INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
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2019
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IF 3.375
Wenfeng Han,Bing Liu,Yikun Kang,Zhikun Wang,Wei Yu,Hong Yang,Yongnan Liu,Jiaqin Lu,Haodong Tang,Ying Li,Weiyu Song
Vinylidene fluoride (VDF) is one of the major fluorinated monomers. Currently, it is produced via the pyrolysis of 1-chloro-1,1-difluoroethane at above 650 °C without any catalyst. Herein, we propose that metal fluorides are promising catalysts that selectively promote the pyrolysis at 300–450 °C. With various metal fluorides as the catalysts, the conversion rate increases with the amount of acidic sites, which is also reinforced by the Bader charges q. The affinity to Cl of the metal fluorides is responsible for the selectivity. However, the high affinity to Cl also leads to the chlorination of metal fluorides forming metal chlorides followed by the deactivation of the catalyst. Different from other metal fluorides, F defects play a major role in the performance of AlF3. With an increase in F defects, the selectivity changes from vinylidene chlorofluoride (dehydrofluorination) to VDF (dehydrochlorination), which further confirms the role of affinity to Cl in the selectivity.
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JOURNAL OF PHYSICAL CHEMISTRY A
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2018
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IF 2.836
Yanliang Zhao,Meishan Wang,Panwang Zhou,Songqiu Yang,Yan Liu,Chuanlu Yang,Yunfan Yang
Nitrogen-containing anthraquinone derivatives are widely applied in vegetable fiber dyes. In this paper, the fluorescence quenching mechanism by an acylamino group twist in the excited state for the 1-(acylamino)anthraquinones (AYAAQs) derivatives in acetonitrile is investigated by density functional theory (DFT) and time-dependent density functional theory (TD-DFT) methods. The calculated Stokes shift is in good agreement with the experimental data. The energy profiles show that each AYAAQs derivative reveals a barrierless twist process, indicating that the involvement of acylamino group rotation in addition to proton transfer becomes as another important coordinate in the excited state relaxation pathway. The effects of electron-substituted group promote twist process compared with 1-aminoanthraquinone (AAQ). Then, the cross points are searched by the constructed linearly interpolated internal coordinate (LIIC) pathways for AYAAQs, demonstrating that the potential energy curves of the S1 and T2 states intersect each other and are in accord with the El-Sayed rules. So one can conclude that the acylamino group twist and following intersystem crossing (ISC) processes are important nonradiative inactivation channel for the S1 state of the AYAAQs derivatives, which is more prone to proton transfer process and can explain the low fluorescence efficiency. In addition, we have measured the phosphorescence spectra of AAQ, and on this basis, it can be predicted that the phosphorescence may occur for the AYAAQs derivatives.
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JOURNAL OF PHYSICAL CHEMISTRY B
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2011
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IF 3.603
Jianji Wang,Lamei Zhang,Huiyong Wang,Changzeng Wu
Material preparation in ionic liquids and environmental pollution control by ionic liquids are often closely dependent on the aggregation behavior of ionic liquids in solution. In the present work, conductivity, fluorescence probe, and dynamic light scattering techniques have been used to study the effect of organic solvents on the aggregation behavior of 1-dodecyl-3-methylimidazolium bromide in water. It was shown that the critical aggregation concentration (CAC), the ionization degree of the aggregates (α), and the standard Gibbs energy of aggregation (ΔGm°) of the ionic liquid increase, while its aggregation number (Nagg) and aggregates’ size decrease with increasing concentration of organic additives in water. These results have been discussed from the favorable interactions of alkyl chain of the ionic liquid with the mixed solvents. It is suggested that the solvophobic parameter, characterized quantitatively by Gibbs energy of transfer of hydrocarbon from gas into a given solvent, can be used to account for the effect of organic additives on the formation and growth of the ionic liquid aggregates in water. Aggregation behavior of ionic liquids in aqueous organic solutions can be modulated simply by the solvophobic parameters of hydrocarbon in the mixed solvents.
