Emerging Contaminants
·
2026
·
IF 8.2
Shuang Zheng,Bilin Zhao,Xiaoxue Lin,Peier Peng,Jiewei Deng,Lijuan Luo,Xinyan Li,Chunyan Hao,Tiangang Luan
As emerging contaminants, alternative plasticizers (APs) are increasingly prevalent in the environment due to their use as replacements for regulated phthalates, yet their potential health risks, particularly immunotoxicity, remain poorly understood. To address this critical gap, we systematically evaluated seven environmentally pervasive and toxicologically concerning Aps (ASE, ATBC, TOTM, DEHT, DEHA, DINCH, ESBO) alongside DEHP. We adopted a comprehensive multi-modal strategy to reveal the unique immunotoxic effects of each compound and their underlying mechanisms. Our findings demonstrate that APs differentially disrupt macrophage immune functions: ASE and DEHA enhanced adhesion/phagocytosis, whereas ATBC, TOTM, DEHT, DINCH, and ESBO significantly suppressed these capacities. Mitochondrial profiling revealed that ASE, ATBC, and TOTM increased mitochondrial mass, while DEHT, DEHA, DINCH, and ESBO reduced it. Notably, ASE, DEHT, and ESBO induced mitochondrial dysfunction, characterized by diminished membrane potential (MMP) and elevated mitochondrial reactive oxygen species (mtROS), implicating mitochondrial impairment as a key mechanism of APs-induced immunotoxicity. Analysis of 92 immune-related proteins further indicated a shift toward pro-inflammatory polarization. Metabolomics analysis further linked immunotoxicity to metabolic reprogramming, revealing associated metabolic disturbances. Collectively, this study provides a systematic dissection of APs-immunotoxic mechanisms through a mitochondria-metabolism-immune axis. Our findings offer crucial evidence for the informed safety assessment and regulatory prioritization of these ubiquitous environmental plasticizers.
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BIOORGANIC CHEMISTRY
·
2026
·
IF 5.1
Yinghao Huang,Chentao Ding,Shaowei Wang,Shufang Qi,He Zhu,Yiyan Wang,Ren-shan Ge,Yi Liu,Jing Cheng
Biocide disinfectants are essential chemicals in infection control, but their use may cause adverse effects by inhibiting neurosteroid biosynthesis. In the current study we systematically examine the inhibitory effect of the biocide benzalkonium chloride (BAC), which is widely used for surface disinfection and as preservative in many consumer products, on human and rat 5α-reductase 1 (5α-R1) activity. The effects of BAC component (C1-C18) on brain 5α-R1 were investigated using HPLC-MS/MS measurement of steroid substrate testosterone and product dihydrotestosterone for enzyme inhibition screening assay and kinetics analysis, surface plasmon resonance (SPR) binding, intact cells, in silico docking and molecular dynamic simulations as well as structure-activity relationship (SAR)/3D-QSAR modeling. BAC component inhibited both human and rat 5α-R1, depending on alkyl chain length, with C10 + components exhibiting significant activity. C18 component emerged as the most potent inhibitor (IC₅₀ = 9.54 μM for human 5α-R1; 34.36 μM for rat 5α-R1). SPR assay showed that C18 had a high affinity binding with KD of 6.42 μM with a relatively slow dissociation rate, indicating stable target engagement once bound. Mechanistic studies identified mixed/noncompetitive inhibition of 5α-R1 by BAC components by competing with NADPH (SPR assay). In intact SF126 cells, C12-C18 components suppressed 5α-dihydrotestosterone formation at 10–100 μM. Pearson correlation analysis linked inhibitory strength to structural parameters (LogP, molecular weight, alkyl carbon count, heavy atoms, and rotatable bonds). A 3D-QSAR pharmacophore model highlighted hydrophobic interactions as critical for inhibition. Molecular docking further elucidated binding mechanisms, showing that BAC components occupy the NADPH-binding site via van der Waals forces, hydrogen bonds, hydrophobic contacts, and charge interactions. Our results suggest that BAC components have the potential to inhibit human and rat 5α-R1 activity and cause the neural disorders. These findings underscore BAC as potential endocrine disruptor by targeting neurosteroid biosynthesis, warranting further investigation into their neurotoxicological implications. This work was funded by the Zhejiang Nature and Science Foundation. The funders had no role in study design, interpretation or decision to publish.
