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Food Bioactive Compounds: Chemical Challenges and Opportunities, 2nd Edition
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Food Bioactive Compounds: Chemical Challenges and Opportunities, 2nd Edition

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

Deadline for manuscript submissions: closed (31 May 2026) | Viewed by 7043

Special Issue Editors

Dr. Diana Obistioiu

E-Mail Website
Guest Editor
Faculty of Agriculture, University of Life Sciences “King Michael I” from Timisoara, Calea Aradului 119, 300645 Timisoara, Romania
Interests: essential oils; phytochemistry; GC–MS analysis; antimicrobial activity; antibiofilm activity; antifungal activity; natural bioactive compounds; food preservation; molecular docking; ADME analysis; medicinal and aromatic plants; functional foods; nanocarriers and encapsulation systems
Special Issues, Collections and Topics in MDPI journals
Dr. Iuliana Popescu

E-Mail Website
Guest Editor
Faculty of Agriculture, University of Life Sciences “King Michael I” from Timisoara, Calea Aradului 119, 300645 Timisoara, Romania
Interests: natural product chemistry; mass spectrometry; chromatography; esters; hydrazones;hydrazine; Schiff bases; synthesis

Special Issue Information

Dear Colleagues,

In recent years, there has been a growing need for both nutritional and healthy foods with superior functional properties. In this line, bioactive compounds are economically available in different foods systems, albeit with limitations in terms of quality and functionality.

The present Special Issue is placed in this context and aims to explore the following:

  1. The chemical characterisation of bioactive compounds (e.g., polyphenols, flavonoids, and alkaloids) and their importance in regard to stability, bioavailability, and efficacy.
  2. Novel methodology used in research to identify and quantify the bioactive compounds in food matrices.
  3. Their antimicrobial, antitumoral, anti-inflammatory, and antioxidant properties with implications in health.
  4. The importance of bioactive compounds in preventing food-related problems concerning food processing and preservation.
  5. New innovative opportunities regarding future applications in food technology, nutraceuticals, and functional foods for enhancement of the nutritional value and health benefits of foods.

In addition to presenting the importance of food bioactive compounds in functional foods and dietary supplements, this issue highlights the multidisciplinary character of the research, encompassing disciplines such as food science, microbiology, chemistry, pharmacology, and nutrition. Review articles providing an overview of the latest trends in this area of interest are also very welcome.

Dr. Diana Obistioiu
Dr. Iuliana Popescu
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 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. 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 compounds
  • non-conventional extraction techniques
  • modern analytical methods
  • authenticity
  • molecular mechanism
  • functional properties
  • antimicrobial, antitumoral, anti-inflammatory, and antioxidant properties

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Related Special Issue

Published Papers (6 papers)

