WATER RESEARCH
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2025
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IF 12.4
Boqiang Li,Longjie Cheng,Lei Wang,Baiyang Chen
Alcohols are widely used as quenchers in UV/chlorine process currently to evaluate the roles of radicals, principally relying on the premise that they selectively react with target radicals (e.g., HO ● and Cl ● ) without affecting other reactions. However, this study revealed several unrecognized alcohol-dependent phenomena in this system that clearly challenge this principle. Specifically, tert-butanol inhibited chlorine decay ( k obs = 0.14 min –1 ), whereas methanol, ethanol, and iso-butanol accelerated it by 1.2-2.3 folds ( k obs = 0.23-0.45 min –1 ). Mechanistic analysis indicated that alcohols quenched HO ● and Cl ● while simultaneously generating secondary species that altered chlorine consumption. In the case of tert-butanol, radical quenching dominated and suppressed indirect chlorine decay, so that tert-butanol actually inhibited the conversion of chlorine. In contrast, other monohydric alcohols formed HO-R ● that reacted with O 2 to O 2 ●− , a stronger driver of chlorine loss. A quantitative structure-activity relationship model (R 2 = 0.949) identified molecular polarizability (α = 13.8-42.9) and the lowest unoccupied molecular orbital energy ( E LUMO = 2.41-2.60 eV) of alcohols as predictive descriptors of chlorine decay. For representative micropollutants, using methanol as quencher inflated the apparent roles of primary radicals (up to 83.6%) but underestimated secondary species such as ClO ● , whereas tert-butanol provided more reliable qualitative indication. To assess radicals reliably, we propose a two-step strategy that avoids misattribution: (1) using tert-butanol for qualitative indication of radical involvement; (2) applying multi-probe competition kinetics and modeling radicals adduct speciation for radical quantification. This work established quantitative bounds on alcohol-induced perturbations and offers a protocol for reliable radical quantification in advanced oxidation research.
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Journal of Environmental Chemical Engineering
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2025
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IF 7.2
Xinyue Liang,Weihong Zhang,Xiaolong Yao,Zhengyang Feng,Qingwei Bu,Wenwen Gong,Wei Wang,Chun Wang,Yingxue Sun
Adsorption-electrocatalytic oxidation is a promising technology for organochlorine removal; however, its practical application is hindered by electrode limitations in activity, stability, and mechanistic understanding. In this study, a copper-doped ZIF-8/multi-walled carbon nanotube composite electrode (Cu-ZIF-8/MWCNTs/CC) was innovatively designed. Adsorption-electrochemical batch experiments were conducted to systematically investigate the degradation behaviors of three typical organochlorine contaminants: 2,4-dichlorophenol (2,4-DCP), triclosan (TCS), and chloramphenicol (CAP), using MOF-based electrodes. The results demonstrate that compared to the undoped ZIF-8/MWCNTs/CC, the incorporation of Cu introduced additional mesoporous structures and Cu-N coordination bonds, which effectively enhanced adsorption performance based on the size-matching effect and d-band center theory. Furthermore, the highly reversible and kinetically rapid Cu 2 + /Cu + redox couple served as an efficient mediator for charge transfer, thus promoting the synergistic adsorption and electrochemical degradation of organochlorine contaminants. Notably, the material maintained considerable removal efficiency even under competitive conditions in multicomponent systems. Mechanistic investigation demonstrated that hydroxyl radicals (·OH) preferentially attacked critical chemical bonds (including C-Cl, ether, and amino groups) in accordance with density functional theory (DFT) predictions. This reaction pathway resulted in the generation of less toxic intermediates that were eventually mineralized into CO 2 and H 2 O. The ecological structure-activity relationships (ECOSAR) model further confirmed the low acute and chronic toxicity of the major degradation products. Moreover, the electrode maintained high removal efficiency across multiple consecutive cycles, demonstrating excellent stability and reusability. Collectively, this work proposes a novel strategy for the synergistic adsorption and electrocatalytic removal of organochlorine contaminants; thereby highlighting its significant potential for practical application.
