JOURNAL OF CATALYSIS
·
2025
·
IF 6.5
Yusen Li,Xiaobin Hou,Xitong Ren,Yajie Tian,Jiajie Sun,Feng Bai,Y. Li,X. Hou,F. Bai
The integration of dual active sites for concurrent oxygen reduction (ORR) and water oxidation (WOR) within a single covalent organic framework (COF) remains a fundamental challenge in the artificial photosynthesis of H 2 O 2 . To address this, we report a positional isomerization strategy that precisely engineers the substitution sites on a pyrene core, constructing four isomeric pyrene-based COFs (A-Py-COF, KA-Py-COF, AK-Py-COF, and K-Py-COF). Structure-activity studies reveal that K-region substitution is pivotal in activating the framework for efficient stepwise two-electron ORR and two-electron WOR. As a result, the optimized K-Py-COF achieves a remarkable photocatalytic H 2 O 2 production rate of 468.3 μ mol g –1 h −1 in pure water without sacrificial agents, representing a 7.8-fold enhancement over its A-Py-COF analogue. In a biphasic water-benzyl alcohol system, the H 2 O 2 production rate of K-Py-COF increases dramatically by 15.3 times, a performance that surpasses most state-of-the-art metal-free COF photocatalysts. By establishing a clear correlation between molecular isomerism and the localization of redox-active sites, this work provides a novel design principle for developing dual-channel COFs toward sustainable H 2 O 2 synthesis.
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高影响因子
FLUID PHASE EQUILIBRIA
·
2025
·
IF 2.7
Yanyan Hou,Zhentao Zhang,Ziyue Zhang,Yi Yu,Li Xu
The solubility of glutaric anhydride (GA) in ten single organic solvents containing methyl acetate, ethyl acetate, n -propyl acetate, butyl acetate, acetone, acetonitrile, dichloromethane, 1,2-dichloroethane, DMF, DMAC, was determined by static method. In the experimental temperature range (278.15 ∼ 313.15 K), the solubility of the measured GA in each solvent increased with the increase of temperature. Among the solvents selected, GA had the highest solubility in DMAC and the lowest solubility in butyl acetate. The solubility of GA in DMAC was about 2 ∼ 3 times higher than in butyl acetate. Solvent effects in different solvents were explained by the Hansen solubility parameter (HSP) and the physicochemical properties of the solvents (polarity, hydrogen bond donor-acceptor tendency, and cohesion energy density). The analysis of solvation effect showed that the changes of GA solubility were the results of the combined effect of multiple factors, among which the effect of solvent polarity was more significant. Based on density functional theory (DFT), the electrostatic potential energy surface and solute-solvent interaction of GA were analyzed at the molecular level. In addition, the solubility data were fitted using the van't Hoff, modified Apelblat, Yaws, λh and Wilson models. The fitting results showed that the Yaws model had the best correlation with the smallest ARD (3.74%) and RMSD (0.82%). The analysis results of the apparent thermodynamic properties indicated that GA dissolution was a spontaneous, endothermic, entropy-driven process.
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高影响因子
ELECTROCHIMICA ACTA
·
2021
·
IF 6.901
Ting Liu,Li Li,Tianhao Yao,Yanni Li,Lei Zhu,Fang Li,Xiaogang Han,Yonghong Cheng,Hongkang Wang
To explore advanced anode materials with superior Li + /Na + /K + storage performances for alkaline ion batteries (AIBs), a hybrid of amorphous vanadium oxide uniformly embedded into the highly defective carbon nanofibers (denoted as VO x @CNFs) was fabricated via a facile electrospinning method followed by proper heat treatment in this work. The integrated structure synergistically combines the advantages of the amorphous VO x and the defective carbon matrices, which can not only bring abundant active sites for ion storage and multi-channels for ion diffusion, but also well accommodate the structural change induced electrode pulverization . When evaluated as anode materials for AIBs, the optimized VO x @CNFs demonstrate excellent alkaline ion storage performances with high-specific capacities, long-cycling life and high-rate capabilities, delivering a Na + storage capacity of 260 mAh g −1 at 1.0 A g −1 after 1000 cycles, a Li + storage capacity of 556 mAh g −1 at 0.5 A g −1 after 500 cycles, and a K + storage capacity of 198 mAh g −1 at 0.5 A g −1 after 400 cycles.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2021
·
IF 2.694
Tiantian Tao,Yumin Liu,Jiayin Zhang,Yu Zhou,Yanbo Liu,Zhenguo Gao
Experimental solubility data of dibenzoylmethane (DBM) in three pure solvents (ethyl acetate, acetonitrile, methylbenzene) and three binary solvents (methanol + water, ethanol + water, and isopropyl alcohol + water) were measured by the gravimetric method from 278.15 to 318.15 K under atmospheric pressure. The experimental results showed that the solubility of DBM increased with the increase of temperature. Moreover, the solubility of DBM was temperature-dependent when the type and composition of solvents remained unchanged. The solubility of DBM decreased with the increase of solvent polarity because the molecular structure of DBM was not conducive to the formation of hydrogen bonds between solute and solvent molecules. The solubilities of DBM were correlated by the modified Apelblat equation, the van’t Hoff equation, the λh equation, and the NRTL equation. The modified Apelblat model produced the best fitting results among these models.