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Research

24 pages, 11591 KB  
Article
Conformation-Driven Bilayer Nanocarriers for Anthocyanins Using Shell Polysaccharides: Stabilization Mechanisms and Enhanced In Vitro Lipid-Lowering Activity
by Chunting Zhu, Jing Xu, Yunmei Ma, Yue Mi, Xing Yang, Dongfang Shi and Kai Song
Molecules 2026, 31(10), 1634; https://doi.org/10.3390/molecules31101634 - 13 May 2026
Viewed by 325
Abstract
Blueberry anthocyanins (BAs) exhibit strong antioxidant and lipid-regulating activities; however, their chemical instability and low oral bioavailability limit their practical application. In this study, two plant-based bilayer nanocarriers were developed using soybean lecithin as the lipid core and gum arabic (GA) or carrageenan [...] Read more.
Blueberry anthocyanins (BAs) exhibit strong antioxidant and lipid-regulating activities; however, their chemical instability and low oral bioavailability limit their practical application. In this study, two plant-based bilayer nanocarriers were developed using soybean lecithin as the lipid core and gum arabic (GA) or carrageenan (CGN) as the shell polysaccharide. The optimized systems achieved encapsulation efficiencies of 79.7% and 81.9%, respectively. Structural analyses showed that anthocyanins were stably incorporated into the carriers through multiple non-covalent interactions and transformed from a crystalline to an amorphous state. The two shell polysaccharides exhibited distinct conformation-dependent protective behaviors: GA provided better thermal protection, whereas CGN showed superior resistance to light, metal ions, ascorbic acid, and simulated intestinal digestion. After INFOGEST digestion, anthocyanin retention in the intestinal phase was 47% and 51% for the GA- and CGN-coated systems, respectively, and antioxidant activity was better preserved than in the free anthocyanin group. In an oleic-acid-induced HepG2 lipid accumulation model, the CGN carrier showed good biocompatibility and significantly enhanced the lipid-lowering effect of anthocyanins, with the most pronounced reduction in intracellular triglycerides. These results indicate that the CGN carrier has considerable potential for maintaining anthocyanin stability, modulating digestive behavior, and enhancing biological efficacy, and provide a reference for the design of plant-based delivery systems for bioactive ingredients. Full article
(This article belongs to the Special Issue Food Bioactive Compounds: Chemical Challenges and Opportunities, 2nd Edition)
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21 pages, 1189 KB  
Article
Tryptophan-Rich Moringa oleifera Leaves Expand Plant Protein Potential: Nutritional Characteristics and Spectroscopic Fingerprinting
by Joanna Harasym, Philippine Geollot, Gabriela Haraf, Rafał Wiśniewski, Adam Zając, Daniel Ociński and Ewa Pejcz
Molecules 2026, 31(7), 1188; https://doi.org/10.3390/molecules31071188 - 3 Apr 2026
Viewed by 763
Abstract
Moringa oleifera leaves are recognized as a nutrient-dense plant material of compositional and nutritional interest. This study aimed to characterize the nutritional and physicochemical properties of M. oleifera dried leaves through nutritional assessment and spectroscopic fingerprinting. Amino acid profiling, antioxidant activity assessment using [...] Read more.
Moringa oleifera leaves are recognized as a nutrient-dense plant material of compositional and nutritional interest. This study aimed to characterize the nutritional and physicochemical properties of M. oleifera dried leaves through nutritional assessment and spectroscopic fingerprinting. Amino acid profiling, antioxidant activity assessment using ferric reducing antioxidant power (FRAP), 2,2-diphenyl-1-picrylhydrazyl (DPPH), 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS), and oxygen radical absorbance capacity (ORAC) assays, chromatographic analysis of organic acids and sugars, color measurement, techno-functional characterization, and vibrational spectroscopy including Fourier Transform infrared with attenuated total reflectance (FT-IR/ATR) and Raman were employed. The crude protein content was 16.13 ± 0.43%. Moringa leaves contained all essential amino acids, with notably high tryptophan content (amino acid score, AAS = 200.00%). The amino acids limiting the nutritional value of the protein were primarily sulfur-containing amino acids (AAS = 49.57%) and lysine (AAS = 49.79%). Histidine, leucine, and valine also showed levels below the reference protein. Antioxidant activity exhibited solvent-dependent patterns: the 80% ethanolic extract demonstrated significantly higher FRAP activity (27.05 ± 1.05 mg Trolox Equivalent (TxE)/g dry matter (DM)) and ORAC values (107.24 ± 6.80 mg TxE/g DM), while no statistically significant differences between extracts were observed for DPPH, ABTS, or total phenolic content. Chromatographic profiling identified fructose and glucose as the predominant sugars, alongside citric, succinic, lactic, and acetic acids. The leaves exhibited favorable techno-functional properties, including high water holding capacity and water solubility index. Spectroscopic analysis revealed bands consistent with proteins, lipids, carbohydrates, and glycoside-related structures, while the preserved green-yellow coloration (hue angle 101.68°) indicated retention of pigment-related features during processing. These findings provide compositional and physicochemical characteristics of Moringa leaves relevant to their evaluation as a plant-derived food material. Full article
