SENSORS AND ACTUATORS B-CHEMICAL
·
2025
·
IF 7.7
Xiaojing Chen,Quan Tao,Siwei Yang,Hang Wang,Xuelian Wang,Guqiao Ding,Xiumin Gao,Hui Dong,Liangliang Rong
Aging allows the occurrence and progression of cerebrovascular diseases, highlighting the importance of detecting senescent cells and tissues in the nervous system. Detecting senescent cells/tissues using nanoparticles as probes in the nervous system is desired with high sensitivity, high accuracy, and penetration of the blood-brain barrier. In response, we designed crown ether-based graphene quantum dots with fast proton transport channels to sense potassium ions, a significant differential indicator between healthy and senescent cells. Using the probe, we have achieved MRI-fluorescence dual-functional monitoring of potassium ion concentration in cells via fluorescent intensity and magnetic relaxation time. Importantly, we have further demonstrated the advantages of the crown ether-based graphene quantum dots in penetrating the blood-brain barrier, revealing their potential for diagnosing aging in the nervous system.
研究领域:
神经生物学
·
医学影像学
·
材料科学
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Journal of the American Chemical Society
·
2026
·
IF 15.6
Guolong Sun,Yijin Chen,Xiaoli Xia,Yiwen Wang,Jiejun Zeng,Jie Zhu,Lina Gao,Luming Peng,Linjun Wang,Xueqian Kong,Yizheng Jin
The surface hydrogen species of zinc oxide (ZnO) nanocrystals, including hydroxyl groups and water, play critical roles in determining their chemical reactivity, colloidal stability, and optoelectronic properties. However, direct structural identification of these surface species remains challenging due to their complex nature and surface disorder of the nanocrystals. Here, we present a comprehensive analysis of surface functionalities on sol–gel synthesized ZnO nanocrystals using advanced multinuclear and multidimensional solid-state nuclear magnetic resonance (NMR) spectroscopy, combined with density functional theory (DFT) theoretical calculations. By employing 1H, 7Li, 13C, 17O, and 31P NMR, alongside the use of deuterated precursors, 17O isotope labeling, probe molecules, defect analysis, and electron paramagnetic resonance (EPR) spectroscopy, we resolve and assign eight distinct hydrogen species, including acetate and lithium acetate ligands, chemisorbed and physisorbed water, terminal hydroxyls (OHT), tribridged hydroxyls (μ3-OH), and defect-associated hydroxyls. Furthermore, 1H–1H homonuclear correlation SSNMR experiments elucidate the crystal facet selectivity and spatial interactions of these surface hydrogen species. Our study establishes an in-depth understanding of the rich surface hydrogen landscape on ZnO nanocrystals and offers a framework for the rational design and functional tuning of ZnO-based nanomaterials.
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高影响因子
ANALYTICA CHIMICA ACTA
·
2019
·
IF 5.256
Hui Ma,Christian Marcus Pedersen,Qi Zhao,Zexiang Lyu,Hui Chang,Yan Qiao,Xianglin Hou,Yingxiong Wang
The Fischer–Tropsch (FT) process is a practical approach to convert synthesis gas (CO and H 2 ) into hydrocarbons and oxygenates, and these product mixtures are usually well-characterized. However, the analysis of Fischer–Tropsch waste water (FTW) is still somewhat underdeveloped and the exact composition of FTW remains unclear. Herein, various qualitative NMR techniques, especially diffusion-ordered spectroscopy (DOSY) and one dimension (1D) selective gradient total correlation spectroscopy (SelTOCSY) were strategically applied in the analysis of FTW. The NMR results show that the DOSY technique can pseudo-separate most of components in complex mixtures over the diffusion dimension. The SelTOCSY technique is used as a supporting method in the cases where the DOSY technique cannot clearly distinguish overlapped signals. Moreover, the quantitative 1 H NMR (qNMR) was further used to quantify the components of the sample. These routine and advanced qualitative and quantitative NMR technique utilized here provide a fast, effective and feasible method for the identification of complex mixtures in FTW, which might be a powerful and fast alternative to gas chromatography or high performance liquid chromatography for FTW research.
