Journal Description
AppliedChem
AppliedChem
is an international, peer-reviewed, open access journal on all aspects of applied chemistry published quarterly online by MDPI.
- Open Access— free for readers, with article processing charges (APC) paid by authors or their institutions.
- High Visibility: indexed within ESCI (Web of Science), Scopus, CAPlus / SciFinder, and other databases.
- Rapid Publication: manuscripts are peer-reviewed and a first decision is provided to authors approximately 23.7 days after submission; acceptance to publication is undertaken in 6.9 days (median values for papers published in this journal in the first half of 2026).
- Recognition of Reviewers: APC discount vouchers, optional signed peer review and reviewer names are published annually in the journal.
- AppliedChem is a companion journal of Applied Sciences.
Impact Factor:
2.3 (2025);
5-Year Impact Factor:
2.4 (2025)
Latest Articles
Divanillin as a Building Block for Sustainable Polymer Synthesis by Metal-Free Aldol Polycondensation
AppliedChem 2026, 6(3), 56; https://doi.org/10.3390/appliedchem6030056 - 11 Aug 2026
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There is growing demand for biosourced functional polymers, particularly in organic electronics, which continue to rely heavily on petroleum-derived materials. In this regard, platform chemicals obtained from biomass offer sustainable alternatives. However, the development of biosourced polymers prepared by metal-free methods remains limited.
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There is growing demand for biosourced functional polymers, particularly in organic electronics, which continue to rely heavily on petroleum-derived materials. In this regard, platform chemicals obtained from biomass offer sustainable alternatives. However, the development of biosourced polymers prepared by metal-free methods remains limited. In this context, lignin-derived divanillin is an attractive renewable unit that can be incorporated into polymer backbones. This work discusses the synthesis and characterization of a new family of biosourced divanillin-based polymers prepared through metal-free aldol polycondensation. Divanillin was obtained from biosourced vanillin and converted into two dialdehyde monomers bearing either methyl or decyl substituents. These monomers were polymerized via aldol polycondensation, affording the following polymers: PDVMeCP, PDVMeCH, PDVMeIND, and PDVC10IND. The influence of the cyclic ketone unit and side-chain structure on their thermal and optical properties was investigated. The polymers were soluble in common organic solvents and also showed solubility in greener solvents such as ethyl L-lactate and p-cymene. Optical and electrochemical analyses showed absorption maxima between 357 and 391 nm and electronic bandgaps from 1.84 to 2.14 eV. Overall, the results demonstrate that divanillin is a promising renewable building block for the metal-free synthesis of sustainable polymers.
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Open AccessArticle
(Co2+,Pd2+)2SiO4Pd0 Olivine: Influence of Lewis Acids on Heterogeneous Heck–Mizoroki Catalysis
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Zanele P. Vundla, Venkata D. B. C. Dasireddy and Holger B. Friedrich
AppliedChem 2026, 6(3), 55; https://doi.org/10.3390/appliedchem6030055 - 10 Aug 2026
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This study investigates the influence of Lewis acids on a novel stratified (Co2+,Pd2+)2SiO4-Pd0 olivine catalyst for the Heck–Mizoroki coupling of iodobenzene and methyl acrylate. Comprehensive characterization (ICP-OES, Raman, P-XRD, XPS) confirms the successful synthesis
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This study investigates the influence of Lewis acids on a novel stratified (Co2+,Pd2+)2SiO4-Pd0 olivine catalyst for the Heck–Mizoroki coupling of iodobenzene and methyl acrylate. Comprehensive characterization (ICP-OES, Raman, P-XRD, XPS) confirms the successful synthesis of a material with surface-incorporated Pd2+ and bulk Pd0 nanoparticles within a Co2SiO4 matrix. The promoter-free system with triethylamine base achieved the highest initial rate of 3.92 × 10−7 mol.s−1 with an average rate of 1.18 × 10−7 mol.s−1, despite a 30 min induction period. However, ZnCl2, the weakest acid, showed the most substrate activation and lowered the induction period to 10 min, while AlCl3 also reduced the induction period to 20 min. FeCl3 showed the poorest performance, attributed to redox-mediated site poisoning rather than hydrolysis. Selectivity over the catalyst was maintained at >99 mol% towards methyl cinnamate irrespective of the Lewis acid or base used. However, recycling of the catalyst led to a gradual decrease in selectivity toward methyl cinnamate from >99 mol% to ~94.6 mol% over three cycles, while conversion remained consistently high at >99 mol% across all cycles, indicating that the catalyst’s primary activity was largely preserved despite surface evolution toward side-product formation. Lewis acids were found to function primarily as surface modifiers and/or productive substrate activators, with stronger Lewis acids also targeting the olivine framework, as seen from the preferential leaching of Co relative to Pd.