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CHEMICAL ENGINEERING JOURNAL
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2025
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IF 13.2
Jiahui Liu,Hongchen Liu,Fan Yang,Junpu An,Siyuan Sun,Yang Sun,Kexin Wei,Xinyang Sun,Junwei Yuan,Meitong Zhao,Haojia Zhong,Kuobo Wang,Jintian Ren,Zhenxing Li,Yongfen Li
The electrochemical oxidation of biomass-derived 5-hydroxymethylfurfural (HMF) represents a promising pathway to synthesize the critical polymer monomer 2,5-furandicarboxylic acid (FDCA). However, the restricted adsorption of both HMF and OH − to the catalyst surface results in low activity and selectivity. To address this issue, this study introduced an electrochemically assisted strategy to synthesize Ni aerogel with Cu heteroatom doping (Ni 0.94 Cu 0.06 /NF), demonstrating excellent performance for HMF to FDCA conversion in alkaline media. The catalyst achieves 10 mA cm −2 at 1.307 V vs. RHE, with outstanding Hydrogen evolution reaction (HER) activity (10 mA cm −2 @11 mV). Notably, the conversion rate of HMF, the selectivity of FDCA and the Faraday efficiency can reach 99.5 %, 99 % and 97 %, respectively. Scanning Electron Microscope (SEM) and transmission electron microscopy (TEM) demonstrated that the aerogel's self-supported 3D framework with interwoven nanowire structure enables efficient exposure of catalytic sites. X-ray photoelectron spectroscopy (XPS) analysis further showed the modification with Cu forms unique Ni O Cu linkage within the catalyst's surface region, which effectively adjusts the electronic configuration of Ni sites and increases lattice oxygen content, thereby enhancing HMF adsorption. Density functional theory (DFT) revealed that the synergistic interplay between Ni and Cu markedly boosts the uptake capacity for both HMF and OH − , improves the rate-determining step (RDS) thermodynamics by reducing its barrier, and consequently accelerates the HMF oxidation reaction (HMFOR). Our findings elucidate fresh perspectives into the structure-performance relationship of nickel-based catalysts and offer a novel approach for designing advanced electrocatalysts for biomass upgrading.
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JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
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2025
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IF 2.8
Meiling Zhang,Siyu Zhuo,Fangmei Zhang,Jianshe Ma,Lufeng Hu,Xianqin Wang
The ultra performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS) technique was utilized to detect rubusoside in mouse plasma and evaluate its pharmacokinetic behavior following oral administration at doses of 10 mg/kg and 20 mg/kg, as well as intravenous administration at 10 mg/kg. Plasma samples were prepared using a protein precipitation method employing acetonitrile as the precipitating agent and isoscoparin as the internal standard (IS). Chromatographic separation was performed on a UPLC high strength silica (HSS) T3 column under gradient elution conditions, using acetonitrile and 0.1 % formic acid in water as the mobile phase system. The calibration curve for rubusoside demonstrated excellent linearity across a concentration range of 3.5 to 1120 ng/mL. Both intra-day and inter-day precision values remained below 7 %, with accuracy ranging from 92.3 % to 108.1 %. Matrix effects were consistently within the range of 107.1 % to 110.0 %, and the recovery rate exceeded 74.2 %. Following oral administration, the absolute bioavailability of rubusoside was determined to be 1.00 % and 0.98 % at doses of 10 mg/kg and 20 mg/kg, respectively. These findings confirm that the developed UPLC-MS/MS method effectively supports the pharmacokinetic evaluation of rubusoside
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INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
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2025
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IF 8.5
Jiawei Zhang,Kang Sun,Gaoyue Zhang,Xinchen Lu,Jian Zhao,Ruizhen Wang,Haihong Xia,Kui Wang,Kaili Zhang,Jianchun Jiang
Lignin possesses intrinsic ultraviolet (UV) shielding properties, making it one of the most promising natural materials for eco-friendly sunscreen development. However, the wide molecular weight distribution, complex structure, dark color, and poor dispersibility of industrial sulfonated lignin (LS) have hindered its commercial application in cosmetic formulations. In this study, a green and efficient antisolvent approach using ethanol was developed to simultaneously fractionate LS and fabricate lignin nanoflowers (LSNFs). The results revealed that the low-molecular-weight fraction, LSNF 3 , exhibited a high density of oxygen-containing functional groups (phenolic hydroxyl content = 2.12 mmol/g), superior antioxidant activity (RSI = 6.45), and a significantly lighter appearance—with brightness and whiteness values increased by 253.5 % and 286.2 %, respectively, compared to LS. Molecular dynamics simulations further elucidated the self-assembly mechanism of nanoflower formation. Finally, LSNFs were incorporated into cream and SPF15 sunscreen formulations. The SPF value of 10 % LSNF 3 /Sunscreen reached as high as 67.8, demonstrating a green and cost-effective pathway for the application of lignin in the field of sun protection.
