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Journal of Water Process Engineering · 2026 · IF 6.6

Design of a β-cyclodextrin-modified FeOOH/Al(OH)3 hybrid with interfacial activation for synergistic tetracycline enrichment and stabilization

Yi Ming Jun

β-CD to Fe-Al oxyhydroxide e − transfer induces positive ESP shift, forming e − -deficient cavity. • Activated β-CD cavity enhances TC affinity, supported by experiments and simplified DFT. • Composite achieves 152 mg/g capacity and good reusability and selectivity. • Cooperative enrichment-stabilization: β-CD recognition & Fe coordination. The development of high-performance adsorbents is often constrained by an inherent trade-off between rapid sequestration kinetics and strong binding capacity. To address this bottleneck, we rationally design a β-cyclodextrin-modified mixed-valent iron (Fe 2+ /Fe 3+ ) ‑aluminum hydroxide hybrid composite (CD-FeAl-HC) for efficient tetracycline (TC) removal. A unique cooperative enrichment-stabilization mechanism is realized in this structured composite: interfacial activated β-CD acts as a molecular recognition unit that rapidly pre-concentrates TC from bulk solution, while the adjacent mixed-valent Fe 2+ /Fe 3+ sites provide strong coordination binding for stable immobilization. DFT calculations further reveal that interfacial electron transfer from β-CD to FeAl-HC induces a distinct positive shift in the electrostatic potential of the β-CD cavity, converting it from an inert pocket into an electron-deficient molecular trap. Benefiting from this synergistic effect, CD-FeAl-HC delivers a competitive maximum adsorption capacity (151.99 mg/g), remarkably fast adsorption kinetics, and excellent anti-interference performance against coexisting ions and natural organic matter. Notably, the composite achieves over 90% removal efficiency for both TC and ofloxacin in mixed solution, while maintaining >90% TC removal in real water matrices (reservoir and landscape water). Furthermore, it retains more than 90% of removal efficiency after 10 consecutive adsorption-desorption cycles, demonstrating outstanding reusability. This work establishes a generalizable design strategy that integrates molecular enrichment and surface stabilization within a single hybrid material, providing a promising framework for the rational construction of high-performance adsorbents toward emerging organic pollutant remediation. Download: Download high-res image (160KB) Download: Download full-size image

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JOURNAL OF THE EUROPEAN CERAMIC SOCIETY · 2022 · IF 6.364

Improved microstructure and high quality factor of Li2Ti0.9(Zn1/3Ta2/3)0.1O3 microwave ceramics with LiF additive for LTCC applications

Xinglong Liu,Zexing Wang,Xinyao She,Quanliang Jia,Jiamao Li

In this study, LiF was utilized to decrease sintering temperature , improve microstructure, enhance Q × f , and regulate τ f of Li 2 Ti 0.9 (Zn 1/3 Ta 2/3 ) 0.1 O 3 (abbreviated as LTZT) ceramics. A complete solid solution together with a phase transition from monoclinic to cubic rock salt structure occurred. The cell volume of LTZT ceramics decreased as the LiF content increased. Relatively dense and uniform microstructures were observed for the ceramics as the LiF content was not less than 2 wt%. The dielectric constant of LTZT ceramics initially increased and then decreased with the increasing LiF content. The FWHM of the Raman band at about 808 cm −1 was closely related to the Q × f value. Notably, the samples with 3 wt% LiF exhibited the highest relative density of 97.4 % and satisfactory microwave dielectric properties of ε r = 23.14 ± 0.16, Q × f = 110,090 ± 1100 GHz, and τ f = +3.25 ± 1.45 ppm/°C when sintered at 950 °C. Good chemical compatibility with silver indicated the ceramic is a promising candidate in LTCC applications.

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FOOD CHEMISTRY · 2022 · IF 9.231

Formation of hydroxyphenyl-pyranoanthocyanins derived from cyanidin-3-O-glucoside and effects of high-pressure processing on the transformation efficiency

Yingyu Zeng,Xusheng Li,Kailan Yuan,Bo Chen,Wenbao Zhang,Chao Wang,Jianxia Sun,Hosahalli S. Ramaswamy,Weibin Bai