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Cypriot Cyclamen spp.: Phytochemical Profiles, Evaluation of the Antioxidant, Antimicrobial Activities and α-Amylase, α-Glucosidase and Acetylcholinesterase Inhibitory Effects
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Anna Petrou, Maria Bei, Maria Papandreou, Ioanna Ioannidou, Eleni Kassi, Marios Andreou, George Albert Karikas and Despina Charalambous
AppliedChem 2026, 6(3), 54; https://doi.org/10.3390/appliedchem6030054 - 6 Aug 2026
Abstract
Cyclamen cyprium Kotschy, an endemic species of Cyprus, remains largely unexplored in terms of its chemical content and biological activity, despite the well-documented effects of other Cyclamen spp. This study aimed to characterize the phytochemical composition and biological activities of leaf extracts from
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Cyclamen cyprium Kotschy, an endemic species of Cyprus, remains largely unexplored in terms of its chemical content and biological activity, despite the well-documented effects of other Cyclamen spp. This study aimed to characterize the phytochemical composition and biological activities of leaf extracts from the endemic C. cyprium and to compare them with those of Cyclamen persicum, the most extensively investigated species within the genus, in order to evaluate interspecific variation in phytochemical composition and bioactivity. Plant extracts prepared with methanol, ethanol, and acetone were assessed for total phenolic and flavonoid content. Their antioxidant activity (DPPH, ABTS, and FRAP assays), metal chelating ability, antimicrobial activity, and possible inhibitory effect related to α-amylase, α-glucosidase and acetylcholinesterase were also evaluated. The results demonstrated that solvent type significantly influenced extraction efficiency, with acetone yielding the highest phenolic (127.88 mg gallic acid/g) and flavonoid (110.42 mg rutin/g) content, while methanol extracts exhibited the strongest antioxidant activity (IC50 = 30.18 μg/mL). Overall, C. persicum showed greater antioxidant capacity compared to C. cyprium, although both species demonstrated moderate antimicrobial activity (MIC = 0.31 mg/mL) and enzyme inhibitory activities (IC50 values ranging from 14.07 to 39.64 μg/mL). Present findings highlight the presence of bioactive compounds (such as gallic acid, caffeic acid, rutin, and quercetin) in C. cyprium, supporting their potential as a natural source of antioxidant and pharmacologically relevant agents. Studying both C. cyprium and C. persicum thus provides essential comparative context, revealing species-specific bioactivities and supporting the broader pharmaceutical relevance of the genus.