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Environmental Science-Nano
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2025
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IF 5.1
Yuanzhang Hou,Yange Wang,Yuchen Tang,Yuping Qiu
Nanoplastics (NPs) critically regulate organic pollutant (OP) transport in seawater-saturated porous media through adsorption-driven carrier mechanisms. This study quantifies distinctions between carrier-mediated and non-carried transport pathways by analyzing OP mobility with increasing polarities: nonpolar phenanthrene (PHE), moderately polar triclosan (TCS), and highly polar ibuprofen (IBU), across NPs of varying sizes (300–800 nm) and OPs. In single-component systems, 300 nm NPs (NP300) exhibited a lower effluent-to-influent mass ratio (Meff = 30.83%) compared to PHE (54.25%), TCS (69.26%), and IBU (99.76%). In binary systems, NP300 reduced PHE, TCS, and IBU by 23.55%, 21.72%, and 12.12%, respectively, correlating with their equilibrium adsorption percentages (θt,eq): 85.59% (PHE), 48.96% (TCS), and 4.87% (IBU). Carrier contribution (δ) was the highest for PHE (80.75%), followed by TCS (40.02%) and IBU (4.50%), confirming hydrophobic adsorption as the dominant suppression mechanism for nonpolar OPs. In contrast, IBU's mobility remained non-carrier-dominated due to minimal adsorption and strong electrostatic repulsion. Larger NPs had weaker inhibitory effects: NP500 and NP800 reduced PHE mobility by only 16.62% and 5.54%, respectively, as θt,eq declined (60.22% and 30.14%) and NP–OP mobility converged. A predictive model integrating NP migration and adsorption achieved <3% deviation for carried mobility of nonpolar and moderately polar OPs, validating adsorption-driven suppression. These findings establish a quantitative framework to assess NPs as dynamic pollutant sinks in sandy coastal sediments, providing critical insights for managing contamination risks in marine ecosystems dominated by permeable sandy substrates.
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Journal of Energy Chemistry
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2025
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IF 14.9
Yu Mao,Mengyang Wang,Yuanyuan Huang,Yanmei Deng,Wenjian Chan,Ziyang Ren,Ening Gu,Sambasivam Sangaraju,Xianzhong Lin,Guowei Yang
The inkjet-printed Cu 2 ZnSn(S,Se) 4 (CZTSSe) has garnered extensive attention owing to its cost-effectiveness, high-throughput fabrication, and roll-to-roll compatibility. However, selenium volatility loss during high-temperature selenization induces detrimental defects in both the bulk and interface, limiting CZTSSe solar cell performance. Here, we develop a simple and controllable low-temperature selenium post-treatment (Se-LPT) strategy to compensate for the selenium loss. Systematic studies reveal that the Se-LPT can effectively passivate selenium vacancy deep-level defects in the CZTSSe absorber and suppresses carrier nonradiative recombination, thereby reducing the open-circuit voltage deficit from 336 to 298 mV. Furthermore, this treatment lowers the carrier transport barrier and facilitates efficient carrier transport by reducing the spike-like conduction band offset at the heterojunction interface. The enhanced carrier density and conductivity further contribute to the short-circuit current improvement. Consequently, the Se-LPT CZTSSe devices deliver an efficiency of 14.13%, representing the highest performance reported to date for inkjet-printed CZTSSe solar cells. This work demonstrates an effective route for developing cost-effective and high-efficiency CZTSSe photovoltaics.