(This article belongs to the Special Issue Food Bioactive Compounds: Chemical Challenges and Opportunities, 2nd Edition)
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19 pages, 314 KB  
Article
Optimized Extraction of Bioactive Polysaccharides from Wild Mushrooms: Toward Enhanced Yield and Antioxidant Activity
by Aya Samy Ewesys Khalil and Marcin Lukasiewicz
Molecules 2025, 30(23), 4647; https://doi.org/10.3390/molecules30234647 - 3 Dec 2025
Viewed by 1115
Abstract
The aqueous extraction of bioactive compounds from wild mushroom fruiting bodies, focusing on carbohydrates, has been systematically examined. This study includes three mushroom species common in the northern hemisphere: Suillus luteus, Tricholoma equestre, and Hydnum repandum. These species were selected [...] Read more.
The aqueous extraction of bioactive compounds from wild mushroom fruiting bodies, focusing on carbohydrates, has been systematically examined. This study includes three mushroom species common in the northern hemisphere: Suillus luteus, Tricholoma equestre, and Hydnum repandum. These species were selected for their potential as cost-effective sources of bioactive compounds. For each species, the optimization of liquid-to-solid (LS) ratio (50:1 v/w to 150:1 v/w), temperature (70–90 °C), and processing time (3 to 5 h) was conducted to determine optimal parameters for total carbohydrate content (TCC), while minimizing reducing sugars to favor higher molecular weight polysaccharides. The bioactive properties were explored and optimized based on the antioxidant properties of extracts. The data were compared with previous studies on commonly cultivated mushrooms, such as Agaricus bisporus. Results show that the high LS ratio has the most significant influence on TCC content, though optimal values for other parameters (temperature and time) vary by species. The optimal LS ratios were 150:1 for Suillus luteus, 149.89 for Tricholoma equestre, and 149.76 for Hydnum repandum. Temperature and duration varied among species, with Suillus luteus requiring 5 h at 89.92 °C, Tricholoma equestre needing 3.98 h at 70.07 °C, and Hydnum repandum requiring 3.00 h at 70.01 °C. A similar trend was observed in minimizing reducing sugars, confirming the high LS ratio may support extracting longer polysaccharide chains. Studies on antioxidant activity revealed that bioactive molecules in the extract are water-soluble molecules; however, the optimal values for antioxidant activity are strongly mushroom-species-dependent. The optimal conditions for enhancing antioxidant activity of aqueous extracts, measured by ABTS method, were: for Suillus luteus, an LS ratio of 123.68, 5 h, and 86.63 °C; for Tricholoma equestre, an LS ratio of 95.27, 4.05 h, and 73.87 °C; and for Hydnum repandum, an LS ratio of 50.01, 5 h, and 89.98 °C. The aqueous extraction method proved efficient for recovering bioactive polysaccharide fractions from wild mushrooms. Full article
(This article belongs to the Special Issue Food Bioactive Compounds: Chemical Challenges and Opportunities, 2nd Edition)
18 pages, 2695 KB  
Article
Comparative Analysis of Growth Traits and Metabolic Profiles in Camassia Cultivars ‘Alba’ and ‘Caerulea’ Under Varying Cultivation Conditions
by Alina-Ştefana Ozarchevici, Ilian Badjakov, Petko Mladenov, Ivayla Dincheva, Bogdan-Ionel Cioroiu and Lucia Draghia
Molecules 2025, 30(23), 4520; https://doi.org/10.3390/molecules30234520 - 23 Nov 2025
Viewed by 930
Abstract
This study examines the morphological growth and metabolic responses of two Camassia leichtlinii cultivars, ‘Alba’ and ‘Caerulea’, cultivated under three contrasting systems: open field, outdoor pots, and greenhouse (indoor pots). Morphological parameters, including leaf number, scape development, and bulb biometric traits, were assessed [...] Read more.
This study examines the morphological growth and metabolic responses of two Camassia leichtlinii cultivars, ‘Alba’ and ‘Caerulea’, cultivated under three contrasting systems: open field, outdoor pots, and greenhouse (indoor pots). Morphological parameters, including leaf number, scape development, and bulb biometric traits, were assessed over two consecutive growth seasons. Parallel GC–MS metabolite profiling identified 38 major compounds encompassing sugars, fatty acids, amino acids, and organic acids. Principal component analysis (PCA) and hierarchical clustering (HCA) effectively discriminated samples by cultivation condition, cultivar, and plant maturity. Environmental factors accounted for the largest share of metabolic variation (61%), followed by genotype (28%) and plant age (6%). The cultivar ‘Caerulea’ exhibited greater biomass accumulation and broader metabolic variability under greenhouse conditions, while ‘Alba’ maintained consistently high sucrose and glutamine levels across environments. Notably, the greenhouse environment, although strongly promoting primary metabolite accumulation, suppressed scape initiation and flowering in both cultivars, indicating a trade-off between metabolic enhancement and reproductive development under controlled conditions. These findings highlight differential adaptive strategies among Camassia cultivars and provide molecular insights into their carbohydrate metabolism, environmental responsiveness, and potential nutritional and phytochemical applications under diverse horticultural conditions. Full article
(This article belongs to the Special Issue Food Bioactive Compounds: Chemical Challenges and Opportunities, 2nd Edition)
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17 pages, 1295 KB  