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PubMed
高影响因子
Microbiology Spectrum
·
2025
·
IF 3.8
Fan Yang,Wei Dai,Hua Xue,Wen Chen,Chen Liu,Yaru Tian,Wanli Cheng,Jibin Zhang
Root-knot nematodes (RKNs) are notoriously challenging to control because of their broad host spectrum and swift proliferation. Consequently, there is an urgent need to develop safe and effective nematicides. Microorganisms and their metabolites have the potential to control RKNs safely and effectively. Paenibacillus polymyxa KM2501-1 can produce a range of volatile organic compounds (VOCs) with nematicidal activities, among which 2-undecanol is a potential biocontrol agent against Meloidogyne incognita. Nonetheless, the mechanism by which 2-undecanol prevents RKN infection in plant roots remains unclear. 2-Undecanol has many activities against M. incognita in vitro, including contact (LC50 = 34.5 mg/L), fumigation (LC50 = 191.6 mg/L), attraction, locomotion inhibition (frequency of head thrash and body bend reduced by 84.0% and 97.0% at concentration of 40 mg/L) and egg hatching inhibition (by 98.5% at concentration of 80 mg/L). Upon treatment with 2-undecanol, a noticeable reduction in the number of galls was observed, and the control efficacy reached 60.8% at the dose of 5 mg/pot. Metabolomics analysis revealed that the application of 2-undecanol significantly influenced the composition of root exudates of tomato. Among the 17 differential metabolites, the up-regulated 10-undecenal could attract and kill M. incognita J2 larvae at a concentration of 100 mg/L, and cyclohexylamine had nematicidal activity at the concentration of 1,000 mg/L. This study revealed the mechanism of 2-undecanol inducing plant roots to secrete nematicidal substances with attractant activity, effectively controlling RKNs, which could pave the way for the development of environmentally friendly and cost-effective nematicides.
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ACS Catalysis
·
2025
·
IF 13.1
Limin Zhang,Huahua Fan,Miao Zhang,Haoqing Zhang,Hao Wang,Bangjian Liu,Jiaxing Zhang,Xiaowa Nie,Guanghui Zhang,Chunshan Song,Xinwen Guo
Cobalt-based catalysts have recently emerged as a promising frontier in propane dehydrogenation (PDH) research. Despite their potential, achieving selective suppression of nonselective metallic cobalt (Co0) species remains a critical challenge. In this work, we report a hollow zeolite architecture (Co@S-1-Hol) that effectively addresses this dilemma through spatial confinement engineering. Through depth-profiling XPS analysis complemented by H2-TPR and UV–vis spectroscopy characterization, we demonstrate a unique cobalt valence distribution where metallic Co0 species are preferentially encapsulated within hollow cavities, while Co2+ ions remain atomically dispersed in the zeolite shell matrix. DFT calculations coupled with kinetic studies reveal that the cavity-confined Co0 clusters serve as the predominant active centers for C–H bond activation. Notably, STEM-EDS mapping and TGA uncover a self-regulating mechanism: the hierarchical hollow structure facilitates rapid and selective coking on nonselective surface sites during initial reaction phases, effectively passivating undesirable side reactions while preserving intrinsic catalytic activity. This spatial engineering strategy endows the Co@S-1-Hol catalyst with superior PDH performance compared to the conventional impregnated Co/S-1 catalyst, exhibiting an enhanced C3H6 formation rate (21.6 mmol gcat–1 h–1, equivalent to 1330 mmol gCo–1 h–1) coupled with a significantly reduced deactivation rate. Under optimized conditions at 550 °C, the catalyst achieves 35% propane conversion with 95% propylene selectivity, representing state-of-the-art performance among reported cobalt-based PDH catalysts. This work not only provides fundamental insights into cobalt active site engineering but also establishes a paradigm for designing spatially modulated zeolite catalysts in alkane dehydrogenation applications.