Hydroxyphenyl-pyranoanthocyanins (PACNs), derived from anthocyanins (ACNs) reacted with hydroxycinnamic acids, have higher practical application value because of better physicochemical stability than their precursors. However, the slow formation rate restricted their broader applications. In the present study, cyanidin-3- O -glucoside (C3G) was chosen to react with four kinds of hydroxycinnamic acids in a model solution. Changes of color and the production of hydroxyphenyl-PACNs were monitored. The formation of derivatives was time-dependent, and the orange-yellow changing trend was correlated with the formation of PACNs and the consumption of C3G. In addition, high-pressure processing (HPP) as a widely-used non-thermal processing method in the food industry was conducted to investigate its impact on hydroxyphenyl-PACNs formation. The results showed that HPP significantly improves the yield of two types of hydroxyphenyl-PACNs (C3G-4-vinylcatechol and C3G-4-vinylphenol) and the retention of total residual pigments during 56 days of storage. Therefore, HPP contributed to color-protecting and the transformation of hydroxyphenyl-PACNs.

CAS / MDL: 9005-38-3
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CHEMOSPHERE · 2022 · IF 8.943

Genus unclassified_Muribaculaceae and microbiota-derived butyrate and indole-3-propionic acid are involved in benzene-induced hematopoietic injury in mice

Jingyu Wang,Lin Han,Ziyan Liu,Wei Zhang,Lei Zhang,Jiaru Jing,Ai Gao

Benzene is a group I carcinogen determined by IARC. The prevalence of benzene in occupational and general environments increases the risk of acute myeloid leukemia (AML) among workers and childhood leukemia. However, the mechanism of hematotoxicity induced by benzene remains unclear. Recently, the gut microbiota has been regarded as a pivotal part of normal and malignant hematopoiesis . Therefore, in this study, we explored the function of gut microbiota in hematopoietic injury induced by benzene by 16S rRNA sequencing. We found that benzene exposure caused bone marrow damage, hematopoietic stem and progenitor cells ( HSPCs) dysfunction, and peripheral blood cell reduction. Moreover, intestinal barrier damage and gut microbiota dysbiosis were also observed in benzene-exposed mice. Interestingly, two gut flora, Lachnospiraceae_NK4A136_group and unclassified_Muribaculaceae, were significantly up-regulated and associated with hematopoietic indicators, suggesting that gut-host crosstalk might mediate benzene hematotoxicity. Microbiota-derived metabolites, such as short-chain fatty acids (SCFAs), bile acids, and tryptophan metabolites, are the primary mediators of the gut-host crosstalk . Therefore, we conducted absolute quantitative metabolomics to investigate the impact of benzene exposure on these metabolites in mice. The results showed that the concentration of SCFA butyrate, t ryptophan metabolites kynurenine, and Indole-3-propionic acid (IPA) were significantly altered after benzene exposure. However, no difference was found in bile acids. Significant correlations were found between altered metabolites and hematopoietic indicators. We then investigated the flora that derived these metabolites. Lachnospiraceae_NK4A136_group and unclassified_Muribaculaceae were enriched in the butyrate metabolism and tryptophan metabolism pathways. Correlation analysis further suggested that unclassified_Muribaculaceae was positively associated with butyrate (r = 0.588, P < 0.05) and IPA (r = 0.59, P < 0.05). The above results demonstrated that unclassified_Muribaculaceae and microbiota-derived butyrate and IPA were involved in hematopoietic toxicity caused by benzene. This study provides insight into gut microbiota-derived metabolites-host crosstalk in benzene hematopoietic toxicity.

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Journal of Cleaner Production · 2022 · IF 11.072

Nitrogen-doped magnetic biochar made with K3[Fe(C2O4)3] to adsorb dyes: Experimental approach and density functional theory modeling

Xinyu Zhang,Hai Nguyen Tran,Yena Liu,Chao Yang,Tingwei Zhang,Jiaqi Guo,Wenyuan Zhu,Mehraj Ahmad,Huining Xiao,Junlong Song

Magnetic biochar displays promising applications in dye wastewater treatment since it can be effectively separated by magnetism. However, the preparation of magnetic biochar with a large specific surface area is complicated and the effects of ferrous and/or ferric ions on dye adsorption are not clear enough. Herein, a facile one-pot approach of magnetic self-nitrogen-doped biochar fabrication was developed, using K 3 [Fe(C 2 O 4 ) 3 ] as an activator and iron supplier. Magnetic self-nitrogen-doped biochar could be easily separated with a magnet. Magnetic self-nitrogen-doped biochar had a large specific surface area (1034 m 2 /g) and excellent adsorption capacities for Congo red (1360 mg/g) and Rhodamine B (320 mg/g). From thermodynamics studies, Congo red adsorption on magnetic self-nitrogen-doped biochar is better than Rhodamine B. Based on the larger adsorption energies , magnetic self-nitrogen-doped biochar has a relatively stronger binding ability for Congo red than Rhodamine B, and the ferrous ions loaded on biochar surface are more beneficial for dye adsorption than ferric ones.