Article
Physicochemical Profiling, Bioactive Properties, and Spectroscopic Fingerprinting of Cow’s Milk from the Pampas Valley (Tayacaja, Peru): A Chemometric Approach to Geographical Differentiation
by Eudes Villanueva, Harold P. J. Ore-Quiroz, Gino P. Prieto-Rosales, Raquel N. Veliz-Sagarvinaga, Yaser M. Chavez-Solano, Elza Aguirre, Gustavo Puma-Isuiza and Beetthssy Z. Hurtado-Soria
Molecules 2025, 30(22), 4484; https://doi.org/10.3390/molecules30224484 - 20 Nov 2025
Viewed by 1186
Abstract
This study aimed to characterize the physicochemical and functional properties of bovine milk from four districts (Acraquia, Ahuaycha, Pampas, and Daniel Hernández) of the Pampas Valley, Tayacaja province, Huancavelica (Peru), and assess its geographical traceability using vibrational spectroscopy and chemometric tools. Milk samples [...] Read more.
This study aimed to characterize the physicochemical and functional properties of bovine milk from four districts (Acraquia, Ahuaycha, Pampas, and Daniel Hernández) of the Pampas Valley, Tayacaja province, Huancavelica (Peru), and assess its geographical traceability using vibrational spectroscopy and chemometric tools. Milk samples were analyzed for composition (fat, protein, lactose, salts), fatty acid profile, total phenolic compounds (TPC), antioxidant capacity (AC), and spectral features using mid-infrared (MIR) and Raman spectroscopy. The results revealed significant compositional differences among localities, particularly in fat, protein, and salt content, with Daniel Hernández milk showing higher nutritional density. The fatty acid profile, although statistically similar across districts, highlighted a favorable nutritional composition dominated by oleic, palmitic, and stearic acids. TPC and AC values were homogeneous among districts, reflecting similar feeding and management practices. Molecular vibration analysis via MIR and Raman spectroscopy allowed for the identification of key biochemical differences, particularly in lipid and carbohydrate regions. SIMCA classification models, based on MIR spectral data, successfully discriminated samples by origin with Inter-Class Distance (ICD) values exceeding 3, confirming statistically significant separation. Discriminating power plots revealed that proteins (amide I), lactose (C–O, C–C), and lipid-associated bands (C=O, CH2) were major contributors to class differentiation. These findings demonstrate the effectiveness of combining spectroscopic and chemometric approaches to trace the geographical origin of milk and provide scientific support for potential quality labeling systems. This methodology contributes to ensuring product authenticity, promoting regional value-added dairy production, and supporting sustainable rural development in high-Andean ecosystems. Full article
(This article belongs to the Special Issue Food Bioactive Compounds: Chemical Challenges and Opportunities, 2nd Edition)
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14 pages, 3226 KB  
Article
Physical, Chemical, and Enzymatic Pretreatment of Spent Hops and Its Impact on Xanthohumol Extraction Yield
by Aleksandra Modzelewska, Mateusz Jackowski and Anna Trusek
Molecules 2025, 30(10), 2200; https://doi.org/10.3390/molecules30102200 - 18 May 2025
Cited by 3 | Viewed by 1653
Abstract
Spent hops from the supercritical extraction process represent a valuable source of xanthohumol (XN), a prenylated flavonoid with demonstrated anticancer, antidiabetic, antibacterial, and anti-inflammatory properties. However, XN is thermally sensitive and readily isomerizes into the less bioactive iso-XN at elevated temperatures, necessitating mild [...] Read more.
Spent hops from the supercritical extraction process represent a valuable source of xanthohumol (XN), a prenylated flavonoid with demonstrated anticancer, antidiabetic, antibacterial, and anti-inflammatory properties. However, XN is thermally sensitive and readily isomerizes into the less bioactive iso-XN at elevated temperatures, necessitating mild extraction conditions. Previous studies have shown that the pretreatment of plant biomass can enhance the extraction efficiency of bioactive compounds. In this study, various pretreatment methods—including physical (freeze–thaw, ultrasound, and microwave), chemical (acid and base hydrolysis), and enzymatic approaches—were applied to spent hops prior to extraction, and XN yields were compared to those obtained from untreated samples. The experiments, performed in triplicate, yielded meaningful results which helped understand the raw material’s behavior in applied conditions. Due to the compound’s high thermal sensitivity, ultrasound and microwave pretreatments require precise control to prevent excessive temperature increases, making low-temperature methods more suitable. Additionally, exposure to elevated pH adversely affected XN extraction efficiency, limiting the applicability of strong alkaline pretreatments. Among the evaluated methods, freeze–thaw pretreatment proved to be a simple and effective strategy, enhancing XN extraction yields by up to 10.7 ± 0.7% through the optimization of soaking time, the solid-to-liquid ratio, and the thawing temperature. Identifying an inexpensive and efficient pretreatment method could reduce extraction time while improving yield, contributing to the sustainable utilization of spent hops as an XN source. Full article
(This article belongs to the Special Issue Food Bioactive Compounds: Chemical Challenges and Opportunities, 2nd Edition)
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