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CARBOHYDRATE POLYMERS
·
2026
·
IF 13.2
Sandeep Karki,Sahil Malhotra,Muhammad Ijaz,Nicolas Rollet,Eoin D. O'Cearbhaill,Estela Bini,David J. Brayden
The buccal route has re-emerged as an alternative non-injectable route for peptide delivery. However, buccal peptide bioavailability is low, necessitating new formulation strategies. Pullulan, a water-soluble carbohydrate polymer, offers potential as a film-forming agent for buccal peptide delivery. Our aim was to co-administer a glucagon-like peptide-1 receptor agonist (GLP-1 RA) model analogue with an epithelial permeation enhancer, sodium glycodeoxycholate (GDC) in a bilayer film using a pullulan-based mucoadhesive layer. A pullulan–carboxymethyl cellulose mucoadhesive layer was selected, along with a backing layer made from an ammonio-methacrylate copolymer (Eudragit® RLPO). Physicochemical characterization confirmed the suitability of the pullulan-based film for buccal application. A Hilltop Chamber comprising an adhesive-backed cotton pad identified an optimal GLP-1 RA:GDC ratio for peptide permeation across ex vivo porcine buccal mucosae. 200 mM GDC (94.4 mg/mL) enabled ∼6% flux at 3 h using a donor concentration of 50 mg/mL GLP-1 RA (∼1:2). When these concentrations were incorporated into the prototype pullulan films, GLP-1 RA fluxes across mucosae reached ∼4.5% and ∼2% at 3 h for single mucoadhesive-layer and bilayer films, respectively, without overt tissue damage. Integrating GLP-1 RA and GDC into a pullulan–based bilayer film offers a promising carbohydrate polymer platform for enhancing buccal peptide delivery.
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高影响因子
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
·
2023
·Vol. 148
·期 17
·8849-8859
·
IF 4.4
Liu Long,Tian Yanan,Bai Ruibing,Li Yue,Su Ze,Yao Yuan,Zhang Yanqiang
IL-H 2 O 2 bicomponent hypergolic propellant is a new type of green and environmentally friendly hypergolic propellant, but its ignition delay time needs to be further reduced. In this paper, an iodine-containing ionic liquid of 1-methyl-4,5-diiodoimidazolium iodide ([Dmim]I) was synthesized and applied to the spontaneous combustion system of methylimidazolium borane (MIMB) and H 2 O 2 . When a small amount of [Dmim]I was added, the spontaneous combustion of MIMB was enhanced and the flame color becomes brighter as well as the ignition delay time can be reduced from 250 to 109 ms; the accelerator of [Dmim]I had less effect on the maximum specific impulse of MIMB, but the combustion mechanism of MIMB in 95% H 2 O 2 was changed may be by lowering the Gibbs free energy of the dehydrocoupling reaction between the H 2 O 2 and the MIMB. Thermal behavior of MIMB, [Dmim]I, and MIMB containing 2 mass% [Dmim]I were studied by thermogravimetric analysis. The decomposition temperature of MIMB is greatly delayed after adding 2 mass% of [dmim]I, and the maximum temperature delay is about 30 °C; the thermal decomposition of MIMB includes two thermal mass loss processes and the corresponding decomposition activation energy are increased with the addition of [Dmim]I; these indicate that MIMB is compatible with [Dmim]I without oxidizing agent, and [Dmim]I has a stabilizing effect on MIMB.
研究领域:
推进剂化学
·
材料科学
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CRYSTENGCOMM
·
2017
·Vol. 19
·期 17
·2349-2358
·
IF 3.474
Yu-Peng Zhou,Zhang-Wen Wei,Zhuo-Jia Lin,Hui-Tao Ling,Zhengang Guo,Mei Zhang,Chi-Keung Lam,Bao-Hui Ye,Hsiu-Yi Chao
With the idea of supramolecular hosts encircling monoanions, a series of urea-containing trinuclear cationic copper complexes were designed, prepared and structurally analyzed. Copper(I) acetylides [Cu3(μ-dppm)3(μ3-η1-CCC6H4-4-NHC(O)NHC6H4-4-R)2]+ (dppm = bis(diphenylphosphino)methane; R = NO2 (1), CF3 (2), Cl (3), H (4), tBu (5), and OCH3 (6)) were prepared with F−, BF4−, or NO3− present as the anion. Eight 1-D anion coordination polymers (ACPs), 1·F, 2·F, 3·BF4, 4·F, 5·F, 5·BF4, 5·NO3 and 6·0.5F·0.5BF4, were clearly determined by X-ray diffraction. Diversity in the polymeric architecture is generated by both the choice of R-group used and anion present. 2·F, 3·BF4, 4·F, and 5·F show linear 1-D structures; 5·BF4 and 5·NO3 feature single-stranded helical structures; 1·F and 6·0.5F·0.5BF4 exhibit meso-helical structures. Solid state UV-vis absorption and luminescence properties are also discussed.
