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BIORESOURCE TECHNOLOGY · 2025 · IF 9

Zero-valent iron coupled with lactic acid bacteria enhances the degradation of p-Nitrophenol in an anoxic–oxic alternated system

Anqi Wang,Zishu Zheng,Jun Hou,Xiaozhi Wang,Jun Wu

Zero-valent iron (ZVI) has been widely used in Fenton-like reactions but is easily passivated during pollutant degradation. Lactobacillus acidophilus (a type of lactic acid bacteria (LAB)) is capable of producing lactic acid (LA) and H 2 O 2 under anoxic and oxic conditions, respectively. Thus, it inspires us to build a green recycling system that couples LAB with ZVI (LAB-ZVI) to degrade p-Nitrophenol (p-NP) in an alternated anoxic–oxic system. LAB significantly improve the reactivity of ZVI and achieves long-term stable removal of p-NP. In the anoxic environment, p-NP is reduced to p-Aminophenol (p-AP) by LAB-ZVI, and p-AP is subsequently degraded into smaller molecular structures. The complexation between LA and Fe(Ⅱ/Ⅲ) not only creates a potential difference (ψ) to facilitate the formation of reactive oxygen species (ROS) but also reduces intracellular ROS in LAB. ZVI promotes extracellular production of •OH but extracellular ROS attack does not necessarily lead to cell death. ZVI enhances the secretion of supernatant fluid, thereby improving the •OH scavenging ability of LAB. Additionally, ZVI positively affects the activity of several antioxidant enzymes through the release of Fe(Ⅱ/Ⅲ). Moreover, extracellular polymeric substances (EPS) can slow down the oxidation process by regulating antioxidant enzymes. Overall, this study provides an environmentally friendly scientific guidance for the application of ZVI.

CAS / MDL: 100-02-7 7439-89-6
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JOURNAL OF ALLOYS AND COMPOUNDS · 2025 · IF 6.3

Synergistic N,P Dual-Doping in ZIF-67-Derived Carbon Frameworks Enables Crystallinity-Optimized PtCo3 for Enhanced Oxygen Reduction Catalysis

Dengzhao Huang,Xinxing Zhan,Lei Tian,Lin Cao,Lihui Lei,Jinshan Xiong,Lingyun Zhou,Juan Tian,Xin Tong

Pt-based alloy catalysts are critical for enhancing the oxygen reduction reaction (ORR) in fuel cells due to their tunable electronic structures and high activity. However, achieving precise control over alloy crystallization and optimizing the chemical environment of catalyst supports remain significant challenges. Herein, a PtCo 3 /N,P-CoNC electrocatalyst was synthesized through pyrolysis of ZIF-67 precursors followed by Pt deposition. Synergistic N and P dual-doping adjusts the electronic configuration of the carbon matrix, promotes strong metal-support interactions (MSI), and increases accessible active sites. The catalyst delivers exceptional ORR activity with a half-wave potential (E 1/2 ) of 0.934   V and a high electrochemical surface area (ECSA) of 121.55 m 2 g Pt -1 . Accelerated durability test (ADT) reveals that PtCo 3 /N,P-CoNC exhibits only 16   mV decay in E 1/2 and 81.40% ECSA retention after 30k cycles. This enhanced stability stems from the strong nanoparticle anchoring effect induced by N, P co-doping, which effectively suppresses nanoparticle aggregation. Density functional theory (DFT) calculations reveal that N, P co-doping synergistically enhances catalytic activity and durability by inducing pronounced electron localization through non-planar P configurations to create an electron-deficient Co environment that strengthens MSI, while simultaneously optimizing the ORR pathway on PtCo 3 (111) surfaces to reduce the Gibbs free energy barrier for the rate-determining step. This work demonstrates a morphology and doping-engineered strategy to design durable, high-performance ORR catalysts, advancing cost-effective fuel cell systems.

