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Advanced Analytical Methodologies in Detecting Bioactive Food and Plant Constituents
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Advanced Analytical Methodologies in Detecting Bioactive Food and Plant Constituents

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Analytical Chemistry".

Deadline for manuscript submissions: closed (31 August 2024) | Viewed by 8879

Special Issue Editors

Prof. Dr. Tuba Esatbeyoglu

E-Mail Website
Guest Editor
Department of Food Development and Food Quality, Institute of Food Science and Human Nutrition, Gottfried Wilhelm Leibniz University Hannover, Am Kleinen Felde 30, 30167 Hannover, Germany
Interests: secondary plant metabolites; analytical chemistry; food chemistry; mass spectrometry; separation techniques; bioactivity-guided isolation; biological activity; cell culture studies; natural antioxidants; bioaccessibility; bioavailability; functional food
Special Issues, Collections and Topics in MDPI journals
Dr. Recep Gök

E-Mail Website
Guest Editor
Institute of Food Chemistry, Technische Universität Braunschweig, Schleinitzstrasse 20, 38106 Braunschweig, Germany
Interests: wine chemistry; natural products; norisoprenoids; glycosides; aroma precursors, carotenoids; polyphenols; antioxidants; gas chromatography (GC); liquid chromatography (LC); ion mobility separation (IMS); mass spectrometry (MS); stable isotope dilution assay (SIDA); activity-guided isolation; offline hyphenation of countercurrent chromatography with GC–MS

Special Issue Information

Dear Colleagues,

The path to the discovery and characterization of bioactive molecules from food or plant extracts is often a very exciting journey accompanied by a wide range of analytical and molecular biological methodologies and resembles, at the same time, “a needle search in the haystack”. In recent years, the application of targeted and non-targeted methods using chromatographic, spectroscopic, and spectrometric techniques in conjunction with chemometrics has become common in this field. The discovery and subsequent identification of bioactive molecules is important for areas of functional foods, novel foods, authenticity, as well as drug discovery, design, and development, even if this is only the initial step for latter. Conventional bioassay-guided isolation methodologies allow a precise localization of the bioactive substances in fractions after chromatographic workflows in several cases. However, the search and the need for novel and innovative strategies will never cease.

Therefore, this Special Issue aims to cover “Advanced Analytical Methodologies in Detecting Bioactive Food and Plant Constituents” and to collect original high-quality research and review articles dealing with current innovative strategies and developments in methodologies and techniques. Research areas may include (but are not limited to) the keywords below.

We look forward to receiving your contributions.

Prof. Dr. Tuba Esatbeyoglu
Dr. Recep Gök
Guest Editors

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 submissions that pass pre-check are 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. Molecules is an international peer-reviewed open access semimonthly 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 2700 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

  • bioactive molecules, secondary metabolites, phytochemicals, antioxidants
  • natural product extracts, superfoods
  • industrial side-streams, agricultural byproducts
  • thin layer chromatography, liquid chromatography, gas chromatography
  • ion mobility detection, mass spectrometry, nuclear magnetic resonance spectroscopy
  • screening methods, targeted and non-targeted analysis
  • bioactivity based molecular networking
  • fingerprinting, chemometrics, metabolomics, foodomics, volatolomics
  • bioassay-guided isolation methodologies, cell culture studies, bioaccessibility, bioavailability
  • analytical strategies for bioactive compound characterization, chiral separations, quantitation
  • cytotoxicity, neurotoxicity, genotoxicity
  • nutraceuticals, functional foods, novel foods, drug discovery, design, and development

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Published Papers (5 papers)

