ANALYTICAL CHEMISTRY
·
2026
·
IF 7.3
Xiuqing Zheng,Jianna Yu,Mengting Huang,Jiaxu Liu,Jiaxing Li,Peixuan Huang,Lu Cheng,Binwang Yang,Haoran Huang,Zhuyue Peng,Wenjie Liu
Gas chromatography–ion mobility spectrometry has been recognized as a rapid, sensitive, portable approach at low cost in food safety analysis, environmental monitoring, and security screening. However, the peak identification remains a major challenge due to the lack of sufficiently comprehensive reference databases. This study successfully developed and validated an integrated gas chromatography–ion mobility spectrometry/mass spectrometry (GC-IMS/MS) platform incorporating Fourier deconvolution (FD) technology and a pinhole IMS-MS interface, aiming to resolve the limitations of low ion utilization efficiency and detector sensitivity imbalance in conventional GC-IMS/MS systems. The implementation of FD multiplexing increased the ion gate duty cycle from <0.4% in conventional beam chopping ion gates to 50%, while a unique interface design substantially enhanced ion transmission efficiency to the mass spectrometer. Experimental results confirmed precise synchronization between IMS drift peaks and MS spectral data for six target volatile organic compounds (ethyl caproate, methyl heptenone, linalool, citronellyl acetate, l (−)-carvone, and nerol) at identical retention times, with an average ion transmission enhancement exceeding 110-fold. The platform also demonstrated satisfactory quantitative performance, with all target compounds exhibiting linearity (R2 > 0.995) across concentration ranges spanning 3 orders of magnitude and achieving detection limits at the ng/mL level. Three complex extracts including tobacco, Da Hong Pao tea, and apricot flavoring were investigated to evaluate the performance of the developed system, and it was demonstrated that the developed system exhibited precise compound identification and high-throughput nontargeted screening capabilities.
✓ 已验证
产品关联
DOI
PubMed
高影响因子
ANALYTICAL CHEMISTRY
·
2026
·
IF 6.7
Xue Yang,Yao Pan,NaiSheng Wu,Huiqing Ding,Fangling Wu,Li Ding,Chuan-Fan Ding
The precise analysis of chiral drugs is crucial for elucidating their stereoselective pharmacological effects. As a commonly used fluoroquinolone antibiotic, ofloxacin (OFLX) exhibits different pharmacodynamics between its R- and S-OFLX, highlighting the need for efficient chiral analysis methods. This study developed a strategy based on trapped ion mobility spectrometry-mass spectrometry (TIMS-MS) and noncovalent complex formation for the rapid separation and quantification of ofloxacin enantiomers. Vancomycin and gentamicin C1a were selected as chiral selectors to form binary noncovalent complexes with the target enantiomers. TIMS analysis demonstrated that the complexes formed between R-/S-OFLX and both chiral selectors achieved baseline separation, with peak-to-peak resolution values of 1.94 and 3.34, respectively. To clarify the structural basis of chiral recognition, density functional theory calculations and the independent gradient model were employed, revealing key stereospecific weak interactions within the complexes, thereby providing critical atomic-level insight into the differential migration behavior observed in TIMS experiments at the molecular level. Based on these findings, both relative and absolute quantification methods for the enantiomers were established, both demonstrating excellent linearity and high sensitivity. Finally, the method was successfully applied to determine ofloxacin in artificial urine samples, achieving recoveries of no less than 70.60%, confirming its applicability in complex real-world matrices. This derivatization-free approach provides a robust and efficient solution for the rapid analysis of chiral drugs.
✓ 已验证
产品关联
DOI
PubMed
高影响因子
TALANTA
·
2020
·
IF 5.339
Chengyi Xie,Qidi Wu,Shulei Zhang,Chenlu Wang,Wenqing Gao,Jiancheng Yu,Keqi Tang
Glycosylated proteins are an essential class of molecules playing critical roles in complex biological systems. Understanding their biological functions remains extremely difficult due to the extremely broad compositions and structure variations of glycans . Although the combination of ion mobility spectrometry and mass spectrometry (IMS-MS) has become a promising technique in glycan structure characterization and composition identification, the insufficient resolving power of most IMS-MS instruments has limited its utility in performing the comprehensive structure characterization of glycans. To mitigate the low IMS resolving power, metal ion incorporation has been employed to enhance the separation of isomeric glycans. Here, we present a systematic investigation of many different glycan-metal ion complexes in an attempt to optimize the IMS separation of different isomeric glycans. By selecting optimum glycan-metal ion complexes, partial IMS separation was realized for all the 21 isomeric glycan pairs used in the experimental study. Baseline IMS separation was achieved for 76% of these isomeric glycan pairs. The best IMS separation of isomeric glycans was achieved in some cases by incorporating multiple ions with a glycan, such as the complex [glycan + Ca + Cl] + . In addition, the well-known IMS-MS measurement trendlines, often used to identify specific compound classes, were preserved for glycans even for all the 270 glycan-metal ion complexes observed in IMS-MS spectra.
研究领域:
分析化学
·
生物化学
·
质谱
·
蛋白质组学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）