CAS / MDL: 10026-22-9 693-98-1
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Science Bulletin · 2025 · IF 21.1

Anion-mediated electrolyte engineering unlocks high-energy-density and long-cycling sulfur-based batteries at ultra-low N/P ratio

Huangwei Zhang,Yuluo Chen,Xiaoyu Ge,Kai Huang,Jiulin Wang,Jia-Qi Huang,Zhen Li,Yunhui Huang

High energy density and long cycle life are considered to be incompatible in battery design. Lithium metal batteries often have high energy density but poor cycle stability, while graphite (Gr)-based batteries usually have long cycle life but are limited in energy density. Therefore, mixing lithium with Gr as the anode is expected to balance high energy density and long cycle life. Reducing the negative/positive areal capacity (N/P) ratio to less than 1 is the simplest means to achieve a hybrid anode. The battery with sulfurized poly(acrylonitrile) (SPAN) as the cathode and an ultra-low N/P ratio (N/P=0.6) is expected to leverage the significant advantage of its cathode’s energy density far exceeding that of traditional cathodes, while maintaining stable cycling performance. This makes it a highly promising battery system. Through the design of anion-mediated electrolyte engineering, the capacity retention rate of the SPAN||Gr pouch cell at N/P=0.6 after 300 cycles was 92%, and its energy density was increased by 24% compared with that at N/P=1.1, achieving a balance between energy density and cycling stability. This strategy establishes N/P engineering coupled with electrolyte design as a scalable paradigm for next-generation energy-dense batteries.

CAS / MDL: 7704-34-9
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JOURNAL OF MOLECULAR STRUCTURE · 2025 · IF 4.7

Decoding intermolecular forces in drug Co-Crystallization: A Temozolomide-p-Coumaric acid system with enhanced stability and tunable dissolution profiles

Fengxia Zou,Wensu Chen,Hao Xu,Yanfeng Tang,Tao Shen,Pengpeng Yang

Cocrystal engineering presents a promising strategy to optimize the physicochemical properties of active pharmaceutical ingredients (APIs). In this work, we successfully synthesized a TMZ-p-CA·H₂O cocrystal, whose formation and structural characteristics were confirmed through SCXRD, PXRD, TG-DSC, FT-IR, and NMR characterization. Computational investigations including DFT, FMO analysis, QTAIM analysis, IGMH analyses, Hirshfeld surface, and MEPS confirmed that O–H hydrogen bonds serve as the primary driving forces for cocrystal formation. Stability assessments under accelerated conditions and dynamic vapor sorption (DVS) revealed enhanced stability of the cocrystal relative to Temozolomide (TMZ). Despite exhibiting greater moisture affinity, the cocrystal maintained a total mass change below 2 % (indicating slight hygroscopicity) during DVS analysis. Notably, the cocrystal demonstrated significantly improved dissolution at pH 6.8, exhibiting 1.7-fold higher apparent solubility than TMZ alone. In summary, this work not only demonstrates a stable cocrystal overcoming TMZ's solubility and stability limitations, but also validates computational-guided rational design as a synergistic strategy for pharmaceutical crystal engineering.

CAS / MDL: 75-05-8
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CHEMICAL ENGINEERING JOURNAL · 2025 · IF 13.2

Degradation of 2- (2-hydroxy-5-methylphenyl) benzotriazole (UV-P) by ferrate(VI): key factors, reaction pathway, and toxicity assessment

Xiaochen Qi,Fuli Li,Chih-Huang Weng,Kai Liu,Renchuan Fu,Na Liu,Longzhen Ding

2-(2-Hydroxy-5-methylphenyl) benzotriazole (UV-P), a high-production and structurally complex benzotriazole derivative, has an uncertain degradation pathway and transformation dynamics in aquatic environments, raising concerns about its potential toxicological risks to human health and the ecological systems. This study investigated the oxidative degradation of UV-P by ferrate(VI) in aqueous solution under controlled experimental conditions. The results demonstrated that ferrate(VI) efficiently degraded UV-P under alkaline conditions, achieving a maximum removal efficiency of 91.76 % at pH 8.0. Furthermore, the influence of various environmental factors, including pH, oxidant dosages, inorganic ions (HCO 3 − , Cl − , Br − , NO 3 − , Ca 2+ , K + , Mg 2+ , and NH 4 + ), and humic acid, on the ferrate(VI)-mediated oxidative degradation of UV-P were systematically examined. The results indicated that although inorganic ions and humic acid partially inhibited the degradation process, a satisfactory degradation efficiency was still attained. The intermediate identification results indicated that the ferrate(VI)-mediated oxidative degradation of UV-P primarily proceeded via bond cleavage, oxygen atom transfer, and radical coupling reactions, resulting in the formation of cleavage products, hydroxylated derivatives, and polymeric compounds. The oxidative degradation pathway of UV-P and key reactive sites targeted in the ferrate(VI) degradation system were examined through quantum chemical methods, including analyses of atomic charge distribution and frontier electron density. The toxicity assessment highlighted the need to focus on the chronic toxicity of specific aminated degradation products. This study is essential for elucidating the degradation mechanism of the benzotriazole compound UV-P in aquatic environments and comprehensively assessing its potential biotoxicity.

