Special Issue "Volatile Metabolites’ New Frontier for Metabolomics"
Deadline for manuscript submissions: 30 October 2020.
Interests: volatile metabolite; exhaled breath; fecal headspace analysis; machine learning; gut microbiome
Volatile metabolites, i.e., volatile organic compounds (VOCs), are becoming new frontiers in the metabolomics field. With the development of new technologies, the field of VOCs has grown over the last few years. The application of VOCs in breath and feces but also in in vitro studies has demonstrated the valuable potential of volatile metabolites in understanding and discovering the biomedical field. Thus far, volatile metabolites have become an essential part of exploring the emerging biomedical and medical fields. This Special Issue of Metabolites on “Volatile Metabolites’ New Frontier for Metabolomics” will be committed to volatile metabolites analyzed in various biofluids such as breath, blood, urine, feces for monitoring or various diseases, treatment or diet in cell and bacteria culture, and animal and human subjects. The Special Issue will be covering various topics, including but not limited to biomedical/medical application of volatile metabolites, novel approaches for sampling and analyzing the volatile metabolites, machine learning approaches, and statistical modeling of volatile metabolites. Manuscripts dealing with other pertinent challenging issues are also highly desired.
Dr. Agnieszka Smolinska
Manuscript Submission Information
Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All papers will be peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.
Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Metabolites is an international peer-reviewed open access monthly journal published by MDPI.
Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 1600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.
- Volatile metabolites
- Breath, feces, urine, blood, cell, and bacteria culture
- Machine learning and data mining for volatile metabolites
- Biomedical application of volatile metabolites
- Biomarker discovery
- Analytical approaches
- Sensor analysis
The below list represents only planned manuscripts. Some of these manuscripts have not been received by the Editorial Office yet. Papers submitted to MDPI journals are subject to peer-review.
Title: Application of GC × GC TOF MS for profiling of volatiles from human urine samples in screening for kidney diseases
Tomasz Ligor, Boguslaw Buszewski at al.
Abstract: Comprehensive two-dimensional gas chromatography time of flight mass spectrometry (GC × GC TOF MS) and solid phase microextraction (SPME) was applied to the analysis of urinary volatiles from persons with chronic glomerular disease and healthy control. Different VOC profiles were obtained from patients and control. Over 100 compounds were observed in each sample. The automatically identified substances were manually verified in order to remove artefacts contaminants, silicones, column bleeding etc.) and exogenous compounds. The peak areas of identified substances were used to build the data matrix for chemometric analyses. Six compounds were found in elevated amounts in the patients group, i.e. 1-phenylethanol, 3,5,5-trimethyl-3-cyclohexen-1-one, methyl hexadecanoate, 9-octadecen-1-ol, phenol and 6,10-dimethyl-5,9-undecadien-2-one. The level of these compounds ranged from 1.7 times higher (methyl hexadecanoate) to 14 times higher (9-octadecen-1-ol) in the urine of patients than in the control.
Key words: urine analysis, volatile organic compounds, two dimensional comprehensive gas chromatography, mass spectrometry.
Title: Untargeted Volatile Molecular Profiling of Human Breast Milk using HS-SPME-GC×GC-TOFMS for the Detection of Novel Metabolites
Lili Kang, Jane Hill et al.
Volatile compounds present in human breast milk are thought to play an important role in maternal-infant bonding, however, the compound(s) responsible for this apparent “scent signal” have not yet been elucidated. Untargeted metabolomic profiling using highly sensitive analytical instrumentation could aid in the identification of these compounds, with potential implications for infant health and nutritional status.
To characterize the volatile compounds present in human milk using headspace solid-phase microextraction (HS-SPME) coupled to comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC×GC-TOFMS).
Human milk was collected from 43 mothers at their six-week postpartum appointments, and the volatile molecules present in the headspace of these milk samples were concentrated using HS-SPME and analyzed via comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry GC×GC-TOFMS.
506 unique volatile compounds were detected in the headspace of human milk samples, of which 188 (37 %) were common to all mothers, while the remaining 318 were detected in only a subset of samples. One hundred and forty-eight (29 %) compounds could be assigned putative identifications based on mass spectral matching, of which 97 have not previously been detected in human milk.
The use of HS-SPME-GC×GC-TOFMS for the untargeted analysis of volatile compounds in human milk reveals a greater number and wider variety of chemical compounds than previously reported using other analytical techniques, and demonstrates considerable mother-to-mother variability. While the precise identities of the volatile compounds responsible for maternal-infant signaling remain undetermined, the novel compounds reported in this study represent potential candidates.