研究领域:
化学
·
环境科学
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PubMed
高影响因子
Molecular Catalysis
·
2019
·
IF 2.938
Xiaojia Yu,Ying Liu,Hui Wang,Weiguo Cheng,Youqing Wu,Suojiang Zhang
Brøsted acidic pyridinium-based ILs of [NS][CF 3 SO 3 ] and [NS][HSO 4 ] have been synthesized for oligomerization of isobutene with the excellent conversion of 92.8% and the good selective dimerization at the temperature of below 100 °C. Hydroxyl-containing materials, especially ethanol, could facilitate catalytic activities to excellent conversions of isobutene and 84.2% selectivity of diisobutene. [NS][CF 3 SO 3 ] could be recovered by a simple liquid-to-liquid separation and reused more than ten times without obvious loss of catalytic activities. The formation process of oligomers has been examined by in-situ NMR spectroscopy, and a step-by-step generation process of carbonium ions varying from C 4 + , C 8 + to C 12 + was proposed. The work behaves the significance of constructing a better catalysis system for highly selective dimerization of isobutene, and potential being scaled-up for industrialization.
研究领域:
催化化学
·
材料科学
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ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
·
2016
·Vol. 23
·期 9
·8500-8507
·
IF 2.76
Wang Dezhen,Zhang Ping,Wang Xinru,Wang Yao,Zhou Zhiqiang,Zhu Wentao
In the present study, both untargeted and targeted metabolomics approaches were used to evaluate the subacute effects of hexabromocyclododecane (HBCD) on mice urine metabolome. Untargeted metabolomics based on 1 H NMR showed that HBCD exposure disturbed mice metabolism in both dosed groups, especially in high dosed group. The low-dose HBCD led to a decrease in alanine, malonic acid, and trimethylamine (TMA). High-dose HBCD-treated mice developed high levels of citric acid and 2-ketoglutarate, together with decreased alanine, acetate, formate, TMA, 3-hydroxybutyrate, and malonic acid. Targeted metabolomics for metabolic profiling of 20 amino acids identified alanine, lysine, and phenylalanine as significantly disturbed metabolites. These results indicated that subchronic exposure to HBCD caused a disturbance of mice metabolism, especially in TCA cycle, lipid metabolism, gut microbial metabolism, and homeostasis of amino acids, and the application of untargeted and targeted metabolomics combined with conventional toxicology approaches to evaluate the subacute effects of pollutants will provide more comprehensive information and aid in predicting health risk of these pollutants.
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高影响因子
JOURNAL OF FOOD PROCESS ENGINEERING
·
2023
·Vol. 46
·期 11
·e14430
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IF 3
Jialu Wang,Yushuang Lu,Yishu Ni,Lin Zhu,Sheng Fang
In this study, thermosonic sterilization (TS), ultrasonic sterilization (US), and heat sterilization at 60°C, 80°C, and 90°C were used for the bactericidal treatment of black carrot juice. The processed samples were analyzed in terms of physicochemical, biological activity, microbial, and metabolomics approaches. The main differential metabolites were identified after treatment. Among these, the content of the important chemical component anthocyanins increased by 10.64% and 6.82% in TS and US, respectively. The TS treatment showed better retention of most of the active substances such as carbohydrates, malic acid, alanine, sterols, lutein, and terpenes compared to the other treatments. Furthermore, the TS treatment reduced the ultrasonic power and time for inactivating microorganisms and increased the DPPH radical scavenging activity by 11.31% compared to the control. The experimental results showed that the black carrot juice after TS treatment with 60% ultrasonic power at 60°C for 5 min sterilization was more favorable for the retention of nutrients and volatiles, improving the quality, safety, and economic potential of black carrot juice. Practical applications This work for the first-time applied TS to black carrot juice. The effect of TS treatment on the quality of black carrot juice was studied and compared with ultrasonic and conventional heat treatment by metabolomics approach. TS could significantly reduce US treatment time from 25 min (20°C) to 5 min (60°C) for the sterilization of juice. TS has a better effect on the retention of nutrients and flavor substances in the juice. The study is beneficial to the application of TS in purple carrot juice sterilization, also the application of 1 H-NMR and GC–MS metabolomics approach in food processing.
