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JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES · 2021 · IF 3.205

Metabolomics and molecular docking to compare of the efficacies of wild-simulated and transplanted Astragali Radix based on its compatibility with Angelicae Sinensis Radix against blood deficiency

YueTao Liu,ZiYing Wang,XueMei Qin

Astragali Radix (AR) has been widely used as bulk medicines in China. Currently, there are mainly two types in the market, wild-simulated AR (WAR) and transplanted AR (TAR). The present work was designed to compare their effects in treatment of blood deficiency with its compatibility with Angelicae Sinensis Radix, a classical formula Danggui Buxue decoction (DBD). UHPLC-Q-Exactive-MS-based serum metabolomics was firstly applied to compare their metabolic regulations in blood deficiency mice. Metabolic results showed that 17 metabolites were closely related to blood deficiency. WAR-DBD and TAR-DBD significantly improved 13 and 8 metabolites among them, respectively. Further, fourteen genes were selected as promising targets for treating blood deficiency by searching GeneCards and CTD database. The results of molecular docking also showed that eight components of AR and three serum metabolites had strongest correlations with blood deficiency targets. The results further revealed that WAR-DBD was better than TAR-DBD against blood deficiency. The method provided a new way to compare the hematopoietic differences of AR of different cultivation methods. In addition, molecular docking plays an irreplaceable role in explaining the molecular mechanism of biological processes .

CAS / MDL: 114-83-0
研究领域: 中药学 · 代谢组学 · 分子生物学
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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2022 · IF 9.965

Bowknot-like Zr/La bimetallic organic frameworks for enhanced arsenate and phosphate removal: Combined experimental and DFT studies

Lingchao Kong,Jun Zhang,Yi Wang,Qinlin Yan,Jiayu Xu,Xi Quan,Charles B. Andrews,Zuotai Zhang,Chunmiao Zheng

Hazardous oxyanions in water bodies are potentially toxic to aquatic life, and the coexistence of multiple anions aggravates the toxicity. Herein, bowknot-like Zr/La bimetallic organic frameworks (Zr/La-BTC) were developed with superior hazardous oxyanion adsorption capacities, i.e., approximately 102 mg/g for arsenate and 159 mg/g for phosphate, respectively. The molar ratio of Zr to La in Zr/La-BTC plays a significant role in the structure and the adsorption efficiencies. Notably, the experiment-derived adsorption capacities of various Zr/La-BTC samples were consistent with their adsorption energies calculated by density-function theory (DFT). Further mechanism analysis revealed that coordination of Zr/La atoms with the target anion groups occurred during adsorption. The positive shift of binding energies in La 3d and Zr 3d XPS spectra and Bader charge analysis unveiled that back-donation interactions dominated the adsorption process . The reliable adsorption selectivity and reusability of 0.1Zr/La-BTC were verified with anion competition experiments and four adsorption-desorption cycles. Overall, this study provides significant insight into the design of high-performance bimetallic organic frameworks for the enhanced removal of hazardous oxyanions from water.

研究领域: 环境科学 · 材料科学
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ACS ES&T Water · 2023 · IF 5.3

Bromide Catalyzes the Transformation of Nitrite by Sulfate Radical Oxidation

Jiayue Dong,Peizeng Yang,Gregory V. Korshin,Junhe Lu

Bromide (Br–) and nitrite (NO2–) can be transformed to brominated and nitrophenolic byproducts, respectively, in sulfate radical (SO4·–)-based oxidation processes, which has raised growing concern. In the present work, we examined the byproducts in the heat-activated persulfate oxidation system with the copresence of Br– and NO2–, finding that Br– acted as a catalyst to accelerate the NO2– transformation and nitrophenolic byproduct formation. Nitryl bromide (NO2Br) was the key intermediate in this process. It was generated by the reaction between NO2– and free bromine in situ formed as the product of the oxidation of Br– by SO4·–. As a strong nitrating agent, NO2Br reacted with natural organic matter directly, resulting in nitrophenolic byproducts. Alternatively, it reacted with excess NO2– to form N2O4, which hydrolyzed to NO3– ultimately. Both pathways were accompanied by releasing Br–. There was little Br– loss in the earlier reaction phase. Only after NO2– was completely transformed, brominated byproduct formation occurred. Thus, the transformations of Br– and NO2– are interweaved in SR-AOPs, which facilitates the formation of nitrophenolic byproducts but inhibits brominated byproducts. These new insights underscore the potential hazardous effects when SO4·– oxidation is applied under realistic environmental conditions.