研究领域:
物理化学
·
热力学
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2022
·
IF 3.119
Guo-Liang Nie,Rui-Zhi Cui,Wu Li
According to the composition characteristics of lithium, potassium, bromine, and other resources rich in the salt lake brine of the Qinghai–Tibet Plateau, the phase equilibria of the quaternary system LiBr-NaBr-KBr-H2O and its ternary subsystem LiBr-KBr-H2O at 323.15 K are studied by an isothermal dissolution equilibrium method. The solubility of each system in equilibrium solution at the corresponding temperature is measured, and the corresponding phase diagrams are drawn according to the phase equilibrium experimental data. The results show that there is no complex salt or solid solution in the ternary system LiBr-KBr-H2O at 323.15 K. The phase diagram contains one invariant point (E1), two univariate curves (AE1 and BE1), and two equilibrium solid crystallization regions (corresponding to LiBr·H2O and KBr), belonging to the simple cosaturated type. The quaternary system LiBr-NaBr-KBr-H2O also has no formation of complex salt and solid solution. The phase diagram contains two invariant points (F1 and F2), five univariate curves (E1F1, E3F1, F1F2, E2F2, and E4F2), and four equilibrium solid-phase crystallization regions (corresponding to LiBr·H2O, KBr, NaBr·2H2O, and NaBr). At the same time, to further explain the phase equilibrium relationship of each system at different temperatures and the change rule of each component, comparison and discussion are carried out.
研究领域:
化学工程
·
材料科学
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2020
·
IF 2.369
Lili Zhang,Yingmin Yu,Zhaohui Liao,Xiaosheng Xu,Xin Huang,Bing Jia,Qingsong Li
Liquid–liquid equilibrium data (LLE) of ternary systems {water + 1-butanol + 1-hexanol} and {water + 1-butanol + 1-octanol} were investigated at 303.15, 313.15, and 323.15 K at 101.3 kPa. The distribution coefficient (D) and selectivity factor (S) were calculated from experimental LLE data. Meanwhile, the effect of temperature on the two-phase zone of the two systems was discussed. The nonrandom two liquid and universal quasi-chemical activity coefficient models were used to regress experimental data sets and generate the relevant binary interaction parameters. Both thermodynamic models provided similar good descriptions for the studied systems with root mean square deviations between the calculated and experimental values less than 0.3%.
研究领域:
化学工程
·
物理化学
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高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2022
·
IF 3.119
Renjie Xu,Ganbing Yao
The equilibrium solubility of 8-isoquinolinamine in methanol, ethanol, n-propanol, isopropanol, N,N-dimethylformamide (DMF), acetonitrile, acetone, propylene glycol (PG), ethylene glycol (EG), and water, and aqueous mixtures of methanol/ethanol/n-propanol/isopropanol plus water was experimentally measured by the isothermal saturation method at 278.15–323.15 K under 101.2 kPa. The mole fractions of 8-isoquinolinamine in monosolvents were obtained to be maximum in neat DMF. For the four binary mixed solvent systems, the amount of 8-isoquinolinamine dissolved in n-propanol + water is more than that in the other three systems. The mole fractions of 8-isoquinolinamine in pure solvents were correlated using the Apelblat model, van’t Hoff model, and Wilson model, and the calculated value of the Apelblat model was the closest to the experimental value. The Jouyban–Acree model, modified Apelblat–Jouyban–Acree model, and van’t Hoff–Jouyban–Acree model were applied to calculate the solubility of 8-isoquinolinamine in the four solvent mixtures. The feedback obtained by comparing the experimental data with the calculated data is that the calculated data from the Jouyban–Acree model was relatively close to the experimental results. Solvent effects as a powerful tool can be used to estimate interactions at the molecular level, and the results showed that solvent–solvent intermolecular interactions contribute to dissolution. van’t Hoff plots are adopted as a method to show the relationship between ln(x) and 1/T.