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ENVIRONMENTAL MICROBIOLOGY
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2026
·Vol. 28
·期 10
·e70453
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IF 4
Jiao Chen,Yingyu Ji,Chaomin Sun,Shimei Wu
The reliance on conventional antibiotics and fungicides in food and agricultural systems drives drug-resistant pathogen spread and environmental contamination. Lipopeptides represent an eco-friendly alternative, but their efficacy is often limited by the presence of homologues with varying activities. Previously, we identified a novel lipopeptide, iturin W, whose C 14 variant exhibits superior efficacy against foodborne pathogens, whereas the C 15 homologue shows greater potency against plant pathogens. Notably, sorbitol supplementation shifts the homologue ratio from C 15 towards C 14 in iturin W. Here, we integrated transcriptomics, gene knockout and fermentation analyses to uncover the underlying mechanism. Our findings demonstrate that sorbitol induces metabolic reprogramming by enhancing glycolysis and oxidative phosphorylation while suppressing arginine and histidine biosynthesis. Key factors influencing this metabolic flux include SplA, DeoR/GlpR, RpoN and ResE. Importantly, knockout of splA significantly boosts the yield of C 14 iturin W. Furthermore, high aeration combined with histidine/arginine shifts production towards the C 15 variant, while low aeration with sorbitol enriches the C 14 form. Collectively, this work provides a mechanistic basis for rationally engineering microbial strains to optimize lipopeptide profiles, enabling precise biocontrol of bacterial versus fungal pathogens, thereby reducing reliance on synthetic chemicals and mitigating antimicrobial resistance in food and agricultural systems. Graphical Sorbitol supplementation shifts the lipopeptide homologue ratio from C 15 towards C 14 iturin W, and the underlying mechanism was uncovered by integrated transcriptomics, gene knockout and fermentation analyses. The findings provide a mechanistic basis for rationally engineering microbial strains to optimize lipopeptide profiles, enabling precise biocontrol of bacterial versus fungal pathogens.
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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
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2023
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IF 6.1
Tong Zhou,Xue Xia,Heping Cui,Khizar Hayat,Xiaoming Zhang,Chi-Tang Ho
The contribution of glutathione (GSH) and free amino acids degraded from GSH to the generation of pyrazines and 2,3-butanedione was illustrated during their interaction in the thermal treatment of the Amadori compound of alanine and xylose (ARP). GSH-degraded amino acids, glutamic acid (Glu), cysteine (Cys), and glycine (Gly), but not pyroglutamic acid (pGlu), could effectively capture α-dicarbonyls to facilitate the formation of pyrazines when ARP was heated with GSH. Deoxypentosones, the precursors of 2,3-butanedione, were largely consumed in the ARP–GSH model by the interaction with GSH and its degradative Cys compared with the ARP model. The addition of GSH and deoxypentosones inhibited the further degradation of deoxypentosones, resulting in less formation of 2,3-butanedione and other α-dicarbonyl compounds. Meanwhile, the reaction between GSH-degraded Cys and deoxypentosones to form sulfur-containing compounds such as thiols accelerated the consumption of deoxypentosones; thereby, the formation of 2,3-butanedione was severely interfered. However, this inhibition was compensated for by the GSH-degraded Gly through the addition between Gly and MGO and the subsequent deamination. The involvement of exogenous GSH could simultaneously boost the yields of 2,3-butanedione and pyrazines compared with those of ARP heated alone. As the degree of GSH degradation strengthened in the ARP-thermal-degraded GSH models, the yields of both pyrazines and 2,3-butanedione steadily increased.
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ACS Applied Materials & Interfaces
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2025
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IF 8.2
Jiayi Xin,Jiawen Hu,Ziyang Song,Changwen Zhao,Dong Chen,Wantai Yang
The persistent accumulation of polymers in terrestrial ecosystems poses significant environmental challenges. Herein, the biodegradation of poly(1-hexene-maleic anhydride) (HMA) in soil and Pseudomonas aeruginosa was investigated to mitigate its environmental impact. The experimental results revealed that the mineralization rate of HMA reached 17.6% after 90 days of incubation in soil. Bacterial degradation led to a 79.0% weight loss after cultivation with Pseudomonas aeruginosa for 30 days. In addition, HMA exposure induced distinct shifts in soil microbial communities, with Proteobacteria abundance increasing from 40.3 to 48.9% after the initial 5 days but subsequently declining to 34.6% due to the inhibitory effects of biodegradation intermediates. Furthermore, phytotoxicity assays demonstrated that soybean seedlings exhibited pronounced root elongation, reduced lateral root formation, and elevated oxidative stress biomarkers after HMA exposure. Earthworm (Eisenia fetida) tests revealed that the biotoxicity of HMA depended on both concentration and exposure time. The median lethal concentration after 24 h was 3.63 mg/cm2, and the mortality rate reached 46.7% after 14 days in soil. Progressive degradation of HMA mitigated both oxidative stress and biotoxic effects over time, indicating a self-attenuating ecological risk profile. These findings provide a comprehensive understanding of the environmental behavior, biodegradation mechanisms, and biotoxic effects of HMA, offering valuable insights for the design and assessment of sustainable petroleum-based polymers.