研究领域: 环境科学 · 化学
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Evidence-based Complementary and Alternative Medicine · 2023 · IF 2.65

Online Microextraction Coupled with HPLC-ABTS for Rapid Analysis of Antioxidants from the Root of Polygonum bistorta

Wei-Qi Yang,Zheng-Ming Qian,Meng-Qi Wu,Jian-Li Gao,Qi Huang,Yuan-Sheng Zou,Dan Tang

The root of Polygonum bistorta (PB) is a traditional Chinese medicinal plant material widely used in China. It has been commonly used for the treatment of hemostasis, detumescence, diarrhea, snake bite, and acute gastroenteritis. However, the research on the antioxidant properties and bioactive compounds from PB is inadequate. In the current research, an online microextraction (OLME) coupled with a high-performance liquid chromatography coupled with the 2,2-nitrogen-di (3-ethyl-benzothiazole-6-sulfonic acid) diammonium salt antioxidant assay (HPLC-ABTS) system for rapid analysis of antioxidants from PB was proposed. The PB sample (0.17 mg) was online extracted by mobile phase (acetonitrile and 0.2% acetic acid); a Poroshell 120 SB-Aq column was used for separation; then, an online ABTS assay system was used for screening the antioxidants. Finally, ten components were found in PB, and among them, eight components possessed antioxidant activities. Furthermore, five components (gallic acid, neochlorogenic acid, caffeic acid, chlorogenic acid, and an unknown compound) were proved as major antioxidants when compared with rutin as an antioxidant marker. The results showed that the developed OLME-HPLC-ABTS system was a simple, rapid, green, and efficient instrument for the screening of antioxidants from PB, which provides a powerful tool for the discovery of natural antioxidants in Chinese medicines.

研究领域: 生药学 · 分析化学 · 天然产物 · 中医药
✓ 已验证 产品关联 DOI PubMed 高影响因子
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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS · 2023 · IF 5.2

Effect of SO42- and PO43- on flotation and surface adsorption of dolomite: Experimental and molecular dynamics simulation studies

Hu Huang,Wenxin Gao,Xianbo Li

H 2 SO 4 and H 3 PO 4 are commonly used as depressants for flotation of dolomite from apatite . Unsatisfactorily, the dissociated anions such as SO 4 2- and PO 4 3- may cause trouble to the flotation . In this study, the effect of SO 4 2- , PO 4 3- on the floatability and surface adsorption of dolomite were revealed by experimental and molecular dynamics simulation studies. The results show that SO 4 2- and PO 4 3- , especially PO 4 3- , have a negative effect on flotation of dolomite. The mechanism is that the presence of SO 4 2- and PO 4 3- could inhibit the adsorption of sodium oleate collector on the dolomite surface, and decrease its adsorption capacity. In addition, SO 4 2- and PO 4 3- could react with Ca 2+ to form the hydrophilic CaSO 4 ·2H 2 O and Ca(H 2 PO 4 ) 2 , respectively, the synergistic effect resulted in a decrease in the surface hydrophobicity . As a result, the flotation of dolomite was inhibited. This study clarifies the adverse effects of dissociated anions on dolomite flotation, which also lays a foundation for the targeted removal of these ions in the next step.

CAS / MDL: 143-19-1
研究领域: 矿物加工工程 · 表面化学
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Food Biophysics · 2024 · IF 2.8

Identification of Polyphenol Oxidase Inhibitors from the Root of Pueraria Lobata: Inhibitor Profiles, Kinetics Analysis and Molecular Interaction