研究领域:
化学
·
药物科学
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2018
·
IF 2.196
Bing Jia,Liping Wang,Mengmeng Yan,Hai Liu,Yingmin Yu,Qingsong Li
Liquid–liquid equilibrium (LLE) data for ternary systems of water + 2,2,3,3-tetrafluoro-1-propanol + anisole/1-octanol were determined at temperatures of 298.2, 308.2, and 318.2 K under 101.3 kPa. The distribution coefficients and separation factors were calculated from experimental LLE data, which indicated that anisole/1-octanol extracted 2,2,3,3-tetrafluoro-1-propanol from aqueous solution with high efficiency. The consistency of the experimental LLE data was assessed by the Othmer–Tobias and Hand equations. Meanwhile, the NRTL and UNIQUAC models were successfully applied to regress and correlate the experimental data, presenting the root-mean-square deviations (RMSD) less than 1.0%. The relevant binary interaction parameters of these two models were also regressed.
研究领域:
化学工程
·
物理化学
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高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2022
·
IF 3.269
Ziyu Zhuang,Dongdong Li,Yanfei Fan,Dandan Gao,Dewen Zeng
The construction of a comprehensive thermodynamic model for boron-containing salt brine is important. However, the general lack of the solubility of H 3 BO 3 + salt + H 2 O ternary systems makes it difficult to determine model parameters involving boron species. Here, we systematically determined the solubility isotherms of the H 3 BO 3 + CsCl + H 2 O system at T = (273.15, 298.15, 323.15, 348.15 and 363.15) K. There are three solubility branches corresponding to H 3 BO 3(cr) , CsCl (cr) and a novel adduct in the system. The determined composition of the adduct is 2H 3 BO 3 ·3CsCl. Moreover, the single crystal structure of 2H 3 BO 3 ·3CsCl is solved, suggesting that H 3 BO 3 molecules keep it native plane-triangle structure, but the O atoms coordinate to the Cs ion. We modeled these ternary solubility isotherms using the Pitzer-Simonson-Clegg (PSC) model implemented in the ISLEC program. With the help of the model, a complete polythermal phase diagram of the system was constructed for the temperature range from 250 K to 373.15 K. The determined standard thermodynamic quantities of 2H 3 BO 3 ·3CsCl (cr) from the model are Δ f G m Θ = − 3182.26 kJ∙mol −1 , Δ f H m Θ = − 3496.19 kJ∙mol −1 , S m Θ = 485.85 J∙K −1 ∙mol −1 , C p , m Θ = 320 J∙K −1 ∙mol −1 , respectively.
研究领域:
化学
·
物理化学
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高影响因子
Journal of Environmental Chemical Engineering
·
2026
·Vol. 14
·期 5
·124074
·
IF 7.5
Xiaoyan Ma,Keyi Xu,Liqin Zhong,Hailong Xu,Qixian Xu,Yali Song,Jing Deng,Stefanos Giannakis
Acesulfame potassium (ACE), an artificial sweetener, is extensively used worldwide and is ubiquitous in aquatic environments in several countries. As an emerging contaminant, ACE may pose a risk to aquatic and water-dependent plant species. This study investigated the physiological and biochemical responses of rice ( Oryza sativa L.) to constant ACE exposure during its key growth stages. The results revealed that ACE exposure had no significant inhibitory effect on the final seed germination rate but significantly impeded early seedling growth, particularly radicle elongation. Biochemical analyses indicated that ACE induced oxidative stress, as evidenced by the altered activities of key antioxidant enzymes and a marked, dose- and time-dependent increase in malondialdehyde (MDA) content, which indicates lipid peroxidation. Specifically, low concentrations of ACE (2.5 μM) enhanced chlorophyll a ( Chla ) synthesis in leaves during specific growth stages, whereas higher concentrations (50 and 100 μM) ultimately inhibited it, leading to the disruption of the photosynthetic apparatus. Furthermore, rice exhibited a significant capacity for ACE uptake and translocation, with accumulation in the following order: roots > stems > leaves. Uptake efficiency increased with plant development and peaked during the booting stage of plant growth. Crucially, sustained exposure led to a progressive decline in soluble protein content, particularly during later growth stages. Collectively, these novel findings demonstrate that ACE imposes substantial physiological stress on rice, primarily through the induction of oxidative damage, disruption of key metabolic pathways, and previously uncharacterized pollutant bioaccumulation and translocation, highlighting the potential risk to rice productivity and underscoring the urgent need for field validation studies.
