Establishment of reliable mass spectra and retention indices library: Identification of fatty acids in human plasma without authentic standards

Zhang, Liangxiao; Tan, Binbin; Zeng, Maomao; Lü, Hongmei; Liang, Yi‐Zeng

doi:10.1016/j.talanta.2011.10.046

Cited by 15 publications

(13 citation statements)

References 27 publications

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“…If the retention times of interest were out of straight saturated FAMEs, extrapolation will be employed using retention times of two nearest straight saturated FAMEs; and (3) ECL of FAMEs in the sample were compared with those in freely available databases to identify the unsaturated FAMEs. 12,13 …”

Section: Materials and Regentsmentioning

confidence: 99%

Classification and Adulteration Detection of Vegetable Oils Based on Fatty Acid Profiles

Zhang

Sun

et al. 2014

J. Agric. Food Chem.

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126

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The detection of adulteration of high priced oils is a particular concern in food quality and safety. Therefore, it is necessary to develop authenticity detection method for protecting the health of customers. In this study, fatty acid profiles of five edible oils were established by gas chromatography coupled with mass spectrometry (GC/MS) in selected ion monitoring mode. Using mass spectral characteristics of selected ions and equivalent chain length (ECL), 28 fatty acids were identified and employed to classify five kinds of edible oils by using unsupervised (principal component analysis and hierarchical clustering analysis), supervised (random forests) multivariate statistical methods. The results indicated that fatty acid profiles of these edible oils could classify five kinds of edible vegetable oils into five groups and are therefore employed to authenticity assessment. Moreover, adulterated oils were simulated by Monte Carlo method to establish simultaneous adulteration detection model for five kinds of edible oils by random forests. As a result, this model could identify five kinds of edible oils and sensitively detect adulteration of edible oil with other vegetable oils about the level of 10%.

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Section: Materials and Regentsmentioning

confidence: 99%

Classification and Adulteration Detection of Vegetable Oils Based on Fatty Acid Profiles

Zhang

Sun

et al. 2014

J. Agric. Food Chem.

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126

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“…The strategy of building a special database was proposed and demonstrated by a simple library of fatty acid methyl esters . To avoid a chromatographic shift, fixed experimental conditions are used to analyze fatty acids in all samples.…”

Section: Chemometric Algorithms and Theoriesmentioning

confidence: 99%

Chemometrics in instrumental analysis of complex systems—in honor and memory of Yi‐Zeng Liang

Zhang

Yun

et al. 2018

Journal of Chemometrics

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A true pioneer in the fields of chemometrics and analytical chemistry was lost with the passing of Yi-Zeng Liang in October 2016. This is an enormous loss to both the local and global community of chemometrics. Yi-Zeng Liang is recognized as one of the major players in China in the field of chemometrics. As a professor of chemometrics and analytical chemistry in Hunan University and Central South University, he made significant advances within instrumental analysis of complex systems. Liang inspired many students and visiting scholars. As Liang's former students, we have attempted to summarize Liang's contributions to the field over the past 30 years. This review covers different chemometric areas, signal preprocessing, multivariate curve resolution, and multivariate calibration and discusses the application of these methods in traditional Chinese medicine, metabolomics, proteomics, and quantitative structure-activity relationship research.

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“…On the contrary, for stereoisomers and partial constitutional isomers, both mass spectra and RIs are similar or even identical. Thus, the RIs in the database should be obtained in the same column and even at the same chromatographic conditions [39].…”

Section: Combination Of Mass Spectral Feature and Retention Indexmentioning

confidence: 99%

“…Further analysis of elution properties and QSAR-based RI prediction by using existing RIs are especially important for automatic identification of unknown compounds. Through combining mass spectral characteristics discovered by DA with elution properties analyzed in previous studies [37][38][39], automatic identification systems were established for directly elucidating monomethylalkane and wax ester, respectively [31,32]. Using this strategy, a multi-dimensional approach was developed to identify FAMEs by combining diagnostic marker ions and RIs [40].…”

Section: Combination Of Mass Spectral Feature and Retention Indexmentioning

confidence: 99%

Strategies for structure elucidation of small molecules using gas chromatography-mass spectrometric data

Zhang

Tang

Cao

et al. 2013

TrAC Trends in Analytical Chemistry

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Establishment of reliable mass spectra and retention indices library: Identification of fatty acids in human plasma without authentic standards

Cited by 15 publications

References 27 publications

Classification and Adulteration Detection of Vegetable Oils Based on Fatty Acid Profiles

Classification and Adulteration Detection of Vegetable Oils Based on Fatty Acid Profiles

Chemometrics in instrumental analysis of complex systems—in honor and memory of Yi‐Zeng Liang

Strategies for structure elucidation of small molecules using gas chromatography-mass spectrometric data

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