Liu Junping,Liang Chaorui,Jiang Hongwei,Yu Ziqi,Zou Liqiang,Zhou Lei,Liu Wei

Enzymatic browning induced by polyphenol oxidase (PPO) plays a significant role to quality reduction in fruit and vegetables. PPO inhibitors derived from natural products are gaining attention for their strong inhibitory abilities and low toxicity. This study aims to identify the component of phenolic-rich extract from Pueraria lobata root and evaluate their inhibitory capacity on PPO. The results showed that nine phenolics were identified by UPLC-QE-Orbitrap-MS method as PPO effective inhibitors based on their IC 50 values, in which kaempferol showed the strongest inhibitory effect. Among the inhibitors, kaempferol, daidzein, phloretin and luteolin with different inhibitory abilities were selected as representative flavonols, isoflavones, chalcones and flavonoids compounds to investigate the kinetics analysis and molecular interaction. Kaempferol and daidzein exhibited competitive inhibition on PPO, while phloretin and luteolin showed mixed-type and non-competitive inhibition, respectively. According to the fluorescence spectra results, these inhibitors were bound to PPO and quenching fluorescence, among which kaempferol showed the highest K b value and accompanied by the blueshift. Molecular docking results indicated that the inhibitors interact with PPO primarily through hydrophobic interactions, van der Waals forces and hydrogen bonds, in which kaempferol showed the strongest binding ability with the lowest binding energy. This research provides a theoretical basis for the practical application of Pueraria lobata root extracts as natural PPO inhibitors in the food industry.

CAS / MDL:
研究领域: 食品科学 · 植物化学 · 酶学 · 药理学
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Frontiers in Plant Science · 2020 · IF 4.402

Phenolic Acids Released in Maize Rhizosphere During Maize-Soybean Intercropping Inhibit Phytophthora Blight of Soybean

Zhang He,Yang Yuxin,Mei Xinyue,Li Ying,Wu Jiaqing,Li Yiwen,Wang Huiling,Huang Huichuan,Yang Min,He Xiahong,Zhu Shusheng,Liu Yixiang

Interspecies interactions play a key role in soil-borne disease suppression in intercropping systems. However, there are limited data on the underlying mechanisms of soil-borne Phytophthora disease suppression. Here, a field experiment confirmed the effects of maize and soybean intercropping on Phytophthora blight of soybean caused by Phytophthora sojae. Experimentally, the roots and root exudates of maize were found to attract P. sojae zoospores and inhibit their motility and the germination of cystospores. Furthermore, five phenolic acids (p-coumaric acid, cinnamic acid, p-hydroxybenzoic acid, vanillic acid, and ferulic acid) that were consistently identified in the root exudates and rhizosphere soil of maize were found to interfere with the infection behavior of P. sojae. Among them, cinnamic acid was associated with significant chemotaxis in zoospores, and p-coumaric acid and cinnamic acid showed strong antimicrobial activity against P. sojae. However, in the rhizosphere soil of soybean, only p-hydroxybenzoic acid, low concentrations of vanillic acid, and ferulic acid were identified. Importantly, the coexistence of five phenolic acids in the maize rhizosphere compared with three phenolic acids in the soybean rhizosphere showed strong synergistic antimicrobial activity against the infection behavior of P. sojae. In summary, the types and concentrations of phenolic acids in maize and soybean rhizosphere soils were found to be crucial factors for Phytophthora disease suppression in this intercropping system.

CAS / MDL: 99-96-7
研究领域: 农业 · 植物病理学 · 土壤学 · 真菌学
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Journal of Materials Chemistry C · 2015 ·Vol. 3 ·期 9 ·2003-2015 · IF 4.696

Luminescent sensing profiles based on anion-responsive lanthanide(III) quinolinecarboxylate materials: solid-state structures, photophysical properties, and anionic species recognition

