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Green Extraction of Natural Products for Application in Pharmaceuticals, Foods,...
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Green Extraction of Natural Products for Application in Pharmaceuticals, Foods, Cosmetics and Agriculture

A special issue of Separations (ISSN 2297-8739). This special issue belongs to the section "Analysis of Natural Products and Pharmaceuticals".

Deadline for manuscript submissions: 10 July 2026 | Viewed by 5589

Special Issue Editors

Prof. Dr. Luicita Lagunez-Rivera

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Guest Editor
Instituto Politécnico Nacional, Oaxaca 71233, Mexico
Interests: green chemistry-assisted extraction methods; natural products; isolation of bioactive molecules with medicinal use; essential oils; phenolic compounds; compound identification; UPLC-ESI- qTOF- MS/MS; GC-MS/MS TQ
Prof. Dr. Esther Ramirez Moreno

E-Mail Website
Guest Editor
Área Académica de Ingeniería Agroindustrial e Ingeniería en Alimentos, Instituto de Ciencias Agropecuarias, Universidad Autónoma del Estado de Hidalgo, Av. Universidad km. 1, Ex-Hacienda de Aquetzalpa, Tulancingo 43600, Mexico
Interests: antioxidants extraction; chemical composition; intestinal bioaccesibility of bioactive compounds
Dr. Othmane Merah

E-Mail Website
Guest Editor
1. Laboratoire de Chimie Agroindustrielle, Institut National Polytechnique, INRAe-Toulouse, Toulouse, France
2. Département Génie Biologique, IUT, Université de Toulouse, Toulouse, France
Interests: bioactive accumulation and extraction; plant physiology; genetics; abiotic stress; lipids; essential oils; biofertilizers; cereals; oilseed crops; viticulture
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Due to the increasing demand for naturalness in our society, researchers and the industry are now aiming to find active molecules and develop methods for the extraction and application of these molecules that meet the demand for naturalness. The extraction of bioactive molecules using green chemistry ensures the environmental protection of the natural products employed in pharmaceuticals, food, and cosmetics. The energies generated via the use of ultrasonics, microwaves, thermomagnetic induction, the subcritical or supercritical conditions of solvents such as water, CO2 and N2, and SPME (solid-phase microextraction) are an alternative to conventional methods. Traditional knowledge regarding the use of plant species represents a starting point for the discovery of new compounds that could have a significant impact on the world. Gas and liquid chromatography techniques, mass spectrometry, time-of-flight analyzers, and other related techniques enable the efficiency of extraction processes to be measured through yield, purity, and the selective isolation of compounds. The optimization of these methods could reduce the number of experiments performed and the processing time, among other variables.

In this Special Issue, we welcome submissions that explore new green extraction methods, strategies that enhance the yield of compounds, and their effects on the development of novel pharmaceuticals, food products, cosmetics and agricultural applications.

Prof. Dr. Luicita Lagunez-Rivera
Prof. Dr. Esther Ramirez Moreno
Dr. Othmane Merah
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. Separations 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 2600 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

  • plant species sources
  • orchids
  • primary metabolites
  • secondary metabolites
  • essential oils
  • fragrances
  • antioxidant activity
  • pharmaceutical application
  • nutraceutical application
  • molecular nutrition
  • intestinal bioaccessibility
  • agricultural uses

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Published Papers (4 papers)