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Current Research in Food Science · 2022 · IF 6.269

Enzymatic acylation of cyanidin-3-O-glucoside in raspberry anthocyanins for intelligent packaging: Improvement of stability, lipophilicity and functional properties

Yang Lin,Cong Li,Ping Shao,Ligang Jiang,Bilian Chen,Mohamed A. Farag

Anthocyanins (ACNs) as one category of water-soluble flavonoid pigments are increasingly employed in pH sensing indicator applications for monitoring food freshness. Nevertheless, considering that anthocyanins are sensitive to environmental factors, their practical applications in food industries are still rather limited. In order to improve the stability of anthocyanins and capitalize upon their application in pH-color responsive intelligent packaging, this study aims to graft octanoic aid onto raspberry anthocyanins catalyzed by immobilized Candida antarctica lipase B (Novozymes 435). Structural analyses based on Fourier transform infrared spectroscopy (FTIR), UV–Vis, liquid chromatography-mass spectrometry (LC-MS), and nuclear magnetic resonance (NMR) revealed that octanoic acid was regioselective grafted onto the 6-OH position of its glucoside. The acylation efficiency of C3G by octanoic acid up to 47.1%. The octanoic acid moiety was found to improve lipophilicity, antioxidant activity and stability of C3G. In addition, acylated derivative also maintained the pH-color response characteristics of nature ACNs and exhibited excellent NH 3 response properties. These results indicated that acylated anthocyanins exhibit potential application as intelligent packaging indicator for monitoring food freshness.

CAS / MDL: 7235-40-7
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Food & Function · 2022 ·Vol. 13 ·期 5 ·2618-2630 · IF 6.317

Acetylated pelargonidin-3-O-glucoside exhibits promising thermostability, lipophilicity, and protectivity against oxidative damage by activating the Nrf2/ARE pathway

Xin Hao,Jiahong Xie,Yuting Li,Wei Chen

Anthocyanins are natural products that display diverse bioactivities but are limited in their applications by low stability and bioavailability. Acylated anthocyanins are found to possess higher stability, while their bioactivities are still obscure. In this study, acetylation of pelargonidin-3-O-glucoside (Pg3G) was catalyzed by Candida antarctica lipase B (CALB) for the first time, with a conversion rate up to 88.77% over 48 h. The acetylated product was identified as pelargonidin-3-O-(6′′-acetyl)-glucoside and its properties were detected. Notably, acetylated Pg3G (Ace Pg3G) possessed better thermostability and lipophilicity than Pg3G, indicating a longer retention time at physiological pH and facilitating penetration into the lipophilic medium as well as the cell membrane. Most importantly, Ace Pg3G exerted better alleviation effects against H2O2-induced oxidative hepatic damage than parent Pg3G via activating the Nrf2/ARE signaling pathway and upregulating the expressions of the downstream phase II detoxification enzymes GCLC and HO-1, thereby reversing redox imbalance and enhancing cell survival. Overall, our research unveiled the better health benefits of Ace Pg3G and also provided new insights about the applications of acetylated anthocyanins in food, cosmetic, and pharmaceutical products.

CAS / MDL: 75-85-4 75-05-8 67-68-5
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CRYSTENGCOMM · 2022 ·Vol. 24 ·期 14 ·2542-2550 · IF 3.756

Cd4REO(BO3)3 (RE = Sm, Eu, Tb): three new cadmium–rare earth oxyborates with both good NLO and luminescence properties

Ming-Yang Cao,Chun-Li Hu,Peng-Fei Chen,Qian Wang,Bing-Xuan Li,Yuan Lin,Jiang-Gao Mao

Three nonlinear optical materials Cd4REO(BO3)3 (RE = Sm, Eu, Tb) have been synthesized through high-temperature solid-state reactions. In their crystal structures, Cd(1)O8 and Cd(2)O6 polyhedra are interconnected via sharing edges and corners into a 3D anion framework with two types of tunnels based on 4- and 7-membered rings; the BO3 groups are grafted into the above-mentioned types, creating new tunnels based on Cd4B3 seven-membered rings, which are filled by RE3+ cations. Powder SHG measurements revealed that the Cd4REO(BO3)3 (RE = Sm, Eu, Tb) samples display SHG signals that are approximately 1.2, 5.6 and 1.5 times that of the KDP sample. In addition, Cd4EuO(BO3)3 and Cd4TbO(BO3)3 emit red and green light, respectively. The lifetime of the Eu(5D0) state for λex,em = 464, 610 nm in Cd4EuO(BO3)3 is measured to be about 1.43 ms whereas the lifetime of the Tb(5D4) state for λex,em = 376, 543 nm in Cd4TbO(BO3)3 is measured to be about 1.01 ms.