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MOLECULES
·
2026
·Vol. 31
·期 13
·2397
·
IF 5.1
Hua Li,Zijun Huang,Yifei Hou,Qiyue Liu,Di Li,Wenyue Zhang,Yi Su,Zhide Wang,Zaifa Yang
Against the backdrop of energy conservation and environmental protection, developing more stable and efficient phosphors has become an urgent challenge. In this study, we have synthesized a series of Ca2.5Hf2.5Ga3O12:Eu3+(CHGO:Eu3+) red phosphors via a high-temperature solid-state method, which exhibit strong red emission at 610 nm under 394 nm excitation, corresponding to the5D0→7F2transition of Eu3+. To improve the lattice vacancies caused by charge imbalance when Eu3+is doped into the CHGO lattice to replace Ca2+, we introduce the charge compensator M+(M = Li, Na, K). The results of the emission spectrum show that the introduction of charge compensators can effectively improve the luminescence intensity. Among them, K+has the most significant effect on increasing the emission intensity of Eu3+, making the emission intensity of the phosphor more than twice that when there are no charge compensation ions. Additionally, the quantum efficiency and thermal stability of these phosphors are significantly improved compared to the CHGO:0.075Eu3+sample before substitution. At 423 K, the emission intensity of the CHGO:0.075Eu3+, 0.075K+sample still remains at 88.7% of that at 298 K. The color rendering index of the prepared white LED is 81.2, and its CIE chromaticity coordinates are (0.3212, 0.3065). This indicates that the prepared CHGO:0.075Eu3+, 0.075K+red phosphor has broad application prospects in solid-state lighting.
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高影响因子
Plant Nano Biology
·
2026
·
IF 9.1
Jiaqi Dong,Tiantian Yuan,Haiying Qiu,Jiayi Luo,Zeyu Jiang,Yong He,Zhujun Zhu,Guochao Yan
Soil salinization severely restricts plant growth and threatens food safety. Silicon nanoparticles (SiNPs) can alleviate salt stresses, while the mechanisms remain unclear. Aiming for targeted application of SiNPs under soil salinization, silicate (Si) was selected as reference Si source, and the effects of Si and SiNPs on plant growth, photosynthetic performance, antioxidant performance, and ionic homeostasis in cucumber under salt stress were comprehensively investigated with the usage of principal component analysis (PCA) and transcriptome sequencing. In general, salt stress induced significant growth inhibition in cucumber, with decreased biomass and root morphological parameters, while both Si and SiNPs alleviated growth inhibition in cucumber. In addition, Si and SiNPs application at high concentration more effectively enhanced Na/K homeostasis, and low concentration application of Si and SiNPs induced a more significant regulation on antioxidant enzyme activities. In addition, SiNPs induced a more extensive regulation on gene expression network than Si in response to salt stress in cucumber, which was supported by the results of enrichment analysis. Moreover, correlation analysis between key modules of weighted gene co-expression network analysis (WGCNA) and physiological traits implied that genes related to chloroplast functions, redox balance, and membrane transport processes could be the key targets of SiNPs. Overall, the results showed that Si and SiNPs promoted salt stress resistance in cucumber with a dose-dependent pattern. SiNPs application more effectively promoted cucumber biomass and regulated gene expression network than silicate under salt stress, while several key target genes of SiNPs in modulating salt stress in cucumber were also identified. The results would provide a basis of targeted application of SiNPs under soil salinization.
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高影响因子
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