Materials Chemistry Frontiers
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2018
·Vol. 2
·期 6
·1201-1206
·
IF 0
Jie Hu,Kai Cheng,Qiong Wu,Dashuang Ding,Conggang Li,Zhen Li
In this study, a dual-channel probe of FlE based on flavonoid derivatives is reported, which can yield “turn-on” signals of both fluorometry and 19F nuclear magnetic resonance in response to the presence of esterase. Upon the addition of esterase, FlE could convert into Fl, possessing the ESIPT effect. As a result, the fluorescence intensity was significantly enhanced and peaked at 510 nm, accompanying a change in the fluorescence of solution from nonluminous to strong green. Moreover, as determined by 19F NMR, the signal could apparently shift from δF −111.57 to −111.69 ppm. Due to the combination of these two detection approaches having good sensitivity, high selectivity, and real-time detection, FlE has been successfully applied to confocal fluorescence imaging for the detection of esterase in cells, which consistent with the 19F NMR test results in some sense.
研究领域:
生物化学
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分析化学
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细胞生物学
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CRYSTAL GROWTH & DESIGN
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2025
·
IF 3.4
Mengyang Cai,Pengpeng Yang,Jinqiu Fu,Guiyu Chen,Keke Zhang
In this study, 19F solid-state nuclear magnetic resonance (ss-NMR) was applied to explore the effect of pore surface chemical environment on the molecular assembly of celecoxib. Celecoxib, which is hydrophobic, was encapsulated in mesoporous silica modified with different functional groups via the melt-cooling method. The results indicated that mesoporous silica modified with the different functional groups could enhance and regulate the dissolution rate of celecoxib. The 19F NMR results demonstrated that celecoxib molecules prefer to assemble into liquid-like molecular layers, when confined in the pores modified with hydrophilic functional groups. In contrast, celecoxib molecules embedded in mesoporous silica materials modified with hydrophobic functional groups tend to aggregate in the pore center, forming central amorphous plugs. When different functional groups are modified within the pores, the varying interactions with celecoxib result in different proportions of molecular aggregation states within the pores. Besides that, the dissolution performance of confined celecoxib molecules was determined by the molecular aggregation in the pores. This work uncovers the relationship between surface chemistry and molecular aggregation, which is fundamental to designing porous materials for drug release.
研究领域:
药剂学
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材料科学
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物理化学
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核磁共振（NMR）光谱学
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高影响因子
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
·
2019
·Vol. 411
·期 19
·4929-4935
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IF 3.286
Cheng Kai,Wu Qiong,Jiang Ling,Liu Maili,Li Conggang
Ionic liquids have been extensively used as environmentally friendly solvents for enzymatic reactions and other biological systems. Understanding the mechanism of how ionic liquids affect protein stability is crucial for the biological reaction processes and protein storage using ionic liquids as solvents. Although effects of ionic liquids on protein stability have been studied, equilibrium thermodynamics of protein stability in ionic liquids has not been quantitatively measured. Herein, we utilized 19 F NMR to measure the equilibrium thermodynamics of protein stability in ionic liquid [C 4 -mim]Br. Our results show that proteins are significantly destabilized in [C 4 -mim]Br ionic liquids. Our results suggest that 19 F NMR provides a simple and effective way to study the thermodynamics of protein stability in ionic liquids. 19 F NMR will be applicable to facilitate the protein–protein interaction study in ionic liquids.
Graphical abstract
研究领域:
生物化学
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分子生物学
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PubMed
高影响因子
ANALYTICA CHIMICA ACTA
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2022
·
IF 6.911
Biling Huang,Lihua Xu,Jianxi Ying,Yufen Zhao,Shaohua Huang
Chiral carboxylic acids are ubiquitous in nature and are of pivotal importance in practical applications in the field of food science and pharmaceuticals. Simultaneous enantiomeric analysis of carboxylic acids mixtures is a significant research goal. Herein, we demonstrate a new strategy involving the use of the highly selective chiral derivatizing agent ( R )-2-amino-1,1,1-trifluoropropane (( R )-TFPA) for the enantiomeric discrimination and selective identification of carboxylic acids in mixtures, even structurally similar drugs. The key success of this sensing approach lies in the distinguishable 19 F NMR signals of diastereoisomers formed via derivatization of the substrates by ( R )-TFPA. The utility of this approach was demonstrated by simultaneously differentiating 20 chiral carboxylic acids in a complicated mixture with accurate determination of the enantiomeric excess ( ee ). Most importantly, our approach can be applied to food analysis, where the diverse carboxylic acids in real samples without separation were unambiguously identified, such as vinegar , yogurt, and grape.
研究领域:
食品科学
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药物化学
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分析化学
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PubMed
高影响因子
ANALYTICAL CHEMISTRY
·
2022
·
IF 8.008
Xu-Dong Gao,Yue Hu,Wei-Feng Wang,Xiao-Bo Zhao,Xin-Zhen Du,Yan-Ping Shi
Ribose plays an important role in the process of life. Excessive ribose in the human cerebrospinal fluid or urine can be used as an early diagnostic marker of leukoencephalopathy. Fluorinated phenylboronic acid combined with 19F NMR spectroscopy was a powerful method for molecular recognition. However, phenylboronic acid-based sensors for selective detection of ribose are rarely reported in the literature. In this study, the rapid and highly selective recognition of ribose was studied by 19F NMR and 2-fluorophenylboric acid. It was found that 2-fluoro-phenylboric acid was an appropriate 19F NMR-based sensor molecule for the determination of ribose under physiological conditions with high selectivity and robust anti-interference ability. When 2-fluorophenylboric acid was used for the detection of ribose in human urine without any sample pretreatment, a limit of detection of 78 μM was obtained at room temperature under given 19F NMR experimental conditions (400 MHz, 512 scans, ca. 12 min), which can well meet the needs of practical application.