Wentao Xu,Youfu Zhou,Decai Huang,Mingyi Su,Kun Wang,Ming Xiang,Maochun Hong

Lanthanide complexes based on the quinolinecarboxylate ligand 2-phenyl-4-quinolinecarboxylic acid (PQC), namely, Ln2PQC6 (Ln = La3+, Pr3+, Nd3+, Sm3+ and Eu3+) were synthesized by a convenient solvothermal reaction, and the related crystal structures were determined. These complexes are isostructural and feature a discrete dinuclear moiety, in which solvent molecules act as coligands and the Ln3+ centre exhibits distorted tricapped trigonal prism geometry. By the introduction of the PQC ligand, the europium sample Eu2PQC6 (5) showing intense red emission in the solid state and solution, with both the replaceable coordination environment and potential hydrogen-bonding-accepting site, can be explored as a luminescent probe for sensing various anions. Among the tested ions (F−, Cl−, Br−, I−, NO3−, ClO4−, SCN−, HCO3−, HSO4− and H2PO4−), HSO4− and H2PO4− possess a strong response in the Eu3+ emitting behaviour leading to a unique quenching with a low detection limit of 15.3 and 8.3 nM, respectively, and a quick response time of less than 30 s. The different recognition mechanisms for two anions, including O–H⋯N hydrogen bonding and metal coordination modes have been proposed, which are supported by UV-vis, fluorescence spectroscopy, nuclear magnetic resonance (NMR) and X-ray photoelectron spectroscopy (XPS) measurements. In addition, density functional theory (DFT) calculations were carried out to verify the two recognition mechanisms of Eu2PQC6 in depth. As an extended research, Eu2PQC6 interaction with the nucleoside phosphates adenosine triphosphate (ATP), adenosine diphosphate (ADP) and adenosine monophosphate (AMP) in mixed aqueous solution was investigated, which can act as a special luminescent sensor for all three phosphates. The strong quenching by ADP (99.5%), has been ascribed to the strong bonding affinity (log Ka = 5.99) based on electrostatic attractions and steric effects.

CAS / MDL: 143-19-1
研究领域: 材料科学 · 分析化学 · 理论化学
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CARBON · 2023 · IF 10.9

Carbon-bridged atomically dispersed platinum on MOF-derived ZnO/C for selective photocatalytic oxidation of NO into Nitrates and Nitrites

Lizhen Hu,Jiayou Liu,Xiaoxiang Huang,Qianqian Nie,Penglei Liu,Zhongchao Tan,Hesheng Yu

Using nanoclusters and single atoms with unique activity to replace nanoparticles is a promising strategy to enhance catalyst activity. However, stable loading of nanoclusters and single atoms remain a challenge. This paper reports atomically dispersed Pt bridged with metal-organic framework (MOF)-derived ZnO/C through carbon atoms (Pt–ZnO/C), by impregnation combined with calcination , for photocatalytic oxidation of NO. The MOF-derived ZnO/C has a larger specific surface area than pure ZnO. The presence of C enhances the visible light absorption, promotes the migration of photogenerated carriers , and more importantly facilitates the stabilization of Pt single atoms through Pt–C interactions. The Pt species present in the Pt–ZnO/C catalysts in the form of single atoms and nanoclusters. The Pt–ZnO/C catalysts show high NO conversion rates and selectivity towards NO 3 − /NO 2 − ions formation. Specifically, the NO conversion rate of 81.9% is much higher than those of ZnO/C (31.4%) and Pt nanoparticles loaded ZnO/C (Pt NPs-ZnO/C, 58.6%). In addition, the selectivity of NO 3 − /NO 2 − (i.e., 98.6%) formation over the Pt–ZnO/C catalyst is much higher than that of NO 2 (i.e., 1.4%). Furthermore, the photocatalysis tests and ESR results suggest that the Pt single atoms and nanoclusters can enhance the oxidation of NO by promoting the production of O 2 •- and OH • . The DFT results also reveal that single Pt atoms promote the adsorption of O 2 and H 2 O to form O 2 •- and OH • . More importantly, OH • can promote the selective oxidation of NO to NO 3 − /NO 2 − ions. In addition, the projected density of states of single Pt atoms loaded on the ZnO/C catalysts show that the presence of C atom bridge favors the stability of single Pt atoms because of the interaction between C and Pt atoms. This work provides a new strategy for the design of single-atom-loaded metal oxide catalysts.

CAS / MDL: 693-98-1
研究领域: 环境科学 · 材料科学
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ACS Applied Polymer Materials · 2022 · IF 4.855

Copper-Based Energetic Coordination Polymers Regulated by CN– and NO3– for the Combustion Decomposition of Ammonium Perchlorate

Yuxia Ren,Min Li,Haiyuan Ye,Zhengqiang Xia,Qi Yang,Gang Xie,Sanping Chen,Shengli Gao,Jack Y. Lu