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CORROSION SCIENCE
·
2025
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IF 8.5
Zhihao Hong,Rong Liu,Yongjin Feng,Sifan Zong,Fantao Meng,Baoping Gong,Juemin Yan,Long Wang,Jijun Yang
The corrosion kinetics and deuterium permeation behavior of reduced activation ferritic/martensitic (RAFM) CLF-1 steel exposed to Li 2 ZrO 3 under high-temperature breeding blanket conditions were systematically investigated. The study revealed the corrosion kinetics of a bilayer corrosion structure that evolves with corrosion cycles, comprising a porous Fe-rich outer layer and a dense Cr-rich inner layer·H 2 O play a significant role in interfacial corrosion reactions, accelerating the degradation of the Fe-rich oxide through pore formation and delamination, resulting in enhanced deuterium permeation. Thermodynamic modeling confirmed that the interfacial reaction mechanism involves sequential structural transformations involving LiFeO 2 , Li 2 Fe 3 O 4 , Fe and LiCrO 2 phase. TEM reveals the dynamic microstructural evolution underlying the deterioration of the bilayer. A time-dependent corrosion model is proposed to elucidate the correlation between structural evolution and permeation resistance. With extended exposure, the Cr-rich LiCrO 2 phase dominates, acting as a passivating barrier that significantly impedes hydrogen isotope transport. Arrhenius analysis further substantiates the effectiveness of this evolving oxide structure in suppressing tritium permeation, highlighting the critical influence of H 2 O in corrosion-driven transport mechanisms.
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Scientific Reports
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2025
·Vol. 15
·期 1
·1-10
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IF 3.9
Mo Fei,Hong Min,Chen Xiao,Wang Qiye,Dong Chao
The accumulation of regulatory T cells (Tregs) in the tumor microenvironment is a key factor for immunosuppression and immune escape of cancer cells. Genistein is a natural isoflavonoid in soybeans, possessing a wide range of pharmacological bioactivities. However, the immunomodulatory potential of genistein remains largely unexplored. This study investigated the synergistic efficacy of genistein with anti-PD-1 therapy in a mouse model of melanoma. The regulatory role of genistein in Treg differentiation and functional stability was also examined in this study. The antitumor effects of genistein, alone or in combination with anti-PD-1 therapy, were evaluated in the mouse B16-F10 melanoma model. The profiles of intratumoral Tregs and CD8 + cytotoxic T cells were profiled using flow cytometry. The impact of genistein on the suppressive function and differentiation of Tregs was also studied in vitro. RT-qPCR, Western blotting and flow cytometry were conducted to characterize the functional phenotype of Tregs under genistein treatment. Genistein showed a synergistic effect with anti-PD-1 therapy in B16-F10 melanoma models, achieving enhanced immune infiltration and functional reprogramming of the tumor microenvironment. This combinatorial strategy not only reduced intratumoral Tregs but also elevated the CD8 + /Treg ratio. At the mechanistic level, genistein effectively suppressed critical Treg surface markers, which are indispensable for Treg-mediated immunosuppression. Furthermore, it disrupted Treg differentiation by attenuating PI3K/AKT signaling phosphorylation. Our data demonstrated that genistein boosts the antitumor effect of anti-PD-1 therapy by impairing the immunosuppressive function and differentiation of Tregs, indicating that genistein has the potential to enhance the treatment outcome of the immune checkpoint inhibitor.
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Journal of Materials Chemistry A
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2025
·Vol. 13
·期 47
·40842-40849
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IF 9.5
Yumeng Hu,Yulin Yao,Zhenheng Diao,De Sun,Yuanyuan Dong
The catalytic performance of TS-1 zeolites in selective oxidation reactions is strongly influenced by both the TiO6 concentration and specific surface area. However, simultaneously optimizing these two critical factors remains a significant challenge. Herein, a biuret-assisted hydrothermal synthesis strategy was developed to fabricate hierarchical TS-1 zeolites with high TiO6 concentration and enhanced specific surface area. The interaction between the amide groups of biuret and Ti monomers promoted the formation of TiO6 during crystallization, while the confinement effect of biuret facilitated the construction of mesopores. The resulting hierarchical TS-1 exhibited good catalytic activity and stability towards 1-hexene epoxidation and oxidative desulfurization reactions, where the conversion was 1.41 and 3.36 times higher than that of conventional TS-1, respectively. This work provides a facile approach for designing high-performance TS-1 catalysts by dual regulation of active sites and porosity.
