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Applied Sciences
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Novel Developments in Chemical Characterization and Evaluation of Bioactive Compounds
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Novel Developments in Chemical Characterization and Evaluation of Bioactive Compounds

A special issue of Applied Sciences (ISSN 2076-3417). This special issue belongs to the section "Chemical and Molecular Sciences".

Deadline for manuscript submissions: 20 January 2027 | Viewed by 6984

Special Issue Editor

Dr. Cláudia Neves

E-Mail Website
Guest Editor
CERNAS-IPV Research Centre, Polytechnic University of Viseu, 3504-510 Viseu, Portugal
Interests: sustainable oxidation processes; catalysis; transformation and structural characterization of organic compounds; innovative products development from plant biomass; extraction of phytochemicals from agroforestry and agroindustrial by-products; value-added products; circular bioeconomy; liquid and gas chromatography; bioactivity; antioxidant; antimicrobial activity
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The exploration of bioactive compounds from natural sources continues to captivate researchers, driven by their remarkable benefits for health and potential applications across diverse fields. These compounds, including polyphenols, terpenoids, alkaloids, steroids, polysaccharides, fatty acids offer antioxidant, antibacterial, anti-inflammatory, and anti-cancer effects, as well as support for metabolic regulation and neurodegenerative disease prevention.

Renewed interest in traditional medicinal plants highlights the untapped potential of natural resources for producing value-added products. However, the complexity and diversity of bioactive compounds pose challenges in their extraction, processing, and evaluation, requiring advanced and innovative methodologies for precise chemical characterization and functional assessment.

This Special Issue focuses on cutting-edge developments in the identification, characterization, and application of bioactive compounds from natural sources. Original research and review articles are invited on topics including, but not limited to advanced extraction, purification, and structural elucidation techniques, as well as analytical methods for assessing chemical and biological properties. Topics also include exploring underutilized plant species and agri-food by-products, and developing novel products for health, cosmetics, agriculture, and beyond.

Dr. Cláudia Neves
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 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 250 words) can be sent to the Editorial Office for assessment.

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. Applied Sciences 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 2400 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 compounds
  • natural sources
  • extraction techniques
  • structural elucidation
  • analytical methods
  • value-added products

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Published Papers (4 papers)