Energetic coordination polymers (ECPs) have good application prospects as combustion promoters of solid propellants. In this work, based on a rigid proton-free nitrogen-rich ligand 1,3,5-tri(1H-1,2,4-triazol-1-yl)benzene (TTB) and an environmentally friendly copper ion, two ECPs, {[Cu6(TTB)2(CN)6]·CH3CN}n (1) and {[Cu(TTB)(NO3)2]·CH3CN}n (2), were prepared by the solvothermal method using an anion regulation strategy. X-ray crystallographic analyses, thermal stability, kinetic parameters of exothermic decomposition process, thermal safety performances, mechanical sensitivity, and theoretical detonation characteristics of two ECPs were, respectively, explored. Meanwhile, their promoting effects on the combustion decomposition of ammonium perchlorate were investigated by differential scanning calorimetry tests, thermal decomposition kinetics, and surface morphology analyses. Experimental results indicated that ECP 2 has good application potential in the solid propellant field.

研究领域: 材料科学 · 化学工程
✓ 已验证 DOI 高影响因子
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DIAMOND AND RELATED MATERIALS · 2023 · IF 4.1

Double emission CDs modified with rhodamine B for ratiometric sensing detection and bioimaging

Xiaoxiao Gao,Yan Zhang,Zheng Fu,Jiashuo Tian,Liuping Zhang,Wanqiong Li,Shuailiang Li,Fengling Cui

In this paper, rhodamine B (RhB) was modified on carbon dots (CDs) by hydrothermal method , and a double emission ratiometric fluorescent probe (RhB-CDs) with red luminescence was successfully constructed. The synthesized RhB-CDs had exceptional optical properties and exhibit two emission peaks (480 nm and 590 nm) at 350 nm excitation. It could be used for ratiometric detection of MnO 4 − and Cr 2 O 7 2− , and the fluorescent color would also change (red to orange) when the pH changed from 6 to 7, showing great application potential in the field of sensing and detection. Moreover, the ratio of the emission peak fluorescence intensity had a linear relationship with the water content of alcohols, which was successfully used to detect actual water samples. In addition, the synthesized RhB-CDs had low cytotoxicity and were successfully used for multicolor cell imaging .

研究领域: 分析化学 · 生物医学 · 材料科学
✓ 已验证 DOI 高影响因子
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LAB ON A CHIP · 2019 ·Vol. 19 ·期 14 ·2383-2393 · IF 6.914

Multi-chamber petaloid root-growth chip for the non-destructive study of the development and physiology of the fibrous root system of Oryza sativa

Hui Hui Chai,Feng Chen,Shu Jie Zhang,Ya Dan Li,Zhi Song Lu,Yue Jun Kang,Ling Yu

The root system of plants is a major component of their bodies in terms of both function and bulk. The investigation of root system development is greatly assisted by microfluidic devices, which improve the spatial and temporal resolution of observations without destroying tissue. In the present study, a multi-chamber petaloid root-growth chip was developed for studying the development and physiology of root systems that have thin branching structures (i.e., fibrous root systems). The petaloid root-growth chip includes a central seed germination chamber and five root-growth chambers for observing the development of fibrous roots. The proposed device was applied for investigating the root system development of Oryza sativa. The phenotype and growth kinetics of O. sativa root systems grown in the proposed device were compared with those obtained during growth in a conventional conical flask with agar-based medium, and the results indicated that cultivation in the miniaturized device did not delay root system growth in the early stage (≤2 weeks). In addition, the transparent device enabled the non-destructive observation of the developmental and microstructural characteristics of the roots, such as the root caps, root border cells, and root hairs. Moreover, the ability to control the microenvironment in each of the five root-growth chambers individually facilitated the investigation of specific adaptations in the fibrous root growth of single O. sativa seedlings to different drought stresses. Accordingly, five polyethylene glycol (PEG)6000-induced drought stress conditions were established in the five root-growth chambers to investigate the root development of a single O. sativa seedling in the central germination chamber. In situ observations demonstrated that the different PEG6000-induced conditions affected the root growth responses and root microstructural adaptations of the single seedlings in each root-growth chamber. Therefore, the petaloid root-growth microfluidic chip can eliminate the effects of variations in different plant seeds to reveal the responses of plants to different environmental conditions more objectively while concurrently allowing for non-destructive observations at very high spatial and temporal resolution.

研究领域: 植物学 · 农学 · 分子生物学
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