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Journal of Water Process Engineering · 2025 · IF 6.7

Template-free synthesis of P zeolite from clay-type lithium ore with high Si/Al utilization efficiency for copper removal

Jiahui Liu,Xinchao Li,Min You,Hanjie Wen,Ziyuan Zhou,Zhiqi Liu

Eliminating harmful Cu 2+ from tainted water is still a major environmental problem. In this study, we achieved efficient removal of Cu 2+ from the solution by Na Li co-doped P zeolite (NLPZ), which was synthesized by template-free method. This method fully utilizes the Si/Al ratio in clay-type lithium ore, achieving high utilization rates of Si (94.72 %) and Al (96.62 %). Simultaneously, benefiting from the synergistic contribution of the synthesis stage and subsequent ion exchange, the overall lithium retention rate reaches as high as 82.60 %. The NLPZ exhibited exceptional Cu 2+ adsorption capacity (139.31 mg/g at 25 °C) through a dual mechanism: (1) ion exchange and (2) hydroxyl-mediated surface complexation. Adsorption followed pseudo-second-order kinetics and the Langmuir isotherm consistent with monolayer chemisorption, while thermodynamic analysis revealed endothermic behavior (ΔH = 5.9108 kJ/mol). In addition, the NLPZ maintained 94 % adsorption capacity after five regeneration cycles, demonstrating superior stability. This work provides an eco-friendly and scalable strategy for treating copper-contaminated wastewater by synergizing the efficient extraction of Si/Al from ore with the template-free synthesis of P-type zeolites.

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ACS Catalysis · 2025 · IF 13.1

Regulating d–p Hybridization in Mo-Doped CoP Nanoflowers with Superwetting Surfaces for Water Splitting at 3000 mA cm–2

Wei An,Zeyang Liu,Tongjun Shen,Yizhang Du,Cun Huang,Boyuan Duan,Chunxia Wang,Guoyong Huang,Yiming Yan,Shengming Xu

To overcome the low current-density efficiency and long-term stability issues of industrial overall water splitting at ampere-level current density, a kind of superwetting Mo-doped nanoarray anchored on nickel foam (NF) (Mo-CoP/NC) with three-dimensional (3D) nanoflower structure is constructed. The incorporation of Mo species induces thermoneutral hydrogen adsorption free energy and creates favorable empty d-orbitals, which enhances the d–p hybridization of Co–O bonds, thereby accelerating the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) kinetics in alkaline media. The optimized Mo-CoP/NC exhibits exceptional electrocatalytic performance, requiring low overpotentials of 198 mV for HER and 384 mV for OER at a current density of 1000 mA cm–2 and achieving maintains robust operation in overall water splitting at 3000 mA cm–2. When employed as a bifunctional catalyst in an alkaline electrolyzer, a cell voltage of 1.87 V can be realized at 1000 mA cm–2 , outperforming commercial benchmarks. Density functional theory (DFT) calculations reveal that Mo doping optimizes hydrogen adsorption energy and reduces energy barriers for water dissociation. The superwetting surface ensures rapid gas bubble detachment and efficient active site regeneration, while N-doped carbon encapsulation endows long-term stability with negligible activity decay over 100 h of continuous operation.