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Research

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12 pages, 921 KB  
Article
Role of Solvent and Citric Acid-Mediated Solvent Acidification in Enhancing the Recovery of Phenolics, Flavonoids, and Anthocyanins from Apple Peels
by Francesca Melini, Sara Fasano and Valentina Melini
Appl. Sci. 2026, 16(2), 671; https://doi.org/10.3390/app16020671 - 8 Jan 2026
Cited by 2 | Viewed by 1047
Abstract
Apple peels are rich in phenolic acids, flavonoids, and anthocyanins, particularly in red-skinned varieties. However, they are commonly underutilized. Their re-evaluation as a source of natural antioxidants and functional ingredients represents an important opportunity to reduce waste and improve sustainability across the apple [...] Read more.
Apple peels are rich in phenolic acids, flavonoids, and anthocyanins, particularly in red-skinned varieties. However, they are commonly underutilized. Their re-evaluation as a source of natural antioxidants and functional ingredients represents an important opportunity to reduce waste and improve sustainability across the apple processing chain. The aim of this study is to evaluate the effect of solvent type (aqueous methanol vs. ethanol) and citric acid-mediated acidification (0.1 to 1.0 g/mL) on the extraction of total phenolics, flavonoids, and anthocyanins from dried Red Delicious apple peels using ultrasound-assisted extraction (50 °C, 10 min). Results indicate that moderate solvent acidification (0.5 g/mL) optimized the recovery of total phenolics and anthocyanins, whereas high acidity negatively affects flavonoid recovery, indicating compound-specific sensitivity to low pH. Ethanol proved superior for flavonoid and anthocyanin extraction, achieving comparable or higher yields than methanol under acidified conditions. At the individual compound level, HPLC analysis showed that only a subset of the phenolic compounds—especially cyanidin-3-O-glucoside—responded strongly to changes in sample conditions, while others, such as catechin and rutin, remained largely unaffected. These findings provide a practical and sustainable strategy for valorizing apple peel residues, highlighting citric acid as a safe, inexpensive acidifying agent and ethanol as a GRAS solvent suitable for scalable recovery of high-value antioxidants. Full article
(This article belongs to the Special Issue Novel Developments in Chemical Characterization and Evaluation of Bioactive Compounds)
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13 pages, 1348 KB  
Article
From Waste to Resource: Valorization of Yellow Ginkgo Leaves as a Source of Pharmacologically Relevant Biflavonoids
by Iva Jurčević Šangut and Dunja Šamec
Appl. Sci. 2025, 15(21), 11436; https://doi.org/10.3390/app152111436 - 26 Oct 2025
Viewed by 1483
Abstract
Ginko (Ginkgo biloba L.) is a widely distributed ornamental tree that produces large quantities of leaves annually, turning golden yellow in autumn due to chlorophyll degradation and carotenoid retention. While green ginkgo leaves and standardized extracts have been extensively studied, senescent and [...] Read more.
Ginko (Ginkgo biloba L.) is a widely distributed ornamental tree that produces large quantities of leaves annually, turning golden yellow in autumn due to chlorophyll degradation and carotenoid retention. While green ginkgo leaves and standardized extracts have been extensively studied, senescent and naturally fallen leaves remain only scarcely investigated, despite representing a substantial biomass resource. In this study, we analyzed yellow ginkgo leaves collected directly from trees and those naturally shed at four time points during autumn. We determined pigment composition, total polyphenols, flavonoids, phenolic acids, and the concentrations of five major biflavonoids. Chlorophylls decreased progressively in tree-collected leaves, whereas carotenoid levels remained stable or slightly elevated. Polyphenolic compounds were more abundant in fallen leaves. Biflavonoid profiling revealed the presence of amentoflavone, bilobetin, ginkgetin, isoginkgetin, and sciadopitysin, with sciadopitysin as the most abundant. Total biflavonoid content reached up to 8 mg/g dw, with higher levels in fallen leaves compared to those collected from the tree. These findings highlight yellow ginkgo leaves, particularly fallen ones, as a sustainable and non-invasive source of pharmacologically relevant biflavonoids. However, further research is needed to optimize eco-friendly extraction strategies and to evaluate safety aspects. Full article
(This article belongs to the Special Issue Novel Developments in Chemical Characterization and Evaluation of Bioactive Compounds)
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21 pages, 2769 KB  
Article
Utilizing Natural Deep Eutectic Solvents (NADESs) for Sustainable Phytonutrient Recovery: Optimization and Multi-Matrix Extraction of Bioactive Compounds
by Ainur Makarova, Ceylin Özten and Bartłomiej Zieniuk
Appl. Sci. 2025, 15(9), 4843; https://doi.org/10.3390/app15094843 - 27 Apr 2025
Cited by 8 | Viewed by 3022
Abstract
Bioactive phytochemicals, such as polyphenols, play vital roles in human health, but conventional extraction methods rely on hazardous solvents. This study establishes natural deep eutectic solvents (NADESs) as versatile and environmentally friendly alternatives for recovering a variety of bioactive compounds from plant materials. [...] Read more.
Bioactive phytochemicals, such as polyphenols, play vital roles in human health, but conventional extraction methods rely on hazardous solvents. This study establishes natural deep eutectic solvents (NADESs) as versatile and environmentally friendly alternatives for recovering a variety of bioactive compounds from plant materials. Five choline chloride-based NADESs were evaluated for their effectiveness in extracting betalains (from beetroot), carotenoids (from carrot and sweet potato), anthocyanins (from chokeberry pomace and red onion), and polyphenols (from Lonicera japonica flowers, hop cones, rowan berries, and spent coffee grounds). Notably, NADES2 outperformed water in betalain recovery (179.86 mg of betanin/100 g of beetroot), while NADES4 (choline chloride-urea, 1:2 molar ratio) matched the polyphenol extraction efficiency of ethanol. Using L. japonica flowers as a model for optimization, Response Surface Methodology (RSM) identified the solvent ratio and temperature as critical extraction parameters, using high ratios (12:1–15:1 v/w) and moderate heat (55–75 °C) to maximize recovery. NADES4 emerged as a high-performing solvent, achieving a total phenolic content (TPC) of 75.94 mg chlorogenic acid/g and antioxidant activity of 451.00 µmol Trolox/g under the following conditions: 60% aqueous dilution, 15:1 solvent ratio, and 80 °C, 30 min. These findings highlight NADESs as a green, tunable solvent system for phytochemical extraction across plant species, offering enhanced efficiency, reduced environmental impact, and alignment with sustainable practices. Full article
(This article belongs to the Special Issue Novel Developments in Chemical Characterization and Evaluation of Bioactive Compounds)
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Review

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24 pages, 1242 KB  
Review
Natural Biotics as Biocontrol Agents for Sustainable Aquaculture
by Fatimazahra Jouga, Fatima Mourabiti, Abdelaziz Soukri, Trinidad de Miguel and Bouchra El Khalfi
Appl. Sci. 2026, 16(5), 2258; https://doi.org/10.3390/app16052258 - 26 Feb 2026
Viewed by 751
Abstract
Aquaculture has evolved as one of the most dynamic industries in food production, representing the fastest-growing activity in meeting global food demand. Nevertheless, its rapid expansion is accompanied by significant challenges, including water pollution and the proliferation of pathogens that induce stress in [...] Read more.
Aquaculture has evolved as one of the most dynamic industries in food production, representing the fastest-growing activity in meeting global food demand. Nevertheless, its rapid expansion is accompanied by significant challenges, including water pollution and the proliferation of pathogens that induce stress in aquatic organisms, leading to disease outbreaks and high mortality rates. To mitigate these problems, antibiotics and chemical agents are widely used to control infections. However, their excessive application results in residual contamination and promotes the emergence of drug-resistant bacterial strains. As a sustainable and environmentally friendly alternative, probiotics, prebiotics, and phytobiotics have attracted growing interest as substitutes for conventional chemotherapy in aquaculture. These functional feed additives enhance disease resistance and exhibit diverse bioactivities, such as antibacterial, antiviral, antifungal, and antiparasitic effects. Additionally, they improve growth performance, strengthen immune responses in cultured species, and contribute to better water quality. This review synthesizes current findings on the role of probiotics, prebiotics and phytobiotics in advancing sustainable aquaculture practices worldwide, while critically discussing their limitations, such as species-specificity, dose and duration responses, and potential long-term risks, thereby providing valuable insights to guide future research and innovation toward environmentally responsible and health-promoting solutions in the aquaculture industry. Full article
(This article belongs to the Special Issue Novel Developments in Chemical Characterization and Evaluation of Bioactive Compounds)
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