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INTERNATIONAL IMMUNOPHARMACOLOGY
·
2026
·
IF 5.6
Yaqi Pu,Tianxin Li,Zihe Zhao,Qian Xu,Yi Jin,Huan Dou,Zhao Liu
Background Abdominal aortic aneurysm (AAA) is a prevalent and potentially fatal cardiovascular disease, yet the precise therapeutic mechanism of the bioactive compound Senkyunolide I (SEI) against AAA is not fully understood. Methods Utilizing an elastase/BAPN-induced AAA mouse model, this study employed integrated network pharmacology, proteomics (LiP-MS), and biophysical validation (molecular docking, MST) to identify and confirm PARP-1 as a direct target of SEI. The therapeutic effect of SEI was evaluated in vivo by monitoring aortic dilation and histopathology, and its inhibitory effect on TNF-α-induced macrophage migration was assessed in vitro . The functional role of the SEI-PARP-1 axis was further verified using PARP-1 inhibitors and macrophage-targeted PARP-1 overexpression. Results In the elastase/BAPN-induced AAA model, which mimics human AAA progression and rupture risk, SEI treatment attenuated disease progression by reducing aortic dilation, collagen deposition, and elastin degradation. SEI directly bound to and downregulated PARP-1 expression in both AAA tissues and large peritoneal macrophages (LPMs). It dose-dependently suppressed TNF-α-induced LPMs migration in vitro and restored the AAA-induced reduction in peritoneal LPMs proportion in vivo , an effect also seen with pharmacological PARP-1 inhibition. In contrast, macrophage-specific PARP-1 overexpression abolished SEI's protection and promoted LPMs migration into aortic lesions. Conclusion This study demonstrates that SEI attenuates AAA progression by targeting PARP-1 and inhibiting the migration of LPMs from the peritoneal cavity to the aortic lesion. These findings elucidate a novel pharmacological mechanism of SEI and underscore PARP-1 as a promising therapeutic target for AAA.
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JOURNAL OF ENVIRONMENTAL MANAGEMENT
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2026
·
IF 9.2
Ubong J. Etim,Peng Bai,Waheed Iqbal,Ziyi Zhong
Supported palladium (Pd) catalysts are known for their exceptional catalytic activity in methane combustion; however, they often undergo rapid deactivation due to sintering under practical reaction conditions. This study aims to develop highly active and stable catalysts for CH 4 combustion by investigating the effect of guest elements within silicalite-1 (S-1) zeolite as supports for Pd. Various transition metals (TMs) were introduced into the S-1 gel to modify its structural properties. The TMs were incorporated into both framework and extra-framework positions, as demonstrated for iron (Fe) and titanium (Ti), resulting in the formation of FeS-1 and TS-1, respectively. The structures were confirmed by Fourier transform infrared (FTIR) and ultraviolet-visible diffused reflectance (UV-vis DR) spectroscopy. Following Pd impregnation, the resulting Pd/FeS-1 and Pd/TS-1 exhibited high activity in CH 4 combustion. Compared to 1Pd/S-1, both 1Pd/FeS-1 and 1Pd/TS-1 achieved excellent low-temperature catalytic performance (T 90 < 400 °C), along with high reaction rates, turnover frequency (TOF) and stability. Characterization of the catalysts confirms the stabilizing effects of Fe and Ti on Pd species, primarily attributed to the formation of PdO x nanoclusters. Fe 3+ maintained PdO x in a more oxidized state, facilitated the activation of gas-phase oxygen, and provided anchoring sites for CH 4 activation into CH 3 ∗ , which combined with activated oxygen species. The reaction follows the Langmuir-Hinshelwood (L-H) mechanism, in which both CH 4 and oxygen are first adsorbed on the catalyst surface. Adsorbed and activated CH 4 species are sequentially oxidized by active oxygen species, leading to the formation of chemisorbed CO species, which are transformed into CO 2 and H 2 O as the final products.
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AICHE JOURNAL
·
2026
·
IF 4.4
Pei Qiao,Yi Guo,Yanan Liu,Chenghua Zhu,Di Cheng,Youshan Zhou,Panpan Song
Phthalate esters (PAEs) are pervasive environmental pollutants that require efficient biodegradation. The substrate specificity of PAEs-degrading microorganisms hinges critically on the catalytic selectivity of microbial esterases. To elucidate the molecular basis of the specificity of Type III PAEs esterases, we developed a chromogenic assay and further integrated machine learning-driven enzyme mining with functional characterization and molecular dynamics analysis. A novel microorganism, Acinetobacter sp. DY-1, was isolated with diverse PAEs-degrading capacities. The esterase 1952 from strain DY-1 exhibited broad substrate specificity and high catalytic efficiency, with a marked preference for long-chain PAEs, such as DEHP. Molecular dynamics simulations revealed stable hydrophobic interactions underpinning 1952s affinity for DEHP. Through targeted mutagenesis, we identified key residues (Leu64, Leu68, and His229) that are essential for substrate binding and catalysis. Their substitution with polar residues drastically reduced DEHP degradation, while the G178Y mutant enhanced activity via π-stacking interactions. This study deciphers the structural determinants of PAE esterase specificity, enabling precise enzyme engineering.
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