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Research

13 pages, 2634 KiB  
Article
Metabolite Variations during the First Weeks of Growth of Immature Citrus sinensis and Citrus reticulata by Untargeted Liquid Chromatography–Mass Spectrometry/Mass Spectrometry Metabolomics
by Estelle Deschamps, Marie Durand-Hulak, Denis Castagnos, Marie Hubert-Roux, Isabelle Schmitz, Yann Froelicher and Carlos Afonso
Molecules 2024, 29(16), 3718; https://doi.org/10.3390/molecules29163718 - 6 Aug 2024
Viewed by 544
Abstract
Immature citruses are an important resource for the pharmaceutical industry due to their high levels of metabolites with health benefits. In this study, we used untargeted liquid chromatography–mass spectrometry (LC-MS) metabolomics to investigate the changes associated with fruit size in immature citrus fruits [...] Read more.
Immature citruses are an important resource for the pharmaceutical industry due to their high levels of metabolites with health benefits. In this study, we used untargeted liquid chromatography–mass spectrometry (LC-MS) metabolomics to investigate the changes associated with fruit size in immature citrus fruits in the first weeks of growth. Three orange cultivars (Citrus sinensis ‘Navel’, Citrus sinensis ‘Valencia’, and Citrus sinensis ‘Valencia Late’) and a mandarin (Citrus reticulata Blanco ‘Fremont’) were separated into eight fruit sizes, extracted, and analyzed. Statistical analyses revealed a distinct separation between the mandarin and the oranges based on 56 metabolites, with an additional separation between the ‘Navel’ orange and the ‘Valencia’ and ‘Valencia Late’ oranges based on 21 metabolites. Then, metabolites that evolved significantly with fruit size growth were identified, including 40 up-regulated and 31 down-regulated metabolites. This study provides new insights into the metabolite modifications of immature Citrus sinensis and Citrus reticulata in the first weeks of growth and emphasizes the significance of including early sampled fruits in citrus maturation studies. Full article
(This article belongs to the Special Issue Advanced Analytical Methodologies in Detecting Bioactive Food and Plant Constituents)
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26 pages, 6864 KiB  
Article
Nontargeted Screening for Flavonoids in Salicornia Plant by Reversed-Phase Liquid Chromatography–Electrospray Orbitrap Data-Dependent MS2/MS3
by Maroussia Parailloux, Simon Godin and Ryszard Lobinski
Molecules 2023, 28(7), 3022; https://doi.org/10.3390/molecules28073022 - 28 Mar 2023
Cited by 2 | Viewed by 1899
Abstract
The Salicornia genus has great potential in agrifood industries because of its nutritional benefits related to its high content of antioxidant compounds, including flavonoids. A nontargeted method based on reversed-phase liquid chromatography–electrospray orbitrap data-dependent MS2/MS3 and the fragment ion search [...] Read more.
The Salicornia genus has great potential in agrifood industries because of its nutritional benefits related to its high content of antioxidant compounds, including flavonoids. A nontargeted method based on reversed-phase liquid chromatography–electrospray orbitrap data-dependent MS2/MS3 and the fragment ion search (FISh) strategy was developed to screen flavonoids in Salicornia plants. An extensive study of fragmentation of a set of flavonoid standards allowed for the definition of 15 characteristic fragment ions for flagging flavonoids in the plant matrix. The nontargeted analysis was applied to Salicornia europaea species and allowed for the annotation of 25 candidate flavonoids, including 14 that had not been reported previously. Structural prediction of two unreported flavonoids and their isomeric forms was based on an advanced data processing method using an in silico approach and in-house databases compiling flavonoid-specific chemical substitution. Finally, the method developed allowed for the optimization of extraction yields of flavonoids from the plant matrix. Full article
(This article belongs to the Special Issue Advanced Analytical Methodologies in Detecting Bioactive Food and Plant Constituents)
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16 pages, 1886 KiB  
Article
Multifunctional Portable System Based on Digital Images for In-Situ Detecting of Environmental and Food Samples
by Diego Barzallo, Jorge Benavides, Víctor Cerdà and Edwin Palacio
Molecules 2023, 28(6), 2465; https://doi.org/10.3390/molecules28062465 - 8 Mar 2023
Cited by 5 | Viewed by 1757
Abstract
The development of a portable device created by 3D printing for colorimetric and fluorometric measurements is an efficient tool for analytical applications in situ or in the laboratory presenting a wide field of applications in the environmental and food field. This device uses [...] Read more.
The development of a portable device created by 3D printing for colorimetric and fluorometric measurements is an efficient tool for analytical applications in situ or in the laboratory presenting a wide field of applications in the environmental and food field. This device uses a light-emitting diode (LED) as radiation source and a webcam as a detector. Digital images obtained by the interaction between the radiation source and the sample were analyzed using a programming language developed in Matlab (Mathworks Inc., Natick, MA, USA), which builds the calibration curves in real-time using the RGB colour model. In addition, the entire system is connected to a notebook which serves as an LED and detector power supply without the need for any additional power source. The proposed device was used for the determination in situ of norfloxacin, allura red, and quinine in water and beverages samples, respectively. For the validation of the developed system, the results obtained were compared with a conventional spectrophotometer and spectrofluorometer respectively with a t-test at a 95% confidence level, which provides satisfactory precision and accuracy values. Full article