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(This article belongs to the Special Issue Research on Extraction and Application of Natural Extracts)
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Green Chemistry-Based Extraction and Process Optimization of Onosma elegantissima: Exploring Its Bioactive Compounds and Pharmacological Potential
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Aikaterina Vantsioti, Vassilis Athanasiadis, Georgios Papamokos, Stavros I. Lalas and Paraskevi Mitlianga
AppliedChem 2026, 6(3), 53; https://doi.org/10.3390/appliedchem6030053 - 4 Aug 2026
Abstract
Onosma elegantissima is an endemic and understudied plant of the Kozani Regional Unit (Greece), with poorly established traditional use. However, the well-documented pharmacological potential of the genus has prompted further investigation. Furthermore, green solvent-based extraction procedures have gained emerging scientific interest due to
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Onosma elegantissima is an endemic and understudied plant of the Kozani Regional Unit (Greece), with poorly established traditional use. However, the well-documented pharmacological potential of the genus has prompted further investigation. Furthermore, green solvent-based extraction procedures have gained emerging scientific interest due to their high efficiency/selectivity and environmentally friendly approach. Therefore, our study aimed to establish the optimal extraction protocol to obtain extracts with high therapeutic value using two green solvent-based techniques: hydrothermal and deep eutectic solvent (DES) extraction. Our results demonstrate that hydrothermal extraction for 90 min at 80 °C yielded extracts exhibiting total phenolic content (35.19 mg GAE/g dw), approximately threefold higher compared to DES extracts (10.03 mg GAE/g dw), and significantly higher antioxidant capacity. The flavonoid concentration (8.39 mg RE eq/g) measured was at the same level for both types of extracts (7.34 mg RE eq/g). The DES extract showed slightly higher anti-inflammatory potential, though. Additional assays were performed to evaluate antimicrobial activity and in vitro antidiabetic capacity. The bioactive compounds of optimized extracts were identified by HPLC, revealing that the most dominant compound recovered was chlorogenic acid in the DES extract and neochlorogenic acid in the hydrothermal extract. To complement the phytochemical analysis, molecular docking was used as a reproducible, hypothesis-generating screen to prioritize future enzyme inhibition assays for HPLC-detected phenolic constituents and literature-related comparators; docking was not used as evidence of biological activity. Conclusively, Onosma elegantissima’s first biological study revealed significant antioxidant activity.
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(This article belongs to the Special Issue Research on Extraction and Application of Natural Extracts)
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Valorisation of Agri-Food Residues: Comparative Analysis of Phenolic Composition, Antioxidant Activity and Extraction Methods
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Vanessa Carvalho, Catarina Rodrigues, Marta Mota, Ana M. Fernandes, Helena Vilaça and Carla J. Silva
AppliedChem 2026, 6(3), 52; https://doi.org/10.3390/appliedchem6030052 - 2 Aug 2026
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Phenolic compounds are recognized for their antioxidant properties and potential application in sustainable functional materials. In this study, the phenolic composition and antioxidant activity of four agro-industrial residues—rice husk, spent hops, and oregano and thyme stems—were evaluated to examine the influence of the
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Phenolic compounds are recognized for their antioxidant properties and potential application in sustainable functional materials. In this study, the phenolic composition and antioxidant activity of four agro-industrial residues—rice husk, spent hops, and oregano and thyme stems—were evaluated to examine the influence of the extraction method and plant matrix on bioactive compound recovery. Extracts obtained by ultrasound-assisted extraction (UAE) and conventional water bath (WB) extraction were characterized using spectrophotometric assays for total phenolic content (TPC) and antioxidant activity (DPPH and ABTS), as well as HPLC analysis for phenolic profiling. Oregano and thyme stem extracts exhibited the highest phenolic content and antioxidant activity, whereas rice husk extracts showed the lowest concentrations of detectable phenolics. Hydroxycinnamic acids, particularly p-coumaric and ferulic acids, predominated across the studied matrices. Multivariate analysis indicated that matrix composition had a greater influence on phenolic profile and antioxidant behaviour than extraction method, with UAE providing comparable results to those obtained by WB extraction while requiring a substantially shorter extraction time. Pearson correlation analysis further suggested that antioxidant activity results from the combined interaction of multiple phenolic compounds rather than isolated constituents. Overall, these residues show potential as sustainable sources of phenolic-rich extracts for functional material applications.