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Research

20 pages, 3235 KB  
Article
Optimization of Green Pressurized Liquid Extraction of Phenolic Compounds with Inhibitory Capacity Reactive Oxygen Species from Crescentia alata Using a Box-Behnken Design
by Paola Ester López-Díaz, Honorio Torres-Aguilar, Rodolfo Solano and Luicita Lagunez-Rivera
Separations 2025, 12(12), 331; https://doi.org/10.3390/separations12120331 - 30 Nov 2025
Viewed by 342
Abstract
Crescentia alata is valued in traditional medicine for its anti-inflammatory and antimicrobial properties. However, research on its phytochemical composition and bioactivity is scarce. Phenolic compounds are of pharmacological interest because they reduce oxidative stress and inflammation. This study aimed to optimize the pressurized [...] Read more.
Crescentia alata is valued in traditional medicine for its anti-inflammatory and antimicrobial properties. However, research on its phytochemical composition and bioactivity is scarce. Phenolic compounds are of pharmacological interest because they reduce oxidative stress and inflammation. This study aimed to optimize the pressurized liquid extraction of phenolic compounds to enhance the cellular antioxidant activity of the fruit extract. Response Surface Methodology with a Box–Behnken Design was used. Three variables were evaluated at three levels: temperature (25, 37.5, and 50 °C), pressure (10, 30, and 50 bar), and time (10, 20, and 30 min). The effect of these variables was monitored on the total phenolic content, total flavonoid content, and the percentage of inhibition of reactive oxygen species. The optimal extraction conditions were 40.98 °C, 29.52 bar, and 16.89 min, which yielded a TPC of 28.27 mg GAE/g DW, TFC of 19.08 mg QE/g DW, and 72.05% ROS inhibition. This methodology proved to be effective for optimizing the extraction of phenolic compounds and revealed the influence of extraction conditions on their biological activity. Full article
(This article belongs to the Special Issue Green Extraction of Natural Products for Application in Pharmaceuticals, Foods, Cosmetics and Agriculture)
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16 pages, 2087 KB  
Article
Phytochemical Profile, Antioxidant and Antiproliferative Activity of Randia spp. Fruit Extracts Obtained by Ultrasound-Assisted Extraction
by Cecilia E. Martínez-Sánchez, Erasmo Herman-Lara, Víctor M. Fernández-López, Lilia L. Méndez-Lagunas, Adriana Moreno-Rodríguez, Liliana Argueta-Figueroa and Ivet Gallegos-Marín
Separations 2025, 12(11), 292; https://doi.org/10.3390/separations12110292 - 24 Oct 2025
Viewed by 1320
Abstract
Randia spp. is a medicinal plant traditionally used to treat various diseases. In this study, the phytochemical composition and the antioxidant, antiproliferative, and cytotoxic activities of hydroalcoholic extracts from fresh and dried Randia spp. fruits were evaluated. The phytochemical profile was determined through [...] Read more.
Randia spp. is a medicinal plant traditionally used to treat various diseases. In this study, the phytochemical composition and the antioxidant, antiproliferative, and cytotoxic activities of hydroalcoholic extracts from fresh and dried Randia spp. fruits were evaluated. The phytochemical profile was determined through qualitative assays and high-performance liquid chromatography (HPLC). Antioxidant activity was assessed using 2,2-diphenyl-1-picrylhydrazyl (DPPH) and 2,2-azinobis-(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) assays. The antiproliferative effect was tested against CaCo-2 cells (human colon adenocarcinoma), the cytotoxicity was evaluated using J774.2 murine macrophages, and the selectivity index (SI) was calculated. The fresh and dried fruit extracts contained 50.27 and 47.22 mg QE/g extract of total phenols (TPC) and 27.08 and 35.53 mg QE/g extract of total flavonoids (TFC), respectively. In the fresh fruit extracts, four phenolic acids (caffeic, hydroxybenzoic, ferulic, and coumaric) and one flavonoid (kaempferol) were identified, and the dried fruit extracts contained ferulic acid, vanillic acid, and kaempferol. Kaempferol was the predominant compound in both extracts (137.55 and 42.10 mg/g dry sample in fresh and dried fruits, respectively). Both extracts displayed antioxidant activity, with IC50 values of 18.29 mg/mL (DPPH) and 8.70 mg/mL (ABTS). Among the tested samples, the dried fruit extract demonstrated the highest antiproliferative activity. Furthermore, the extract showed moderate antiproliferative effects against CaCo-2 cells (IC50 25.44 ± 0.16 µg/mL) and low cytotoxicity toward J774.2 cells (CC50 > 100 µg/mL), resulting in an SI = 3.92. Overall, the antioxidant and antiproliferative activities can be attributed mainly to kaempferol, given its high abundance in both extracts. The favorable selectivity index suggests that hydroalcoholic extracts of Randia spp. are safe and effective, highlighting their potential as candidates for further preclinical and clinical evaluation. Full article
(This article belongs to the Special Issue Green Extraction of Natural Products for Application in Pharmaceuticals, Foods, Cosmetics and Agriculture)
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34 pages, 10947 KB  
Article
