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Differentiation of Cis/trans-geometrical isomers in long-chain unsaturated fatty acids based on ion mobility and theoretical calculations.
He, Sisi; Shi, Lulu; Zheng, Zi-Wei; Wu, Fangling; Ding, Chuan-Fan.
Afiliación
  • He S; Zhejiang Provincial Key Laboratory of Advanced Mass Spectrometry and Molecular Analysis, Institute of Mass Spectrometry, School of Material Science and Chemical Engineering, Ningbo University, Ningbo, Zhejiang 315211, China.
  • Shi L; The Research Institute of Advanced Technologies, Ningbo University, Ningbo, 315211, Zhejiang, China. Electronic address: sll417@126.com.
  • Zheng ZW; Digital Industry Research Institute, Zhejiang Wanli University, No.8 South Qian Hu Road, Ningbo City, Zhejiang Province, PR China.
  • Wu F; Zhejiang Provincial Key Laboratory of Advanced Mass Spectrometry and Molecular Analysis, Institute of Mass Spectrometry, School of Material Science and Chemical Engineering, Ningbo University, Ningbo, Zhejiang 315211, China. Electronic address: wufangling@nbu.edu.cn.
  • Ding CF; Zhejiang Provincial Key Laboratory of Advanced Mass Spectrometry and Molecular Analysis, Institute of Mass Spectrometry, School of Material Science and Chemical Engineering, Ningbo University, Ningbo, Zhejiang 315211, China.
Food Chem ; 457: 140156, 2024 Nov 01.
Article en En | MEDLINE | ID: mdl-38936120
ABSTRACT
In recent years, fatty acids containing conjugated CCs have attracted extensive research attention due to their biological activities against human diseases. However, their differentiation is challenging. This study developed a comprehensive analytical solution to accurately differentiate cis/trans-fatty acid isomers using ion mobility mass spectrometry (IM-MS) and theoretical calculations. Cis/trans-fatty acids were mobility-differentiated via simple complexation with 1,5,9-triazacyclododecane (9C3N) or 1,4,8,11-tetraazacyclotetradecane (10C4N) and metal ions, obtaining baseline separation with a peak-to-peak resolution of 0.35-0.92. Moreover, the conformation of the complexes was optimized theoretically, revealing different binding modes between the cis/trans-fatty acid-9C3N/10C4N-metal ion systems, yielding in-depth structural data on the complexes and elucidating the principles of mobility separation. Furthermore, the proposed method was assessed in terms of quantification, accuracy, and precision repeatability. Finally, the method was applied to analyze oil samples. Given its simplicity, speed, and lack of chemical derivatization or chromatographic separation, this technique has potential applications in food analysis.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Ácidos Grasos Insaturados / Espectrometría de Movilidad Iónica Idioma: En Revista: Food Chem Año: 2024 Tipo del documento: Article País de afiliación: China Pais de publicación: Reino Unido
Texto completo
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Imprimir
XML
PubMed Links
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Ácidos Grasos Insaturados / Espectrometría de Movilidad Iónica Idioma: En Revista: Food Chem Año: 2024 Tipo del documento: Article País de afiliación: China Pais de publicación: Reino Unido