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Chitosan-Stabilized Silver Nanoparticles for Antimicrobial Polyester Finishing by Exhaustion Dyeing: A Critical Assessment of Synthesis-to-Textile Transferability
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Lucas Henrique Pimentel, Ana Claudia Pedrozo da Silva, André Luiz Tessaro, Fabio Alexandre Pereira Scacchetti and Rafael Block Samulewski
AppliedChem 2026, 6(3), 51; https://doi.org/10.3390/appliedchem6030051 - 1 Aug 2026
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Chitosan-stabilized silver nanoparticles are promising antimicrobial agents for textile finishing, but their direct transfer from colloidal synthesis to polyester fabrics is limited by nanoparticle deposition, dispersion stability, and fiber–particle interactions. This study evaluated three reported chitosan-assisted silver nanoparticle routes for antimicrobial polyester finishing
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Chitosan-stabilized silver nanoparticles are promising antimicrobial agents for textile finishing, but their direct transfer from colloidal synthesis to polyester fabrics is limited by nanoparticle deposition, dispersion stability, and fiber–particle interactions. This study evaluated three reported chitosan-assisted silver nanoparticle routes for antimicrobial polyester finishing by exhaustion dyeing. The Ag-containing systems were characterized by UV-Vis spectroscopy, dynamic light scattering, thermogravimetric analysis, X-ray diffraction, scanning electron microscopy coupled with energy-dispersive spectroscopy, atomic absorption spectroscopy, and qualitative antimicrobial assays. The NaBH4-assisted route showed the most defined plasmonic band, with λmax at 408 nm before freeze-drying and 400 nm after redispersion. DLS indicated large apparent hydrodynamic diameters before freeze-drying, which shifted from 439.8, 357.2, and 653.5 nm to 28.7, 29.8, and 38.1 nm after drying/freeze-drying and redispersion for M1, M2, and M3, respectively. XRD confirmed metallic silver mainly in M1 and M2, while SEM/EDS revealed low silver incorporation on polyester fabrics, with 0.69, 0.11, and 0.20 at.% Ag. PET-M3 showed the clearest antimicrobial inhibition and the highest operationally extracted silver. These results indicate that effective antimicrobial polyester finishing requires improved purification, dispersion control, quantitative antimicrobial validation, and nanoparticle–fiber anchoring.
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Dual Bioactivity of Curcuminoid Extract from Curcuma longa: Acaricidal Efficacy Against Dust Mites and Anti-Inflammatory Potential in Immune and Skin Cells
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Navodya S. Kumarasinghe, Amal D. Premarathna, Rando Tuvikene, Nayana Gunathilaka and Medha J. Gunaratna
AppliedChem 2026, 6(3), 50; https://doi.org/10.3390/appliedchem6030050 - 1 Aug 2026
Abstract
House dust mites (HDMs) are major indoor allergens linked to asthma and atopic dermatitis, creating demand for safer, natural alternatives to synthetic acaricides and anti-allergy agents. This study aimed to investigate the dual bioactivity of curcuminoid extract from Curcuma longa to address HDM
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House dust mites (HDMs) are major indoor allergens linked to asthma and atopic dermatitis, creating demand for safer, natural alternatives to synthetic acaricides and anti-allergy agents. This study aimed to investigate the dual bioactivity of curcuminoid extract from Curcuma longa to address HDM allergy through two distinct but complementary scopes: an environmental approach evaluating direct acaricidal efficacy to reduce allergen exposure and a cellular approach investigating the anti-inflammatory potential to mitigate the host’s underlying immune response. Curcuminoids were extracted using Soxhlet extraction with 70% ethanol and characterized via TLC, FTIR-ATR, and LC-MS. Acaricidal activity against HDMs was evaluated using extract-impregnated filter papers (0.1–10 mg/mL) over 24 h. Cytotoxicity and anti-inflammatory effects were assessed in HaCaT keratinocytes and RAW264.7 macrophages through cell viability, migration, phagocytic activity, nitric oxide (NO) inhibition, and gene expression assays. The curcuminoid extract demonstrated potent, dose-dependent acaricidal activity against HDM, achieving 100% mortality at 10 mg/mL within 24 h. A safe sub-cytotoxic concentration (≤0.001 µg/µL) preserved HaCaT cell migration and metabolic activity. In LPS-stimulated RAW264.7 cells, curcuminoids significantly reduced inflammatory NO production (p < 0.01) while enhancing phagocytic activity. Overall, these findings highlight curcuminoids as a sustainable natural strategy for reducing HDM exposure and mitigating allergic inflammation.