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Water · 2025 ·Vol. 17 ·期 16 ·2450 · IF 3

Sodium p-Perfluorous Nonenoxybenzene Sulfonate (OBS) Induces Developmental Toxicity Through Apoptosis in Developing Zebrafish Embryos: A Comparison with Perfluorooctane Sulfonate

Yilong Zou,Xueping Huang,Xianglian Wang,Manqing Xu,Yong Sun

Perfluorooctane sulfonate (PFOS) is a representative persistent organic pollutant that exerts toxic effects on aquatic organisms. As an alternative to PFOS, sodiump-perfluorous nonenoxybenzene sulfonate (OBS) has been frequently detected in aquatic environments and human tissues in recent years. However, its toxic effects on aquatic organisms and potential health risks to humans remain unclear. Zebrafish embryos are transparent and amenable to in vivo manipulation and observation. Therefore, in the present study, we investigated its developmental toxicity in zebrafish embryos, with PFOS as the positive control. We exposed zebrafish embryos to different concentrations of OBS (15, 20, and 25 mg/L) and PFOS (15 mg/L) for 2–168 h post fertilization (hpf) and then examined physiological and gene expression changes. At 24 hpf, spontaneous twitches in the 25 mg/L OBS group decreased to (5 ± 0.34)/min. By 48 hpf, the 20 mg/L OBS group’s hatching rate was (47.78 ± 2.22)%, significantly lower than the control. At 72 hpf, heart rates in both the PFOS and OBS groups were elevated, at 82 ± 0.6, 84.5 ± 0.5, 89.4 ± 0.3, and 93.7 ± 0.4, respectively. Similarly to PFOS, OBS induced developmental toxicity in zebrafish embryos. In addition, both OBS and PFOS exposure downregulated the expression level of anti-apoptotic Bcl-2 in zebrafish embryos, with a notable 0.53-fold decrease observed in the 25 mg/L OBS group. Conversely, they upregulated the expression levels of pro-apoptotic Bax, Caspase-3, and Caspase-9, with Caspase-3 expression increasing 1.14-, 1.5-, and 1.7-fold in the 15 mg/L PFOS, 20 mg/L OBS, and 25 mg/L OBS groups, respectively. These OBS- and PFOS-induced changes in gene expression increased apoptosis, suggesting that OBS can induce developmental toxicity in zebrafish embryos, and that its effect is comparable to that of PFOS. Therefore, considering its aquatic toxicity, measures aimed at limiting or remediating OBS pollution in the environment are necessary.

CAS / MDL: 1763-23-1
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Nature Communications · 2025 ·Vol. 16 ·期 1 ·1-18 · IF 15.7

Achieving stable and high-rate quasi-solid-state sodium batteries through strengthened P-O covalency and interface modification in Na3Zr2Si2PO12

Li Taiguang,Chen Butian,Wang Tenghui,Liu Chong,Yin Wen,Mao Qianjiang,Zhou Dongxu,Hao Yongmei,Liu Xiangfeng

Solid-state sodium metal batteries have attracted great interest because of their improved safety and abundant Na resources. However, the interfacial resistances and instabilities induced by parasitic reactions, together with Na dendrite issues, result in reduced rate capability and poor cycling stability. Here, we address these challenges by intrinsically inhibiting parasitic interfacial redox reactions through enhanced P-O covalency in Na 3 Zr 2 Si 2 PO 12 (NZSP) with Na 2 SiF 6 incorporation, wherein the high electronegativity of F strengthens P-O covalency. Additionally, SnF 2 coating provides a sodiophilic surface and stabilizes the NZSP interface, which is essential for effective electrochemical cycling. This integrated approach significantly reduces interfacial impedance to 2.0 Ω cm 2 , enabling stable Na plating/stripping for 3600 hours at 0.5 mA cm -2 /0.25 mAh cm -2 . The full cell with Na 3 V 2 (PO 4 ) 3 positive electrode demonstrates stable cycling with high-rate capability (87.5% capacity retention after 2500 cycles at 1 C and 96.1% capacity retention after 1200 cycles at 5 C). This study sheds light on the development of high-performance quasi-solid-state sodium batteries.

