Targeted screening and profiling of massive components of colistimethate sodium by two-dimensional-liquid chromatography-mass spectrometry based on self-constructed compound database
In-depth study of the components of polymyxins is the key to controlling the quality of this class of antibiotics. Similarities and variations of components present significant analytical challenges. A two-dimensional (2D) liquid chromatography-mass spectrometr (LC-MS) method was established for scr...
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Elsevier
2025-02-01
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| Series: | Journal of Pharmaceutical Analysis |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2095177924001692 |
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| author | Xuan Li Minwen Huang Yue-Mei Zhao Wenxin Liu Nan Hu Jie Zhou Zi-Yi Wang Sheng Tang Jian-Bin Pan Hian Kee Lee Yao-zuo Yuan Taijun Hang Hai-Wei Shi Hongyuan Chen |
| author_facet | Xuan Li Minwen Huang Yue-Mei Zhao Wenxin Liu Nan Hu Jie Zhou Zi-Yi Wang Sheng Tang Jian-Bin Pan Hian Kee Lee Yao-zuo Yuan Taijun Hang Hai-Wei Shi Hongyuan Chen |
| author_sort | Xuan Li |
| collection | DOAJ |
| description | In-depth study of the components of polymyxins is the key to controlling the quality of this class of antibiotics. Similarities and variations of components present significant analytical challenges. A two-dimensional (2D) liquid chromatography-mass spectrometr (LC-MS) method was established for screening and comprehensive profiling of compositions of the antibiotic colistimethate sodium (CMS). A high concentration of phosphate buffer mobile phase was used in the first-dimensional LC system to get the components well separated. For efficient and high-accuracy screening of CMS, a targeted method based on a self-constructed high resolution (HR) mass spectrum database of CMS components was established. The database was built based on the commercial MassHunter Personal Compound Database and Library (PCDL) software and its accuracy of the compound matching result was verified with six known components before being applied to genuine sample screening. On this basis, the unknown peaks in the CMS chromatograms were deduced and assigned. The molecular formula, group composition, and origins of a total of 99 compounds, of which the combined area percentage accounted for more than 95% of CMS components, were deduced by this 2D-LC-MS method combined with the MassHunter PCDL. This profiling method was highly efficient and could distinguish hundreds of components within 3 h, providing reliable results for quality control of this kind of complex drugs. |
| format | Article |
| id | doaj-art-d566b135fc1c4e48966bc838e6e67f7a |
| institution | Kabale University |
| issn | 2095-1779 |
| language | English |
| publishDate | 2025-02-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Journal of Pharmaceutical Analysis |
| spelling | doaj-art-d566b135fc1c4e48966bc838e6e67f7a2025-01-31T05:11:13ZengElsevierJournal of Pharmaceutical Analysis2095-17792025-02-01152101072Targeted screening and profiling of massive components of colistimethate sodium by two-dimensional-liquid chromatography-mass spectrometry based on self-constructed compound databaseXuan Li0Minwen Huang1Yue-Mei Zhao2Wenxin Liu3Nan Hu4Jie Zhou5Zi-Yi Wang6Sheng Tang7Jian-Bin Pan8Hian Kee Lee9Yao-zuo Yuan10Taijun Hang11Hai-Wei Shi12Hongyuan Chen13Jiangsu Institute for Food and Drug Control, Nanjing, 210019, China; School of Pharmacy, China Pharmaceutical University, Nanjing, 211112, ChinaJiangsu Institute for Food and Drug Control, Nanjing, 210019, China; National Medical Products Administration Key Laboratory for Impurity Profile of Chemical Drugs, Nanjing, 210019, ChinaJiangsu Institute for Food and Drug Control, Nanjing, 210019, China; School of Pharmacy, Nanjing University of Chinese Medicine, Nanjing, 210046, ChinaJiangsu Institute for Food and Drug Control, Nanjing, 210019, ChinaAgilent Technologies Inc., Beijing, 100102, ChinaJiangsu Zhengda Tianqing Pharmaceutical Group Co., Ltd., Lianyungang, Jiangsu, 222006, ChinaSchool of Pharmacy, China Pharmaceutical University, Nanjing, 211112, ChinaSchool of Environmental and Chemical Engineering, Jiangsu University of Science and Technology, Zhenjiang, Jiangsu, 212003, ChinaSchool of Chemistry and Chemical Engineering, Nanjing University, Nanjing, 210046, China; Corresponding author.School of Environmental and Chemical Engineering, Jiangsu University of Science