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Journal of Energy Storage
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2025
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IF 9.8
Changhai Zhang,Zhiqi Zhou,Xue Zhang,Xu Tong,Chao Wang,Tiandong Zhang,Wenju Wu,Qingguo Chi
High-temperature applications demand polymer dielectrics with a high glass transition temperature ( T g ), wide bandgap, and high dielectric constant for superior energy storage performance. However, inherent trade-offs among these key parameters in existing polymers lead to soaring leakage currents and increased energy losses at elevated temperatures, severely limiting further performance enhancement. To address this issue, this paper uses polyisopren-imide (PNI) as the matrix material, attempting to decouple the T g , bandgap, and dielectric constant using fluorination modification and the creation of physical-chemical double-crosslinked networks. First, electron-withdrawing fluorine atoms were incorporated into PNI to form FPNI 50 , enhancing the polymer's bandgap and thereby inhibiting charge excitation and reducing leakage current. Subsequently, dicyclopentadiene (DCPD) was employed as a chemical crosslinking agent to construct a covalent-bonded crosslinked network (FPNI 50 D 5 ) which effectively restricted molecular chain mobility and reduced dielectric loss. Finally, 4,4-dihydroxy dicyclohexane (BCHD) was introduced to form physical crosslinking via hydrogen bonding between hydroxyl groups and fluorine atoms. BCHD, featuring high polarity and a wide bandgap (8.84 eV), enhances the dielectric constant of the polymer while simultaneously suppressing carrier transition. Consequently, the FPNI 50 D 4.5 B 0.5 achieves complete decoupling of T g (250.4 °C), bandgap (4.229 eV), and dielectric constant (4.01), while exhibiting outstanding high-temperature energy storage performance. At 150 °C and an electric field strength of 600 MV/m, it delivers an energy storage density of 6.5 J/cm 3 with an efficiency of 90 %. The performance not only surpasses that of the pure polymer PNI but also demonstrates strong competitiveness among reported polymer composites.
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JOURNAL OF ALLOYS AND COMPOUNDS
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2025
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IF 6.3
Danfeng Du,Ke Zhang,Zhisong Han,Zexin Liu,Xiurong Guo
Thermal-insulating and flame-retardant materials, as a class of functional materials with unique properties, play a pivotal role in various fields. The study utilized silica aerogel as the thermal-insulating base material and incorporated ZIF-8-encapsulated polyethylene glycol-based shape-stabilized phase change materials (ZIF-8@PEG) to fabricate silica aerogel-based ZIF-8@PEG composites (ZP-SA) via a sol-gel method. The microstructure, thermal stability, and molecular architecture of the composite phase change materials were characterized through scanning electron microscopy (SEM), X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), and differential scanning calorimetry (DSC). The experimental results demonstrated that the prepared ZP-SA exhibited a three-dimensional skeletal structure, with a phase change enthalpy of 80.98 J/g and phase transition temperatures of 53.18 °C (melting) and 26.89 °C (solidification). The material displayed excellent thermal stability during heating-cooling cyclic tests. In terms of flame retardancy, ZP-SA achieved a limiting oxygen index (LOI) value of 30.2 %. These findings confirm that the incorporation of ZIF-8@PEG effectively enhances the thermal-insulating and flame-retardant performance of the composite material. The research provides a novel theoretical framework and practical insight for the design of advanced thermal-insulating and flame-retardant composite materials, demonstrating significant academic and applied value.
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Chemical Engineering Journal Advances
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2025
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IF 7.1
Amare Aregahegn Dubale,Borsamo Boroje,Workineh Mengesha Fereja,Wei-Qi Wang
The use of herbicides in farming to manage growth, combat pests, and enhance crop production ultimately contributes to environmental pollution. However, the removal of these herbicides remains challenging due to high costs, limited adsorption efficiency, complex synthesis, and poor stability of the adsorbents. In this study, we synthesized a nickel oxalate metal-organic frameworks like coordination compound (Ni-Ox) using a straightforward hydrothermal method for the adsorptive removal of 2,4-dichlorophenoxyacetic acid (2,4-D) from wastewater samples. The adsorbent exhibited a unique morphology with a mesoporous structure, abundant functional groups, and a homogeneous elemental composition and distribution, as characterized by X-ray diffraction (XRD), Fourier transform infrared (FTIR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) and Brunauer-Emmett-Teller (BET) analysis. Ni-Ox demonstrated an exceptionally high removal efficiency of 99.7% for 2,4-D under optimal adsorption conditions: pH 2, contact time of 60 minutes, dose of 80 mg, stirring speed of 120 rpm, batch volume of 50 mL, and an initial concentration of 100 mg L⁻¹. The adsorption of 2,4-D on Ni-Ox was best described by the Langmuir model, with a maximum theoretical adsorption capacity of 384.6 mg g⁻¹ at 298 K. The kinetic data were best fitted by the pseudo-second-order model, yielding a rate constant of 2.8 × 10⁻³ g mg⁻¹ min⁻¹ and a q e value of 60.98 mg g⁻¹. Thermodynamic analysis indicated that the adsorption process was both endothermic and spontaneous, as evidenced by a positive ΔH° (+65.9 kJ mol⁻¹) and negative ΔG° values. The adsorption mechanism of 2,4-D on Ni-Ox was elucidated through post-characterization using XPS, FTIR, and XRD, and was found to be primarily driven by electrostatic attraction, hydrogen bonding, and van der Waals forces. Furthermore, Ni-Ox maintained an efficiency of over 80% even after multiple regeneration and reuse cycles. These findings provide valuable insights for the design of effective adsorbents for the herbicide removal from aquatic environment.