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(This article belongs to the Special Issue Research on Extraction and Application of Natural Extracts)
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An Investigation into How Seed Slurry Preparation Affects the Final Crystal Size Distribution
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Alexander Riddell, Qi Feng Chan, Yu Ng Chen and Xiongwei Ni
AppliedChem 2026, 6(3), 49; https://doi.org/10.3390/appliedchem6030049 - 28 Jul 2026
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For continuous crystallization of pharmaceutical and organic chemical compounds in a plug flow crystallizer, seed slurry, prepared in advance, is continuously fed into the crystallizer for controlled secondary nucleation and subsequently desired crystal properties. It is well known that the preparation of macro
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For continuous crystallization of pharmaceutical and organic chemical compounds in a plug flow crystallizer, seed slurry, prepared in advance, is continuously fed into the crystallizer for controlled secondary nucleation and subsequently desired crystal properties. It is well known that the preparation of macro seed crystals using either the dry or wet method is a highly time-, energy- and material-intensive process, often taking many hours to prepare a 1 L seed slurry. The focus of this work is to examine whether how the seed slurry is made up could have any effect on the final crystal properties. We divide the seed slurry into two parts: the “saturation part” corresponds to the amount of solute required to establish solid–liquid equilibrium and is fully dissolved, and the “supersaturation part” involves a small amount of solid seed crystals in excess of the equilibrium saturation condition. The hypothesis states that if dissolved seed crystals have lost their surface properties (such as size, morphology, interfacial effects), the final crystal size distributions would then inherit that of the solid seed crystals. If this is true, this would provide a great and efficient shortcut for the lengthy and energy-intensive process of making up seed slurries, as product crystals from a previous batch of any size distribution could be used for the make-up of the saturation part of the seed slurry. Using adipic acid and L-glutamic acid with high and low solubilities, the hypothesis has been validated experimentally under batch conditions.
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Metabolochemical Recovery Landscapes in Human Exercise: A Public LC-MS Reanalysis of Race-Walking and Endurance Exercise Datasets
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Ekaitz Dudagoitia Barrio, Francisca Villanueva-Flores and Igor Garcia-Atutxa
AppliedChem 2026, 6(3), 48; https://doi.org/10.3390/appliedchem6030048 - 17 Jul 2026
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Exercise induces rapid systemic metabolic perturbations, but the chemical organization of post-exercise recovery remains incompletely resolved across public LC-MS datasets. Here, we performed a public-data reanalysis of human exercise metabolomics to determine whether named metabolites can be organized into chemically interpretable recovery landscapes.
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Exercise induces rapid systemic metabolic perturbations, but the chemical organization of post-exercise recovery remains incompletely resolved across public LC-MS datasets. Here, we performed a public-data reanalysis of human exercise metabolomics to determine whether named metabolites can be organized into chemically interpretable recovery landscapes. The primary dataset was the Metabolomics Workbench race-walking study ST003348/PR002083, which includes serum LC-MS profiles from race-walking athletes sampled at rest, immediately after exercise, and after 3 h and 22 h of recovery. Two independent public exercise datasets, ST003662/PR002271 and ST001789/PR001133, were used to externally validate the direction of change. Named features were deduplicated by RefMet identity, log2 fold-changes were estimated with paired subject-level contrasts, and false-discovery-rate correction was applied within each time point. We assigned rule-based chemical classes and summarized residual 22 h displacement as the median absolute paired log2 fold-change within each chemical class. This quantity was used only as a transparent descriptive aggregation of the observed 22 h contrasts, not as an independent, validated, or outcome-linked recovery index. In the primary dataset, 561 deduplicated features were retained from 19 subjects with a complete time point structure. Immediate post-exercise perturbation was detected in 188 features, whereas only seven features remained significantly displaced at 22 h. Lipids and lipid mediators showed the largest immediate chemical-class perturbation, while vitamins/steroids/signaling molecules and lipids had the highest class-level residual 22 h displacement—kinetic classification identified 180 acute-and-recovered features, 33 delayed/3 h-dominant features, and seven persistent features. External validation was strongest in the independent plasma running dataset ST001789, where primary acute responders showed 90.7% sign concordance at Time 0 and 75.9% at 60 min. By contrast, the DBS/VAMS dataset ST003662 showed weak and non-significant direction-of-change concordance, indicating limited transportability to that matrix/protocol. Overall, this study does not claim discovery of new exercise metabolites or pathways; it provides a reproducible applied chemistry framework for describing exercise recovery as a structured metabolochemical process rather than a purely physiological endpoint.