and Technology, Zhenjiang, Jiangsu, 212003, China; Department of Chemistry, National University of Singapore, Singapore, 117543, Singapore; Corresponding author. Department of Chemistry, National University of Singapore, Singapore, 117543, Singapore.Jiangsu Institute for Food and Drug Control, Nanjing, 210019, China; National Medical Products Administration Key Laboratory for Impurity Profile of Chemical Drugs, Nanjing, 210019, China; Corresponding author. Jiangsu Institute for Food and Drug Control, Nanjing, 210019, China.School of Pharmacy, China Pharmaceutical University, Nanjing, 211112, ChinaJiangsu Institute for Food and Drug Control, Nanjing, 210019, China; National Medical Products Administration Key Laboratory for Impurity Profile of Chemical Drugs, Nanjing, 210019, China; Corresponding author. Jiangsu Institute for Food and Drug Control, Nanjing, 210019, China.School of Chemistry and Chemical Engineering, Nanjing University, Nanjing, 210046, ChinaIn-depth study of the components of polymyxins is the key to controlling the quality of this class of antibiotics. Similarities and variations of components present significant analytical challenges. A two-dimensional (2D) liquid chromatography-mass spectrometr (LC-MS) method was established for screening and comprehensive profiling of compositions of the antibiotic colistimethate sodium (CMS). A high concentration of phosphate buffer mobile phase was used in the first-dimensional LC system to get the components well separated. For efficient and high-accuracy screening of CMS, a targeted method based on a self-constructed high resolution (HR) mass spectrum database of CMS components was established. The database was built based on the commercial MassHunter Personal Compound Database and Library (PCDL) software and its accuracy of the compound matching result was verified with six known components before being applied to genuine sample screening. On this basis, the unknown peaks in the CMS chromatograms were deduced and assigned. The molecular formula, group composition, and origins of a total of 99 compounds, of which the combined area percentage accounted for more than 95% of CMS components, were deduced by this 2D-LC-MS method combined with the MassHunter PCDL. This profiling method was highly efficient and could distinguish hundreds of components within 3 h, providing reliable results for quality control of this kind of complex drugs.http://www.sciencedirect.com/science/article/pii/S2095177924001692Colistimethate sodium2D-LC-MSProfilingTargeted screeningComponent deductionDatabase |
| spellingShingle | Xuan Li Minwen Huang Yue-Mei Zhao Wenxin Liu Nan Hu Jie Zhou Zi-Yi Wang Sheng Tang Jian-Bin Pan Hian Kee Lee Yao-zuo Yuan Taijun Hang Hai-Wei Shi Hongyuan Chen Targeted screening and profiling of massive components of colistimethate sodium by two-dimensional-liquid chromatography-mass spectrometry based on self-constructed compound database Journal of Pharmaceutical Analysis Colistimethate sodium 2D-LC-MS Profiling Targeted screening Component deduction Database |
| title | Targeted screening and profiling of massive components of colistimethate sodium by two-dimensional-liquid chromatography-mass spectrometry based on self-constructed compound database |
| title_full | Targeted screening and profiling of massive components of colistimethate sodium by two-dimensional-liquid chromatography-mass spectrometry based on self-constructed compound database |
| title_fullStr | Targeted screening and profiling of massive components of colistimethate sodium by two-dimensional-liquid chromatography-mass spectrometry based on self-constructed compound database |
| title_full_unstemmed | Targeted screening and profiling of massive components of colistimethate sodium by two-dimensional-liquid chromatography-mass spectrometry based on self-constructed compound database |
| title_short | Targeted screening and profiling of massive components of colistimethate sodium by two-dimensional-liquid chromatography-mass spectrometry based on self-constructed compound database |
| title_sort | targeted screening and profiling of massive components of colistimethate sodium by two dimensional liquid chromatography mass spectrometry based on self constructed compound database |
| topic | Colistimethate sodium 2D-LC-MS Profiling Targeted screening Component deduction Database |
| url | http://www.sciencedirect.com/science/article/pii/S2095177924001692 |
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