(This article belongs to the Special Issue Advanced Analytical Methodologies in Detecting Bioactive Food and Plant Constituents)
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18 pages, 4967 KiB  
Article
Discovery, Validation, and Target Prediction of Antibacterial and Antidiabetic Components of Archidendron clypearia Based on a Combination of Multiple Analytical Methods
by Wenduo Ji, Lixia Gu, Xuezhe Zou, Zhichao Li, Xiaohong Xu, Jialin Wu, Shu Zhang and Hong Deng
Molecules 2023, 28(3), 1329; https://doi.org/10.3390/molecules28031329 - 30 Jan 2023
Cited by 3 | Viewed by 1834
Abstract
Archidendron clypearia (A. clypearia), a Fabaceae family member, is widely used as an anti-inflammatory herbal medicine; however, its antibacterial and antidiabetic properties have not been extensively investigated. This study aimed to systematically analyze the antibacterial and antidiabetic components of A. clypearia [...] Read more.
Archidendron clypearia (A. clypearia), a Fabaceae family member, is widely used as an anti-inflammatory herbal medicine; however, its antibacterial and antidiabetic properties have not been extensively investigated. This study aimed to systematically analyze the antibacterial and antidiabetic components of A. clypearia by utilizing a combination of analytical methods. First, ten different polarity extracts were analyzed through ultra-performance liquid chromatography (UPLC), and their antibacterial and antidiabetic activities were evaluated. Then the spectrum–effect relationship between the biological activity and UPLC chromatograms was analyzed by partial least squares regression and gray relational analysis, followed by corresponding validation using isolated components. Finally, network pharmacology and molecular docking were implemented to predict the main antibacterial target components of A. clypearia and the enzyme inhibition active sites of α-amylase and α-glucosidase. P15, P16, and P20 were found to be the antibacterial and antidiabetic active components. The inhibitory effect of 7-O-galloyltricetiflavan (P15) on six bacterial species may be mediated through the lipid and atherosclerosis pathway, prostate cancer, adherens junctions, and targets such as SRC, MAPK1, and AKT1. The molecular docking results revealed that 7-O-galloyltricetiflavan and 7,4′-di-O-galloyltricetiflavan (P16/P20) can bind to α-amylase and α-glucosidase pockets with binding energies lower than −6 kcal/mol. Our study provides guidance for the development of antibacterial and antidiabetic products based on A. clypearia and can be used as a reference for the evaluation of bioactivity of other herbs. Full article
(This article belongs to the Special Issue Advanced Analytical Methodologies in Detecting Bioactive Food and Plant Constituents)
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12 pages, 3678 KiB  
Article
High-Resolution Bioassay Profiling with Complemented Sensitivity and Resolution for Pancreatic Lipase Inhibitor Screening
by Jingyi Jian, Jiaming Yuan, Yu Fan, Jincai Wang, Tingting Zhang, Jeroen Kool and Zhengjin Jiang
Molecules 2022, 27(20), 6923; https://doi.org/10.3390/molecules27206923 - 15 Oct 2022
Cited by 6 | Viewed by 1846
Abstract
How to rapidly and accurately screen bioactive components from complex natural products remains a major challenge. In this study, a screening platform for pancreatic lipase (PL) inhibitors was established by combining magnetic beads-based ligand fishing and high-resolution bioassay profiling. This platform was well [...] Read more.
How to rapidly and accurately screen bioactive components from complex natural products remains a major challenge. In this study, a screening platform for pancreatic lipase (PL) inhibitors was established by combining magnetic beads-based ligand fishing and high-resolution bioassay profiling. This platform was well validated using a mixture of standard compounds, i.e., (-)- epigallocatechin gallate (EGCG), luteolin and schisandrin. The dose–effect relationship of high-resolution bioassay profiling was demonstrated by the standard mixture with different concentrations for each compound. The screening of PL inhibitors from green tea extract at the concentrations of 0.2, 0.5 and 1.0 mg/mL by independent high-resolution bioassay profiling was performed. After sample pre-treatment by ligand fishing, green tea extract at the concentration of 0.2 mg/mL was specifically enriched and simplified, and consequently screened through the high-resolution bioassay profiling. As a result, three PL inhibitors, i.e., EGCG, (-)-Gallocatechin gallate (GCG) and (-)-Epicatechin gallate (ECG), were rapidly identified from the complex matrix. The established platform proved to be capable of enriching affinity binders and eliminating nonbinders in sample pre-treatment by ligand fishing, which overcame the technical challenges of high-resolution bioassay profiling in the aspects of sensitivity and resolution. Meanwhile, the high-resolution bioassay profiling possesses the ability of direct bioactive assessment, parallel structural analysis and identification after separation. The established platform allowed more accurate and rapid screening of PL inhibitors, which greatly facilitated natural product-based drug screening. Full article
(This article belongs to the Special Issue Advanced Analytical Methodologies in Detecting Bioactive Food and Plant Constituents)
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