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MACROMOLECULES
·
2023
·
IF 5.5
Xu Chen,Changzhu Lv,Yahui Li,Zishuo Wu,Renkuan Cao,Weihang Fei,Jin Lv,Wei Chen
The complicated chemical structure of poly(vinyl butyral) (PVB) as well as its acetalization mechanism was unveiled by multidimensional NMR with the assistance of the 13C labeling. The isotope enrichment significantly suppresses the NMR signal from the side groups, which enables us to precisely determine the sequence distribution of various monomers, i.e., vinyl butyral (VB) and vinyl alcohol (VA), along the PVB backbone. The primary, secondary, and tertiary carbons were directly identified by NMR spectral editing through 13C distortionless enhancement by polarization transfer (DEPT) NMR experiments. Various 2D-NMR experiments, including COSY, NOESY, HMQC, and INADEQUATE, were adopted to establish homo- and heteronuclear coupling through either chemical bond or space correlation. Because only the PVB backbone is 13C-enriched, all 1H and 13C NMR spectra provided unprecedented resolved information on various sequence information. In total, 13 13C and 18 1H resolved NMR peaks are assigned. Based on the accomplished 13C NMR peak assignment and quantitative 13C NMR of PVB with different acetalization degrees as well as numerical modeling, a possible acetalization reaction mechanism is proposed.
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PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY
·
2022
·
IF 4.966
Xin Bao,Wangjin Xu,Jiajia Cui,Zixin Yan,Jianjun Wang,Xiaojun Chen,Zhiyuan Meng
Prothioconazole (PTC) is a widely used agricultural fungicide . In recent years, studies have confirmed that it exerts adverse effects on various species, including aquatic organisms , mammals, and reptiles. However, the toxicological effects of PTC on soil organisms are poorly understood. Here, we investigated the toxic effects, via oxidative stress and metabolic responses, of PTC on earthworms ( Eisenia fetida ). PTC exposure can induce significant changes in oxidative stress indicators, including the activities of superoxide dismutase (SOD) and catalase (CAT) and the content of glutathione (GSH), which in turn affect the oxidative defense system of earthworms. In addition, metabolomics revealed that PTC exposure caused significant changes in the metabolic profiles of earthworms. The relative abundances of 16 and 21 metabolites involved in amino acids , intermediates of the tricarboxylic acid (TCA) cycle and energy metabolism were significantly altered after 7 and 14 days of PTC exposure, respectively. Particularly, Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis showed that multiple different metabolic pathways could be disturbed after 7 and 14 days of PTC exposure. Importantly, these alterations in oxidative stress and metabolic responses in earthworms reveal that the effects of PTC on earthworms were time dependent, and vary with exposure time. In conclusion, this study highlights that the effects of PTC on soil organisms are of serious concern.
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Soft Matter
·
2021
·Vol. 17
·期 39
·8973-8981
·
IF 3.679
Yahui Li,Junsheng Yang,Hong Cheng,Linkun Cai,Ke Ye,Zhijie Xia,Qianlei Zhang,Daoliang Wang,Wei Chen
The network structure in the amorphous domain of swollen iodine-doped poly(vinyl alcohol) (PVA) was systematically investigated by low-field (LF) NMR techniques to reveal the PVA–iodine complex formation mechanism. Three PVA–iodine complexes were obtained under different iodine concentrations (ciodine) of KI/I2 solution: (i) ciodine < 0.1 M: PVA–I3−/I5− complex only exists in the non-crystalline region, (ii) 0.1 M < ciodine < 1 M: formation of PVA–I3− complex I, and (iii) ciodine > 1 M: formation of PVA–I3− complex II. It was found that there is no intermediate-magnitude chain motion of PVA under dyeing conditions to induce the substance exchange, as evidenced by the unchanged second moment M2 (∼1.2 × 104 m s−2) at elevated temperature (<380 K). The introduction of iodine ions can affect the chain mobility of the interphase and mobile regions. With increasing ciodine, the chain dynamics become more restricted, as detected by the faster decay of the T2 relaxometry results, which further accelerates the complexation process. The residual dipolar coupling strength, Dres, obtained by the more quantitative double-quantum (DQ) NMR, increases abruptly at ciodine > 1 M. This suggests more constraints form in the amorphous network for the PVA–I3− complex II system. The constant defects fraction further reveals that the complexation prefers to happen along the tie chains. These results supply a possible formation pathway for the PVA–iodine complexes.
