Special Issue "Shining the Light on High-Throughput—the Forgotten Role of Vibrational Spectroscopy"

A special issue of High-Throughput (ISSN 2571-5135).

Deadline for manuscript submissions: closed (15 December 2019).

Special Issue Editor

Dr. Daniel Cozzolino
Website
Guest Editor
Centre for Nutrition and Food Sciences, Queensland Alliance for Agriculture and Food Innovation (QAAFI), The University of Queensland, Brisbane, Queensland 4072, Australia
Interests: infrared spectroscopy; chemometrics; food chemistry; vibrational spectroscopy; NIR

Special Issue Information

Dear Colleagues,

Current analytical and instrumental platforms routinely used during high-throughput analysis are based on the sole or combined application of gas (GC) or liquid chromatography (LC), and mass spectrometry (MS). Although vibrational spectroscopy techniques such as near (NIR), mid (MIR), and Raman are considered intrinsically high-throughput, they are not extensively used in the field. In addition, current developments in multivariate data analysis (chemometrics) allow for novel applications of these techniques in agriculture, biology, and more recently, in medicine.

This Special Issue focuses on recent advances in NIR, MIR and Raman spectroscopy as high-throughput methods in different fields (e.g., agriculture, biomedicine, food, process analytics). The specific objectives of the issue are to further showcase the advantages (and disadvantages) of these analytical methods combined with chemometrics, advances in hardware (e.g., instrumentation, hyperspectral) and software (e.g., algorithms), as well as new high-throughput applications.

Assoc. Prof. Dr. Daniel Cozzolino
Guest Editor

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. High-Throughput is an international peer-reviewed open access quarterly 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 1000 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.

Keywords

  • High-throughput technologies
  • High-throughput experimentation
  • Near infrared
  • Mid infrared
  • Raman
  • Vibrational spectroscopy
  • Chemometrics
  • Multivariate data analysis
  • Applications

Published Papers (2 papers)

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Research

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Open AccessArticle
A Simple, Label-Free, and High-Throughput Method to Evaluate the Epigallocatechin-3-Gallate Impact in Plasma Molecular Profile
High-Throughput 2020, 9(2), 9; https://doi.org/10.3390/ht9020009 - 09 Apr 2020
Cited by 1 | Viewed by 789
Abstract
Epigallocatechin-3-gallate (EGCG), the major catechin present in green tea, presents diverse appealing biological activities, such as antioxidative, anti-inflammatory, antimicrobial, and antiviral activities, among others. The present work evaluated the impact in the molecular profile of human plasma from daily consumption of 225 mg [...] Read more.
Epigallocatechin-3-gallate (EGCG), the major catechin present in green tea, presents diverse appealing biological activities, such as antioxidative, anti-inflammatory, antimicrobial, and antiviral activities, among others. The present work evaluated the impact in the molecular profile of human plasma from daily consumption of 225 mg of EGCG for 90 days. Plasma from peripheral blood was collected from 30 healthy human volunteers and analyzed by high-throughput Fourier transform infrared spectroscopy. To capture the biochemical information while minimizing the interference of physical phenomena, several combinations of spectra pre-processing methods were evaluated by principal component analysis. The pre-processing method that led to the best class separation, that is, between the plasma spectral data collected at the beginning and after the 90 days, was a combination of atmospheric correction with a second derivative spectra. A hierarchical cluster analysis of second derivative spectra also highlighted the fact that plasma acquired before EGCG consumption presented a distinct molecular profile after the 90 days of EGCG consumption. It was also possible by partial least squares regression discriminant analysis to correctly predict all unlabeled plasma samples (not used for model construction) at both timeframes. We observed that the similarity in composition among the plasma samples was higher in samples collected after EGCG consumption when compared with the samples taken prior to EGCG consumption. Diverse negative peaks of the normalized second derivative spectra, associated with lipid and protein regions, were significantly affected (p < 0.001) by EGCG consumption, according to the impact of EGCG consumption on the patients’ blood, low density and high density lipoproteins ratio. In conclusion, a single bolus dose of 225 mg of EGCG, ingested throughout a period of 90 days, drastically affected plasma molecular composition in all participants, which raises awareness regarding prolonged human exposure to EGCG. Because the analysis was conducted in a high-throughput, label-free, and economic analysis, it could be applied to high-dimension molecular epidemiological studies to further promote the understanding of the effect of bio-compound consumption mode and frequency. Full article
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Open AccessFeature PaperReview
From the Laboratory to The Vineyard—Evolution of The Measurement of Grape Composition using NIR Spectroscopy towards High-Throughput Analysis
High-Throughput 2019, 8(4), 21; https://doi.org/10.3390/ht8040021 - 30 Nov 2019
Cited by 3 | Viewed by 958
Abstract
Compared to traditional laboratory methods, spectroscopic techniques (e.g., near infrared, hyperspectral imaging) provide analysts with an innovative and improved understanding of complex issues by determining several chemical compounds and metabolites at once, allowing for the collection of the sample “fingerprint”. These techniques have [...] Read more.
Compared to traditional laboratory methods, spectroscopic techniques (e.g., near infrared, hyperspectral imaging) provide analysts with an innovative and improved understanding of complex issues by determining several chemical compounds and metabolites at once, allowing for the collection of the sample “fingerprint”. These techniques have the potential to deliver high-throughput options for the analysis of the chemical composition of grapes in the laboratory, the vineyard and before or during harvest, to provide better insights of the chemistry, nutrition and physiology of grapes. Faster computers, the development of software and portable easy to use spectrophotometers and data analytical methods allow for the development of innovative applications of these techniques for the analyses of grape composition. Full article
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