Untargeted metabolomic analysis by ultra-high-resolution mass spectrometry for the profiling of new Italian wine varieties

Onzo, Alberto; Acquavia, Maria Assunta; Pascale, Raffaella; Iannece, Patrizia; Gaeta, Carmine; Lelario, Filomena; Ciriello, Rosanna; Tesoro, Carmen; Bianco, Giuliana; Capua, Angela Di

doi:10.1007/s00216-022-04314-x

Cited by 6 publications

(2 citation statements)

References 77 publications

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“…FT-ICR MS is capable of achieving low ppm mass accuracy and high resolving power as the detection signal in the analyzer cell typically lasts for several seconds, resulting in numerous cycles of cyclotron motion [35]. Therefore, a significant limitation in the number of empirical formulas that can be associated with a m/z could be reached [36][37][38]. As with FT-ICR MS just MS/MS experiments can be conducted, in this work a comprehensive structural characterization of all newly synthesized drugs has been supported by MS n analysis performed with a positive-mode electrospray ionization mass spectrometer with a quadrupole linear ion trap analyzer (ESI-(+)-LTQ-MS/MS).…”

Section: Discussionmentioning

confidence: 99%

Novel Piperazine and Morpholine Derivatives: Mass Spectrometry Characterization and Evaluation of Their Antimicrobial Properties

Acquavia,

Bonomo,

Bianco

et al. 2023

Preprint

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Recently, pharmaceutical research has been focused on the design of new antibacterial drugs with higher selectivity towards several strains. Major issues concern the possibility to obtain com-pounds with fewer side effects, at the same time effectively overcoming the problem of antimi-crobial resistance. Several solutions include the synthesis of new pharmacophores starting from piperazine or morpholine core units. Mass spectrometry-based techniques offer important sup-port for the structural characterization of newly synthesized compounds to design safer and more effective drugs for various medical conditions. Here, two new piperazine derivatives and four new morpholine derivatives were synthesized and structurally characterized through a combined approach of FT-ICR and LTQ mass spectrometry. The support of both high-resolution and low-resolution mass spectrometric data namely accurate mass measurements, isotopic distribu-tion and MSn spectra, was crucial to confirm the success of the synthesis. These compounds were further evaluated for inhibitory activity against a total of twenty-nine Gram-positive and Gram-negative bacteria to determine the action spectrum and the antimicrobial effectiveness. Results demonstrated compounds’ antimicrobial activity against many tested bacterial species, providing an inhibitory effect linked to different chemical structure and suggesting that the new-synthesized derivatives could be considered as promising antimicrobial agents.

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Section: Discussionmentioning

confidence: 99%

Novel Piperazine and Morpholine Derivatives: Mass Spectrometry Characterization and Evaluation of Their Antimicrobial Properties

Acquavia,

Bonomo,

Bianco

et al. 2023

Preprint

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“…Due to the importance of microorganisms in biological systems, the study of metabolomics has also received attention in the field of microbiology and has been widely used in different research fields, such as the study of microbial functional genes, microbial product metabolism, and fermentation regulation [12]. At present, the main research and analysis methods used in metabolomics are ultra-high-resolution mass spectrometry (UHRMS) [13], gas chromatography (GC) [14,15], ultra-high-performance liquid chromatography coupled with time-of-flight high-resolution tandem mass spectrometry (UHPLC/Q-TOF-MS/MS) [16], ion migration spectrometry (IMS) [17], gas chromatography time-offlight mass spectrometry (GC-TOF-MS) [18], gas chromatography quadrupole flight time mass spectrometry (GC-QTOF-MS) [19], infrared spectrometry (IR) [20], headspace solidphase microextraction gas chromatography mass spectrometry (HS-SPME-GC-MS) [21,22], nuclear magnetic resonance (NMR) [23], etc. Among them, headspace solid-phase microextraction and GC are widely used due to their simple operation.…”

Section: Introductionmentioning

confidence: 99%

Analysis of Metabolic Components of JUNCAO Wine Based on GC-QTOF-MS

Fan

Zheng

Qiu

et al. 2023

Foods

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JUNCAO wine fermentation metabolites are closely related to the final quality of the product. Currently, there are no studies of dynamic metabolite changes during fermentation of JUNCAO wine. Here, we used gas chromatography quadrupole time-of-flight mass spectrometry (GC-QTOF-MS) metabolomics and multivariate statistical analysis to explore the relationship between metabolites and fermentation time. A total of 189 metabolites were annotated throughout the fermentation process. The principal component analysis (PCA) revealed a clear separation between the samples in the early and late stages of fermentation. A total of 60 metabolites were annotated as differential during the fermentation (variable importance in the projection, VIP > 1, and p < 0.05), including 21 organic acids, 10 amino acids, 15 sugars and sugar alcohols, and 14 other metabolites. Pathway analysis showed that the most commonly influenced pathways (impact value > 0.1 and p < 0.05) were tricarboxylic acid cycle, alanine, aspartic acid and glutamic acid metabolism, pyrimidine metabolism, and other 10 metabolic pathways. Moreover, integrated metabolic pathways are generated to understand the conversion and accumulation of differential metabolites. Overall, these results provide a comprehensive overview of metabolite changes during fermentation of JUNCAO wine.

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Volatile linalool activates grapevine resistance against downy mildew with changes in the leaf metabolome

Avesani,

Lazazzara,

Robatscher

et al. 2023

Current Plant Biology

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Untargeted metabolomic analysis by ultra-high-resolution mass spectrometry for the profiling of new Italian wine varieties

Cited by 6 publications

References 77 publications

Novel Piperazine and Morpholine Derivatives: Mass Spectrometry Characterization and Evaluation of Their Antimicrobial Properties

Novel Piperazine and Morpholine Derivatives: Mass Spectrometry Characterization and Evaluation of Their Antimicrobial Properties

Analysis of Metabolic Components of JUNCAO Wine Based on GC-QTOF-MS

Volatile linalool activates grapevine resistance against downy mildew with changes in the leaf metabolome

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