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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2022 · IF 3.119

Measurement and Correlation of Solubility of Methyl 1,2,4-Triazole-3-carboxylate in 14 Pure Solvents from 278.15 to 318.15 K

Yang Li,Kejia Liu,Long Meng,Yong Wang

The solubility of methyl 1,2,4-triazole-3-carboxylate in 14 solvents (methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, isobutyl alcohol, acetonitrile, acetone, 2-pentanone, 3-pentanone, 4-methyl-2-pentanone, cyclopentanone, cyclohexanone, tetrahydrofuran) in the range from 278.15 to 318.15 K and at atmospheric pressure was measured in this study. The solubility of methyl 1,2,4-triazole-3-carboxylate in all solvents increases with the increasing temperature. The solubility of methyl 1,2,4-triazole-3-carboxylate in the solvents except for methanol and cyclohexanone does not show much difference, and is significantly smaller than that in methanol and cyclohexanone. The solubility of methyl 1,2,4-triazole-3-carboxylate is not strictly related to polarity of the solvents as it is to the existence of other factors. The solubility of methyl 1,2,4-triazole-3-carboxylate was correlated by the λh equation, modified Apelblat model, and Yaws model. The Yaws model is the best one among the three models with average relative deviation (ARD) and average root-mean-square deviation (104(RMSD)) of 1.18% and 0.364. The work in this study provides important solubility data for purification and synthesis of methyl 1,2,4-triazole-3-carboxylate.

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CHEMOSPHERE · 2022 · IF 8.943

Degradation of 3-chlorocarbazole in water by sulfidated zero-valent iron/peroxymonosulfate system: Kinetics, influential factors, degradation products and pathways

Zhuyu Sun,Dan Geng,Xiuling Wu,Luxiang Zhu,Jin Wen,Le Wang,Xiaoxiang Zhao

As an emerging class of organic contaminants , polyhalogenated carbazoles (PHCZs) have been increasingly detected all over the world since 1980s. Due to the environmental persistence, bioaccumulation, and dioxin-like toxicity, PHCZs have aroused widespread concerns in recent years. However, efficient approach for the degradation of PHCZs is quite limited so far. Therefore, in this study, an advanced oxidation process (AOP), sulfidated zero-valent iron/peroxymonosulfate (S-ZVI/PMS) system was used to degrade 3-chlorocarbazole (3-CCZ), which is one of the mostly detected PHCZs congeners. The degradation of 3-CCZ was systematically studied under different conditions by varying the molar ratio of S/Fe, the dosage of S-ZVI or PMS, pH and temperature. The results indicated that S-ZVI/PMS was an effective strategy for PHCZs treatment. The 20-min degradation efficiency of 3-CZZ was up to 96.6% with the pseudo-first-order rate constant of 0.168 min −1 under the conditions of 5 mg/L 3-CZZ, 0.3 g/L S-ZVI (S/Fe = 0.2), 1.0 mM PMS, pH 5.8 and 25 °C. HCO 3 − , Cl − and humic acid (HA) showed inhibitory effects to different degrees. Results of the electron paramagnetic resonance (EPR) and scavenging experiments clarified the dominant role of •OH, followed by 1 O 2 and SO 4 •─ . The product analysis and DFT calculation revealed three degradation pathways of 3-CCZ, namely hydroxylation, dechlorination and C–N bond cleavage, which largely alleviated the toxicity of the parent compound. This study showed the effectiveness of S-ZVI/PMS system in PHCZs treatment and provided a comprehensive investigation on the degradation behaviors of PHCZs in AOPs.