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PHYSICAL CHEMISTRY CHEMICAL PHYSICS
·
2020
·Vol. 22
·期 44
·25760-25768
·
IF 3.43
Yaqing Wang,Wenjun Chen,Qi Zhao,Guizhen Jin,Zhimin Xue,Yingxiong Wang,Tiancheng Mu
Deep eutectic solvents (DESs) have attracted considerable attention due to their unique properties. Owing to similar structures and properties, DESs are also called “quasi-ionic liquids” or “ionic liquid analogous”. However, for a deeper understanding and application of DESs, a comprehensive investigation on the ionicity of DESs is crucial. In this work, the effects of the structure and components of typical DESs on the ionicity were investigated. Moreover, the ionicity was discussed by using Walden plot, and the validity of applying it to DESs was verified using pulsed field gradient nuclear magnetic resonance (PFG-NMR). We found that the lack of free charged species and high viscosities make it difficult to achieve optimal conductivities for DESs, and thus most of them exhibit “poor ionic” nature. Fortunately, with an in-depth understanding of its microstructure and physicochemical properties, the properties of DESs can be finely tailored by selecting or even designing suitable parent compounds for functional applications. In particular, the ionicity of Li-based DESs was investigated for their potential application as electrolytes in Li-ion batteries.
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Green Processing and Synthesis
·
2020
·Vol. 9
·期 1
·650-663
·
IF 1.672
Wanwan Wang,Jibao Cai,Zhenyu Xu,Yi Zhang,Fanchao Niu,Miao Gao,Jun Yang
A method was developed for rapid qualitative determination of lignocellulose in the tobacco cell wall by utilizing 2D heteronuclear single quantum coherence NMR spectra (2D HSQC NMR). Traditional methods for analyzing the structure of lignocellulose involve many steps of separation and extraction, which is labor-intensive. In this work, the whole cell wall was milled and dissolved in deuterium solvent. The solvent dimethylsulfoxide (DMSO-d 6 ) containing hexamethylphosphoramide (HMPA-d 18 ) enhanced swelling of the sample and gave high-resolution spectra. The tobacco samples are ball milled at different ball milling times, and the state of the particles is observed through an electron microscope, and then the probability of the particles being less than 5 µm is counted. Through the comparison of the abundance and integration of the peak signals in the spectra under different transmittances, it was determined that when the milling time was 6 h, the quality of the NMR spectra was the best. The optimum conditions of characterizing tobacco structure were DMSO-d 6 /HMPA-d 18 solution and 6 h milling time. Under these conditions, complete representation of the structure of lignocellulose and simplified process could be achieved. Graphical abstract
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ANALYTICA CHIMICA ACTA
·
2020
·
IF 5.977
Qi Zhao,Yu Liu,Hui Ma,Yan Qiao,Jianbin Chao,Xianglin Hou,Yuqi Wang,Yingxiong Wang
Fischer-Tropsch (F-T) process is an important synthesis route to acquire clean liquid fuels through modern coal chemical industry, which converts syngas (CO and H 2 ) into hydrocarbon, and also generates oxygenates discharged as the F-T waste-water. These oxygen-containing compounds in F-T waste-water have the similar molecular weight and some are even isomers of each other. Hence, it is necessary to develop rapid and efficient analysis tools to obtain identification and quantitative information of the F-T waste-water. The pure shift NMR techniques provided only chemical shift information in one-dimension 1 H NMR spectra , without homonuclear J H-H coupling. In this work, we tested and compared three pure shift NMR techniques (including Zangger-Sterk, PSYCHE and TSE-PSYCHE methods) in the analysis of two F-T waste-water model mixtures, genuine waste-water and two alcohol isomer mixtures. The results show that J H-H coupling multiplicities are collapsed into singlets corresponding to individual chemically distinct protons of the compound. For some severely overlapped signals in the pure shift NMR spectra , the chemical shift selective filters with TOCSY (CSSF-TOCSY) experiments were conducted to assist the signal assignment. Thus, pure shift NMR approaches can identify most signals of components, and CSSF-TOCSY can extract the signal of a specific compound. The combination of these two NMR techniques offers a powerful tool to analyze the F-T waste-water or other complex mixtures including isomer mixtures.
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