研究领域:
分析化学
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生物化学
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医学诊断
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PubMed
高影响因子
ORGANIC & BIOMOLECULAR CHEMISTRY
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2024
·
IF 2.9
Ting Jiang,Qian Zhou,Kang-Kang Yu,Shan-Yong Chen,Kun Li
N
6
-Methyladenosine (6mA) is a well-known prokaryotic DNA modification that has been shown to play epigenetic roles in eukaryotic DNA. Accurate detection and quantification of 6mA are prerequisites for molecular understanding of the impact of 6mA modification on DNA. However, the existing methods have several problems, such as high false-positive rate, time-consuming and complex operating procedures. Chemical sensors for the selective detection of 6mA modification are rarely reported in the literature. Fluorinated phenylboronic acid combined with 19F NMR analysis is an effective method for determining DNA or RNA modification. In this study, we presented a simple and fast chemical method for labelling the 6th imino group of 6mA using a boric-acid-derived probe. Besides, the trifluoromethyl group of trifluoromethyl phenylboronic acid (2a) could detect 6mA modification through 19F NMR. Combined with this sensor system, 6mA modification could be detected well and quickly in 6 types of deoxynucleoside mixtures and DNA samples. Taken together, the method developed in the current study has potential for specific detection of 6mA in biological samples.
研究领域:
生物化学
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分子生物学
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分析化学
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PubMed
高影响因子
ANALYTICAL CHEMISTRY
·
2025
·
IF 6.7
Shuyi Lu,Qian Wu,Shanshan Wang,Dongru Sun,Yan Liu,Shaohua Huang,Biling Huang
19F-labeled molecular probes offer significant advantages in chiral analysis, with their stereostructures playing a critical role in enantiodiscrimination. Rapid and accurate assignment of absolute configurations is particularly important for the pharmaceutical field and asymmetric synthesis. This work presents a comparative evaluation of two 19F-labeled probes as CDAs: aromatic P1 ((S)-1-(2-fluorophenyl)ethylamine) and aliphatic P2 (trans-2-fluorocyclohexanamine), focusing on their enantiomeric recognition of chiral carboxylic acids. The results demonstrate that P1 outperformed P2, particularly in analyzing carboxylic acids with chiral centers positioned several carbons away from the carboxyl group or possessing multiple chiral centers. Density functional theory calculations elucidated the underlying mechanisms, revealing that P1’s great recognition efficiency arises from a larger energy difference between diastereomers and the formation of hydrogen bonds between its fluorine atom and the analytes’ protons. These findings emphasize the importance of probe–analyte interactions in CDA-based enantiorecognition systems for achieving high-resolution discrimination. Moreover, P1 exhibited practical applications in determining ee values and analyzing various brands of ibuprofen capsules and tablets, highlighting its potential for pharmaceutical quality control. Furthermore, we introduced a novel online platform combining a P1-guided 19F NMR approach with machine learning for automated prediction of absolute configurations. This work sheds light on the differences between aromatic and aliphatic probes in enantiorecognition, while introducing an online predictive tool, in favor of the design of 19F molecular probes and the rapid assignment of absolute configurations.
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ANALYTICAL CHEMISTRY
·
2024
·
IF 6.7
Xijian Wu,Xin Tong,Biling Huang,Shaohua Huang
Rapid detection of amines in complex mixtures presents a significant challenge. Here, we introduce a novel nuclear magnetic resonance (NMR) method for amine detection utilizing a probe with two fluorine atoms in distinct chemical environments. Upon interaction with an amine, the probe generates two atomic resonance peaks, which are used to create coordinates, revealing fluorine chemical shifts on the 19F NMR spectroscopy. This innovative approach allows for the clear distinction of amine signals in a two-dimensional plane. This method has been effectively employed in analyzing amines in pharmaceuticals and amino acids in Ophiopogon japonicus and dry white wine, providing a robust and general approach for amine analysis.
研究领域:
分析化学
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药物分析
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核磁共振波谱学
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高影响因子
JOURNAL OF NANOPARTICLE RESEARCH
·
2020
·Vol. 22
·期 11
·1-9
·
IF 2.132
Gao Wenshan,Zhang Yuangong,Zheng Ying,Zhang Hailei,Wang Xiaoke,Bai Libin,Wu Yonggang,Ba Xinwu
The 19 F nuclear magnetic resonance (NMR) has been widely employed as a detection tool in biological studies due to its low biological background, noninvasiveness, high sensitivity, and real-time monitoring capability. Herein, we report a one-pot synthesis of halloysite nanotubes (HNTs) treated with benzeneboronic acids (6FBB) to afford the HNT-based 19 F NMR probe which is capable to detect the H 2 O 2 in low concentration. The product was well characterized by nuclear magnetic resonance (NMR), Fourier transform infrared spectroscopy (FTIR), transmission electron microscope (TEM), X-ray photoelectron spectroscopy (XPS), and X-ray diffraction (XRD). The intensity of signals of 19 F was enhanced with the increasing concentration of fluorine, and the signals apparently shifted from − 62.68 to − 62.85 ppm upon the addition of H 2 O 2 . The obtained 19 F NMR probes also displayed a long spin-spin (T2) relaxation time (91.27 ms), which can strengthen image intensity. Moreover, the 19 F NMR probe exhibited non-toxic against HeLa cell. The 19 F NMR probe may serve as a desirable candidate to predict the change of H 2 O 2 in vivo.
研究领域:
生物化学
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医学影像学
·
材料科学
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高影响因子
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