研究领域:
化学
·
材料科学
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ACS Applied Polymer Materials
·
2026
·
IF 5.2
Yiwei Li,Xu Jiang,Chuntao Chen,Xiao Fu,Dongping Sun
The dense stromal barrier of pancreatic cancer (PC) severely limits chemotherapeutic efficacy. Although combination therapy is a standard clinical approach, it often exacerbates systemic toxicity. To address the dual challenges of localized drug delivery and immune activation, we developed an injectable, multifunctional hydrogel system for the synergistic codelivery of an anti-PD-1 antibody and chemotherapeutic agents (gemcitabine/albumin-bound paclitaxel). This system is based on a novel, fully natural-source composite material─methacrylated silk fibroin (SilMA) and methacrylated chitosan (CSMA). Its core innovations include: in situ gelation via a mild LAP-photoinitiation process preserves antibody bioactivity and bioactive degradation products derived from the natural polymers, which may help establish a favorable peritumoral microenvironment. In an orthotopic PC mouse model, a single peritumoral injection of this hydrogel (HLGP group) significantly enhanced tumor infiltration of CD8+ T cells, suppressed tumor growth, and outperformed all control groups, including the free-drug combination group. This study presents a unique, integrated local delivery strategy capable of simultaneously overcoming the stromal barrier, reducing systemic exposure and enhancing immunotherapy efficacy, thereby offering a promising translational pathway for the treatment of pancreatic cancer.
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RSC Advances
·
2015
·Vol. 6
·期 4
·3393-3398
·
IF 3.84
Yusheng Yuan,Xin Huang,Shaopu Liu,Jidong Yang,Ruilin Duan,Xiaoli Hu
In neutral conditions, hypochlorite-assisted oxidative conversion of 1-pyrenylboronic acid into 1-hydroxypyrene, which leads to 1-pyrenylboronic acid fluorescence quenching, was used as the signaling tool. Compared with 1-pyrenylboronic acid, the maximum excitation (λex = 347 nm) and emission (λem = 392 nm) wavelength of 1-hydroxypyrene had no obvious change. The surfactant Triton X-100, as a micellar additive, was not only used to enhance the stability of the fluorescence probe, but also to improve its sensitivity. When using Triton X-100, the signaling of 1-pyrenylboronic acid was markedly enhanced. Herein, a spectrofluorimetric method for highly selective and sensitive hypochlorite determination has been performed. It can be noted that the fluorescence intensities positively correlated with the hypochlorite concentration over the range of 0.69–6.0 μmol L−1. The detection limit was 0.21 μmol L−1, which is lower than for most of the recently published methods. The experimental conditions were optimized and the effects of coexisting substances are evaluated. The results showed excellent priority because a certain amount of ions, including SO32−, NH4+, Cu2+ and other acid radicals, would not interfere with the measurement. The accuracy and reliability of the method was further ensured by recovery studies using the standard-addition method. In addition, the quenching mechanism, which was proven to be static quenching, has been investigated systematically by the linear plots at varying temperatures based on the Stern–Volmer equation, fluorescence lifetime, and UV-visible absorbance spectra. This method was finally used to detect hypochlorite in local water samples.