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Catalysts · 2025 ·Vol. 15 ·期 4 ·390 · IF 4

The Improved Cooperation of Metal–Acid Catalysis Using Encapsulation and P Doping Enhances the Preparation of 3-Acetyl-1-Propanol

Zezheng Bing,Yuanyuan Gao,Zhongyi Liu,Qiaoyun Liu

Biomass, as a renewable carbon resource, holds broad application prospects. Among various bio-based platform molecules, furan derivatives play a significant role in green chemical production. Notably, the conversion of 2-methylfuran (2-MF) to 3-acetyl-1-propanol (3-AP) over bifunctional catalysts has attracted considerable interest. In this study, a Pd@PHZSM-5 catalyst was prepared by encapsulating Pd nanoparticles within P-doped HZSM-5 for 2-MF conversion. The encapsulation improved Pd dispersion and metal–acid synergy, enhancing both catalytic activity and 3-AP selectivity. Additionally, phosphorus doping increased HZSM-5 crystallinity, resulting in excellent stability. This work provides a feasible strategy for optimizing metal–acid cooperation, offering theoretical guidance for bifunctional catalysis and biomass valorization.

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Frontiers in Chemistry · 2019 · IF 3.782

Immobilization of Fe-Doped Ni2P Particles Within Biomass Agarose-Derived Porous N,P-Carbon Nanosheets for Efficient Bifunctional Oxygen Electrocatalysis

Xiao Yifan,Deng Sihui,Li Meng,Zhou Qixing,Xu Libang,Zhang Huaifang,Sun Dongmei,Tang Yawen

A feasible and green sol-gel method is proposed to fabricate well-distributed nano-particulate Fe-Ni2P incorporated in N, P-codoped porous carbon nanosheets (Fe-Ni2P@N,P-CNSs) using biomass agarose as a carbon source, and ethylenediamine tetra (methylenephosphonic acid) (EDTMPA) as both the N and P source. The doped Fe in Ni2P is essential for a substantial increase in intrinsic catalytic activity, while the combined N,P-containing porous carbon matrix with a better degree of graphitization endows the prepared Fe-Ni2P@N,P-CNSs catalyst with a high specific surface area and improved electrical conductivity. Benefiting from the specific chemical composition and designed active site structure, the as-synthesized Fe-Ni2P@N,P-CNSs manifests a satisfying catalytic performance toward both oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) in an alkaline solution, with low overpotential, small Tafel slope and long-term durability, relative to the counterparts (Fe-free Ni12P5/Ni2P2O7@N,P-CNSs and CNSs) with single components and even comparable to Pt/C and RuO2 catalysts. The present work broadens the exploration of efficient bifunctional oxygen electrocatalysts using earth abundant biomass as carbon sources based on non-noble metals for low cost renewable energy conversion/storage.

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ACS Catalysis · 2025 · IF 13.1

Constructing f-p-d Orbital Coupling Using Cu-Doped Frustrated Lewis Acid–Base Pairs in CeO2 to Boost CO2 Electroreduction

Fang Huang,Aihao Xu,Xiangyu Chen,Huanhuan Sun,Siyu He,Dong Wei,Boran Wang,Anxiang Guan,Xucai Yin,Jing Xu,Huibing He

The direct electrocatalytic conversion of carbon dioxide to methane using water as a medium is a reliable way to store intermittent renewable energy and solve environmental problems. However, in such multielectron/proton transfer reactions, the role of water is often overlooked. Specifically, the sluggish kinetics of water dissociation limit the effective proton supply during methane formation. Here, we propose a copper-doped CeO2 catalyst with frustrated Lewis pairs (FLPs), which can effectively reduce carbon dioxide to methane. Combined experimental analysis and theoretical calculations reveal that the synergistic interaction between Cu and FLPs forms an f-p-d gradient orbital coupling system, which significantly promotes water dissociation to generate active protons and optimizes the adsorption behavior of the *H and *COOH intermediates. Even at the large current density of −273 mA cm–2, the Faraday efficiency of Cu/CeO2-FLPs for methane was as high as 78.0%, with a conversion frequency of 15784.1 h–1 in the flow cell. This work provides a strategy for the rational design of efficient multipoint catalytic systems.

CAS / MDL: 12125-02-9 64-17-5
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