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Journal of Energy Chemistry
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2025
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IF 14.9
Bingqi Luo,Zeru Wang,Xiaotao Zhu,Jieyan Li,Huixian Yang,Bing Guo,Ke Wang
Composite solid-state electrolytes incorporating metal-organic frameworks (MOFs) demonstrate tremendous potential for ameliorating Li + conduction in lithium metal batteries. However, their practical application is hindered by low ionic conductivity and unstable Li + transport at the electrode interfaces. To overcome these challenges, a previously unreported family of indium‑based MOFs (In-BDC-F x , x =0, 4, 6) with tunable fluorine content was synthesized and integrated into PVDF-HFP matrices to construct high-performance quasi-solid-state electrolytes. By systematically modulating linker fluorination, a bifunctional enhancement mechanism is revealed: fluorinated indium centers simultaneously suppress polymer crystallinity and establish preferential Li + conduction pathways. Remarkably, In-BDC-F 6 manifests exceptional synergistic interactions between –CF 3 functionalities and indium coordination sites, amplifying Lewis acidity to facilitate LiTFSI dissociation and TFSI − immobilization, culminating in homogeneous LiF-enriched solid electrolyte interphases. The optimized electrolyte demonstrates compelling electrochemical performance: ionic conductivity of 9.68×10 −4 S cm −1 , Li + transference number of 0.70, and electrochemical stability window of 4.96 V. Li||Li symmetric cell demonstrated a critical current density of 3.5 mA cm −2 and stable plating/stripping for over 1000 h at 0.2 mA cm −2 , while LiFePO 4 ||Li cells retain 96.66% capacity after 1300 cycles at 10 C, underscoring the transformative potential of fluorinated MOF architectures in fast-charging solid-state batteries.
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CHINESE JOURNAL OF POLYMER SCIENCE
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2025
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IF 4
Ma Xiao-Jun,Hao Xiao-Qing,Wang Hong-Ji,Yao Han-Yu,Wang Zi-Qing,Lv Yin
The use of biomass feedstocks for the manufacture of high-performance polymers can help expand their range of applications and reduce their dependence on finite fossil resources. However, improving the heat resistance and hydrophilicity of bio-based polyesters remains a significant challenge. Herein, we introduce N,N′ - trans -1,4-cyclohexane-bis(pyrrolidone-4-methylcarboxylate) (CBPC), a novel bio-based tricyclic dibasic ester synthesized from renewable dimethyl itaconic acid and trans -1,4-cyclohexane diamine via an aza-Michael addition reaction. As a unique comonomer, CBPC features a rigid tricyclic backbone that significantly enhances chain packing and thermal stability, whereas its pyrrolidone side groups impart tunable polarity and improved hydrophilicity. Using CBPC, diphenyl carbonate, and 1,4-butylene glycol, a series of PBCC copolymers with 10 mol%–30 mol% CBPC was synthesized via ester-exchange and melt polycondensation methods. Incorporation of CBPC raised the melting temperature ( T m ) from 56.8 °C to 225.8 °C and the initial decomposition temperature ( T d5% ) from 258.0 °C to 306.7 °C, positioning PBCC among the most heat-resistant bio-based polyesters reported. Additionally, the pyrrolidone units enabled transformation from hydrophobic to hydrophilic. This study demonstrates that CBPC is an effective and innovative building block for the design of bio-based polymers with enhanced thermal and surface properties, offering a promising strategy for the development of high-performance sustainable materials.
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