研究领域:
分析化学
·
环境监测
·
荧光传感
·
水质分析
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WATER AIR AND SOIL POLLUTION
·
2026
·Vol. 237
·期 10
·572
·
IF 3.5
Zhang Jian,Wang Ningruo,Xie Xuewen,Liao Siyi,Zhong Biao,Feng Bo,Tian Chunxiang,Xu Yajun,Chen Yuhan,Xiao Jiewen
This study systematically evaluates the efficiency and mechanism of Mn–Co bimetallic oxides for peroxymonosulfate (PMS) activation to degrade bisphenol AF (BPAF). A series of spherical Mn a Co (1-a) O x catalysts were synthesized via a facile hydrothermal method. Among them, Mn 0.2 Co 0.8 O x exhibited the highest catalytic activity, outperforming other ratios. Under optimized conditions ([BPAF] = 5 mg/L, [PMS] = 0.2 mM, [Mn 0.2 Co 0.8 O x ] = 400 mg/L, pH = 7.85), the Mn 0.2 Co 0.8 O x /PMS system achieved 97.7% BPAF removal. Quenching tests and EPR spectroscopy confirmed SO 4 •⁻ and •OH as the predominant reactive oxygen species, with SO 4 •⁻ playing the dominant role. XPS and mechanism analysis indicated that the synergistic Co(III)/Co(II) and Mn(III)/Mn(II) redox cycles drive the efficient PMS activation and BPAF degradation.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2013
·
IF 2.004
Guofeng Xue,Hui Wan,Lei Wang,Guofeng Guan
Vapor–liquid equilibrium (VLE) data for binary systems of 2-methyl-1-butanol with ethylbenzene and xylene isomers are isobarically obtained with a modified Rose still at 101.33 kPa, as well as for the quinary system of 2-methyl-1-butanol + ethylbenzene + xylene isomers. The binary VLE data are considered to be thermodynamically consistent according to the Herington method and the point-to-point test. Taking the nonideality of the vapor phase into consideration, the activity coefficients are calculated. All systems show positive deviation from ideality. The VLE data are correlated using the nonrandom two-liquid (NRTL), universal quasichemical activity coefficient (UNIQUAC), and Wilson models. The calculated vapor-phase compositions and temperature agree well with the experimental values. The obtained model parameters of the binary systems are used to predict the VLE data for the quinary system. The results indicate that these three models allow a good prediction of the phase equilibrium for the quinary system.
研究领域:
化学工程
·
热力学
·
分离过程
·
相平衡
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SEPARATION AND PURIFICATION TECHNOLOGY
·
2022
·
IF 9.136
You Wu,Yuqi Li,Huan Li,Hai Guo,Qi Yang,Xiaoming Li
Cu 2 O is an attractive material for the architectural design of integrated nanomaterials in photocatalysis. Herein, a contrastive study was carried out to explore the influence of morphology/exposed Cu 2 O facets on the template growth process and the difference of fabricated composites in photocatalysis performance. A series of Cu 2 O@HKUST-1 with core–shell structure was developed via a self-confinement strategy, in which Cu 2 O nanocrystals with various shapes (cube, truncated octahedron and octahedron) act as self-confinement template to grow Cu-based metal–organic frameworks (HKUST-1) shell. It was revealed that the growth of HKUST-1 on Cu 2 O crystal depended on the original Cu 2 O crystal. The exposure of (1 1 1) facet in Cu 2 O was more favorable to the growth of HKUST-1 than (1 0 0) crystal plane. Optical and photoelectrochemical characterizations revealed that the cubic Cu 2 O@HKUST-1 exhibited the outstanding light response and most efficient interfacial charge transfer and separation among three types of composites. As a result, the degradation rates of tetracycline hydrochloride (TC-HCl) by cubic Cu 2 O@HKUST-1 under the visible light irradiation was 95.35% within 60 min, which was much higher than truncated octahedral Cu 2 O@HKUST-1 (78.81%) and octahedral Cu 2 O@HKUST-1 (66.58%). Mechanism explorations including radical capture experiments, electron paramagnetic resonance and band structure analysis showed that type II heterojunction was formed in cubic Cu 2 O@HKUST-1 and truncated octahedral Cu 2 O@HKUST-1, which was conducive to the separation and transfer of photo-generated carriers. However, type I heterojunction existed in octahedral Cu 2 O@HKUST-1 lead to the recombination of photocarriers. These findings revealed the interface-dependent photocatalytic performance in Cu 2 O@HKUST-1 and provided useful guidance for controllable construction of photocatalysts with heterojunction structure.
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