Hydrophobic Natural Deep Eutectic Solvents for Extraction of Bioactive Compounds: Multiscale Characterization, Quantum Simulations, and Molecular Interaction Studies with Cry j 1 and Amb a 1 Allergens
by Tochukwu Oluwatosin Maduka, Qingyue Wang, Miho Suzuki, Christian Ebere Enyoh, Weiqian Wang and Md. Sohel Rana
Separations 2025, 12(8), 214; https://doi.org/10.3390/separations12080214 - 15 Aug 2025
Viewed by 2491
Abstract
This study explores the synthesis, characterization, and extraction efficiency of hydrophobic natural deep eutectic solvents (NADESs), along with the allergen-modulating potential of extracted bioactive compounds. Six NADESs were synthesized using binary combinations of camphor, thymol, eugenol, and menthol (1:1 molar ratio) and characterized [...] Read more.
This study explores the synthesis, characterization, and extraction efficiency of hydrophobic natural deep eutectic solvents (NADESs), along with the allergen-modulating potential of extracted bioactive compounds. Six NADESs were synthesized using binary combinations of camphor, thymol, eugenol, and menthol (1:1 molar ratio) and characterized using Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis and differential thermal analysis (TGA/DTA), density functional theory (DFT), and molecular dynamics simulations (MD simulations). Bioactive compounds were extracted from Thujopsis dolabrata wood biomass via ultrasonic-assisted extraction and analyzed using gas chromatography–mass spectrometry (GC–MS). The total essential oil yield, estimated semiquantitatively by summing the peak areas of key terpenoid compounds, ranged from 1.91% to 7.90% across different NADES systems, indicating their varied extraction capacities. Molecular docking was performed to assess their allergen-modulating interactions with Amb a 1 and Cry j 1. All NADESs exhibited single-stage decomposition (110–125 °C) except camphor–menthol, which recrystallized. FTIR and simulations confirmed strong hydrogen bonding in eugenol-based NADESs, particularly menthol–eugenol. Extraction identified 47 bioactive compounds, with 4,5α-Epoxy-3-methoxy-17-methyl-7α-(4-phenyl-1,3-butadienyl)-6β,7β-(oxymethylene) morphinan as the most abundant (9.31–11.16%). It exhibited the highest binding affinity (Cry j 1: −8.60 kcal/mol, Amb a 1: −7.40 kcal/mol) and lowest inhibition concentration (Cry j 1: 0.49 µM, Amb a 1: 3.74 µM), suggesting strong allergen-modulating potential. Hydrophobic interactions and hydrogen bonding drove protein–ligand binding. These findings highlight NADESs as effective, sustainable solvents for extracting bioactive compounds with allergen-modulating potential. Full article
(This article belongs to the Special Issue Green Extraction of Natural Products for Application in Pharmaceuticals, Foods, Cosmetics and Agriculture)
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16 pages, 4649 KB  
Article
Rapid Two-Step Isolation of Kaempferol from the Hosta plantaginea Flower and Its Anti-Inflammatory Mechanism: Evidence from Network Pharmacology, Molecular Docking, Molecular Dynamics Simulation, and Experimental Validation
by Yating Yang, Bowei Xia, Huan Ouyang, Junyu Guo, Qingya Hu, Li Yang and Junwei He
Separations 2025, 12(6), 138; https://doi.org/10.3390/separations12060138 - 23 May 2025
Cited by 1 | Viewed by 883
Abstract
The rapid isolation of target constituents from natural products poses a significant challenge and is a key focus in current research. The Hosta plantaginea flower (HPF), a traditional Chinese medicinal herb, is primarily used to treat inflammatory diseases, with kaempferol as one of [...] Read more.
The rapid isolation of target constituents from natural products poses a significant challenge and is a key focus in current research. The Hosta plantaginea flower (HPF), a traditional Chinese medicinal herb, is primarily used to treat inflammatory diseases, with kaempferol as one of its major bioactive constituents. In this study, macroporous adsorption resin was used to purify total flavonoids (TF) from the HPFs. The 50% ethanol–water elution fraction of the TF was then recrystallized to yield kaempferol with a purity of 99.44%. Network pharmacology analysis identified 61 potential kaempferol-inflammation targets, which were linked to the PI3K-Akt and TNF signaling pathways. Molecular docking and molecular dynamics simulations revealed the stability and binding of kaempferol to PI3K, Akt, and TNF-α proteins. The analysis metrics included binding ability, the root mean square deviation (RMSD), radius of gyration, free energy landscape, solvent-accessible surface area, hydrogen bond count, RMS fluctuation, free binding energy, amino acid residue free energy decomposition, and principal component analysis. The anti-inflammatory mechanism of kaempferol was further validated in an LPS-induced RAW264.7 cell model, where it was shown to inhibit the PI3K-Akt and TNF-α signaling pathways. This study provides new insights into the anti-inflammatory mechanism of kaempferol and presents novel strategies for the rapid isolation of target constituents from natural products. Full article
(This article belongs to the Special Issue Green Extraction of Natural Products for Application in Pharmaceuticals, Foods, Cosmetics and Agriculture)
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