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In Vitro Antioxidant Activity and In Silico Molecular Docking Analysis of Phenolic Compounds Identified in Peels from Algerian Potato Varieties
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Tassadit Sahki, Fatiha Brahmi, Rachida Amokrane-Aidat, Ilyas Yildiz, Fatima Djenad, Yasmine Achat, Lila Boulekbache-Makhlouf and Inmaculada Mateos-Aparicio
AppliedChem 2026, 6(3), 47; https://doi.org/10.3390/appliedchem6030047 - 9 Jul 2026
Abstract
This investigation assessed the phenolic composition, and the in vitro and in silico antioxidant potential of peels from six potato varieties (Arizona, Spunta, Fabula, Manito, Argos, and Touareg) cultivated in Algeria. 80% ethanol was applied to macerate potato peels, and standard procedures were
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This investigation assessed the phenolic composition, and the in vitro and in silico antioxidant potential of peels from six potato varieties (Arizona, Spunta, Fabula, Manito, Argos, and Touareg) cultivated in Algeria. 80% ethanol was applied to macerate potato peels, and standard procedures were followed for phytochemical analyses. The in vitro antioxidant capacity was evaluated by the scavenging methods of DPPH (1,1-diphenyl-2-picrylhydrazil) and ABTS ((2,2′-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid)) radicals. AutoDock Vina was employed to perform molecular docking analyses. LC–MS/MS analyses revealed significant variability in phenolic compounds among the varieties, with chlorogenic acid being the predominant compound, reaching the highest concentration in Touareg peels (51.28 µg/g). The Manito variety exhibited the highest total phenolic and flavonoids contents of 643.53 ± 2.59 mg GAE/100 g DW and 144.42 ± 2.40 mg QE/100 g DW, respectively and the strongest ABTS radical scavenging activity (IC50 = 473.81 ± 1.35 µg/mL). Molecular docking analysis suggested potential interactions of catechin and chlorogenic acid with oxidative stress-related enzymes namely myeloperoxidase, xanthine oxidase, and 5-lipoxygenase, providing complementary insights into their possible biological relevance. The integration of in vitro and in silico results demonstrates that the Manito variety is the most promising candidate for the sustainable valorization of potato peels as a natural source of antioxidants.
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(This article belongs to the Special Issue Analytical Chemistry: Fundamentals, Current and Future Applications)
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Green Extraction of Chitin from Deep-Water Red Shrimp (Aristeus antennatus) By-Products via Lactic Acid or Non-Lactic Acid Fermentation, Recovery Optimization, and Chitin Conversion into Chitosan to Produce Chitosan-Based Biofilms
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Giovanna Ficano, Ilaria Maria Cigognini, Elena Peluso, Chiara Zurlini and Domenico Cacace
AppliedChem 2026, 6(3), 46; https://doi.org/10.3390/appliedchem6030046 - 7 Jul 2026
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The increasing demand for seafood over the years has led to an increase in by-products produced by the seafood processing sector. These by-products, which can represent up to 70% of processed products, are rich in nutrients and bioactive compounds, allowing them to be
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The increasing demand for seafood over the years has led to an increase in by-products produced by the seafood processing sector. These by-products, which can represent up to 70% of processed products, are rich in nutrients and bioactive compounds, allowing them to be used in several sectors, such as food, packaging, cosmetics and pharmaceutics, provided that recovery occurs in an eco-friendly manner. In the present work, two lactic acid bacteria (Lactobacillus lactis and L. brevis) and the yeast Yarrowia lipolytica, which are organisms capable of producing organic acids and proteases during the fermentation process, were used separately to extract chitin from deep-water shrimp (Aristeus antennatus) by-products. The results showed that L. lactis was the most effective microorganism in removing both the mineral and protein fractions; therefore, it was chosen to optimize the chitin extraction technique, after which chitin was eventually converted into chitosan. The obtained chitosan showed a deacetylation degree (DDA%) of 82%, indicating good film-forming capacity. The developed biological technique allowed the valorization of shrimp by-products by recovering chitin and eventually chitosan, allowing us to produce biofilms that could help prolong seafood shelf life and, from a circular economy point of view, contributing further to promoting the sustainability of the production sector.
