriendly Co/Mn/Br system, the prepared catalysts were employed for the selective C H bond oxidation of p-chlorotoluene to p-chlorobenzaldehyde in a green approach. Compared to m-FeCoNiCrMn, c-FeCoNiCrMn have smaller particles size and larger specific surface area, which were related to the enhanced catalytic activity. More importantly, characterization results disclosed that abundant oxygen vacancies were formed over c-FeCoNiCrMn. Such a result facilitated the adsorption of p-chlorotoluene on the catalyst surface and promoted the formation of *ClPhCH 2 O intermediate as well as the desired p-chlorobenzaldehyde, as revealed by DFT (Density functional theory) calculations. Besides, scavenger tests and EPR (Electron paramagnetic resonance) results indicated that hydroxyl radical derived from H 2 O 2 homolysis was the main active oxidative species for this reaction. This work revealed the role of oxygen vacancy in spinel high entropy oxide and also demonstrated its promising application for the selective C H bond oxidation in an environmentally-benign approach.

CAS / MDL: 104-88-1 106-43-4
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