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APPLIED AND ENVIRONMENTAL MICROBIOLOGY · 2022 ·Vol. 88 ·期 6 · IF 5.005

Synergistic Effects of 3-Nitrooxypropanol with Fumarate in the Regulation of Propionate Formation and Methanogenesis in Dairy Cows In Vitro

Zihao Liu,Kun Wang,Xuemei Nan,Meng Cai,Liang Yang,Benhai Xiong,Yiguang Zhao

3-Nitrooxypropanol (3-NOP) is effective at reducing ruminal methane emissions in ruminants. But it also causes a drastic increase in hydrogen accumulation, resulting in feed energy waste. Fumarate is a key precursor for propionate formation and plays an important role in rumen hydrogen metabolism. Therefore, this study examined the effects of 3-NOP combined with fumarate on volatile fatty acids, methanogenesis, and microbial community structures in dairy cows in vitro. The in vitro culture experiment was performed using a 2-by-2 factorial design, two 3-NOP levels (0 or 2 mg/g dry matter [DM]) and two fumarate levels (0 or 100 mg/g DM), including 3 runs with 4 treatments, 4 replicates, and 4 blanks containing only the inoculum. Rumen fluid was collected from three lactating Holstein cows with permanent ruminal fistulas. The combination of 3-NOP and fumarate reduced methane emissions by 11.48% without affecting dry matter degradability. The propionate concentration increased and the acetate/propionate ratio decreased significantly. In terms of bacteria, the combination of 3-NOP and fumarate reduced the abundances of Ruminococcus and Lachnospiraceae_NK3A20_group and increased the abundances of Prevotella and Succiniclasticum. For archaea, the combination of 3-NOP and fumarate significantly increased the abundances of Methanobrevibacter_sp._AbM4, while the abundance of operational taxonomic unit 581 (OTU581) (belonging to an uncultured_rumen_methanogen_g__Methanobrevibacter strain) was significantly decreased. These results indicated that the combination of 3-NOP and fumarate could alleviate the accumulation of hydrogen and enhance the inhibition of methanogenesis compared with 3-NOP only in dairy cows.IMPORTANCE The global problem of climate change and the greenhouse effect has become increasingly severe, and the abatement of greenhouse gases has received great attention from the international community. Methane produced by ruminants during digestion not only aggravates the greenhouse effect but also causes a waste of feed energy. As a methane inhibitor, 3-nitrooxypropanol can effectively reduce methane emissions from ruminants. However, when it inhibits methane emissions, the emission of hydrogen increases sharply, resulting in the waste of feed resources. Fumarate is a propionic acid precursor that can promote the metabolism of hydrogen to propionic acid in animals. Therefore, we studied the effects of the combined addition of 3-nitrooxypropanol and fumarate on methanogenesis, rumen fermentation, and rumen flora. It is of great significance to inhibit methane emission from ruminants and slow down the greenhouse effect.

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JOURNAL OF MOLECULAR LIQUIDS · 2022 · IF 6.633

Investigation on Hansen solubility parameter, solvent effect and thermodynamic properties of 3-methylflavone-8-carboxylic acid dissolved in different solvents

Ziteng Wang,Yanjuan Peng,Xinxin Cheng,Jingjing Yang,Bin Zhou,Li Mi,Yonghong Hu

In this work, the dissolution behavior of a novel pharmacological factor, 3-methylflavone-8-carboxylic acid (MFCA) in different solvents was studied. Firstly, the solubility of MFCA in ten mono-solvents (acetonitrile, tetrahydrofuran, acetone, N,N-dimethylformamide, methyl acetate, ethyl acetate, butyl acetate, methanol, ethanol and isobutanol) and three binary solvents (N,N-dimethylformamide + acetonitrile, tetrahydrofuran + acetonitrile, methyl acetate + acetonitrile) at different temperatures (273.15–323.15 K) was determined by static equilibrium-high performance liquid chromatography. The experimental results showed that the solubility of MFCA increased with increasing temperature in tested solvents, and the solubility of MFCA in N,N-dimethylformamide was maximal. The Hansen solubility parameter was used to research the dissolution behavior of MFCA. Meanwhile, the solvent effect was discussed by KAT-LSER model in ten mono-solvents, and it was found that the hydrogen bond basicity and nonspecific dipolarity/polarizability were favorable to the dissolution of MFCA. In addition, modified Apelblat model, λh model, CNIBS/R-K model and Jouyban-Acree model were used to analyze the correlation and evaluate the applicability for the experimental solubility data of MFCA. The calculated data showed that modified Apelblat model and CNIBS/R-K model are the best models for mono and binary solvents, respectively. Finally, the dissolution thermodynamic properties of MFCA were studied by van't Hoff analysis, indicating that the dissolution of MFCA was an endothermic and entropic driven process. To sum up, these experimental results could provide pretty reference for purification and crystallization optimization of MFCA, and realize the industrial large-scale production of various drugs such as diuretic.

CAS / MDL: 3468-01-7
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