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Open AccessArticle
Synthesis and Antimicrobial Evaluation of Chlorinated Chalcone Derivatives
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Yordanka B. Ivanova, Trayana S. Nedeva, Iliyana K. Rasheva, Stanimira T. Ivanova, Viliana D. Miteva, Ekaterina I. Todorova and Ognyan I. Petrov
AppliedChem 2026, 6(3), 45; https://doi.org/10.3390/appliedchem6030045 - 6 Jul 2026
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A series of chlorinated chalcone derivatives containing oxazole and thiazole rings were synthesized via Claisen–Schmidt condensation of 6-acetyl-2(3H)-benzoxa(thia)zolone with substituted chlorobenzaldehydes. The synthesized compounds were evaluated for their antimicrobial activity against selected bacterial and fungal strains. Several compounds demonstrated moderate antimicrobial
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A series of chlorinated chalcone derivatives containing oxazole and thiazole rings were synthesized via Claisen–Schmidt condensation of 6-acetyl-2(3H)-benzoxa(thia)zolone with substituted chlorobenzaldehydes. The synthesized compounds were evaluated for their antimicrobial activity against selected bacterial and fungal strains. Several compounds demonstrated moderate antimicrobial activity against the tested microorganisms.
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(This article belongs to the Special Issue Advances in Medicinal Chemistry for Drug Discovery and Development)
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Open AccessArticle
Chemical Composition, Thermal Behavior, and Structural Characteristics of Lupinus mutabilis Sweet Flours from the Southern Peruvian Andes
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Fredy Taipe-Pardo, Jhoel Flores Alvarez, Yasmine Diaz Barrera, Dannya Arone Palomino, Yesica Quispe Fuentes and Mirian E. Obregón-Yupanqui
AppliedChem 2026, 6(3), 44; https://doi.org/10.3390/appliedchem6030044 - 2 Jul 2026
Abstract
Andean crops can be efficiently incorporated into food industrialization after the characterization of their components. This study evaluated tarwi (Lupinus mutabilis Sweet) flours from three ecotypes: PNTF (punto negro), WTF (white), and MTF (moro), with a particle size of 125 µm, analyzing
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Andean crops can be efficiently incorporated into food industrialization after the characterization of their components. This study evaluated tarwi (Lupinus mutabilis Sweet) flours from three ecotypes: PNTF (punto negro), WTF (white), and MTF (moro), with a particle size of 125 µm, analyzing their color, proximate composition, amino acid profile, bioactive compounds, and spectroscopic, thermal, and microstructural properties. Significant differences among ecotypes were determined at p < 0.05. The white ecotype showed greater accumulation in Dx (50), while black point exhibited the highest Dx (90), indicating a higher proportion of large particles. Regarding color, WTF presented the highest lightness and whiteness index, PNTF intermediate values, and MTF the darkest coloration, with greenish tones in black point and reddish tones in moro. The MTF ecotype showed the highest protein content (56.28%) and higher levels of essential amino acids, with methionine being the limiting amino acid. It also contained phenolic compounds ranging from 29.97 to 35.49 mg GAE/100 g, flavonoids from 9.36 to 10.8 mg quercetin/100 g, and antioxidant capacity measured by DPPH ranging from 25.79 to 55.30 mg TE/100 g, particularly notable in MTF. PNTF stood out for its dietary fiber (5.93%) and carbohydrate (17.22%) content. Infrared spectroscopy analysis revealed a similar macromolecular fingerprint among the samples. Differential Scanning Calorimetry (DSC) and Thermogravimetric Analysis (TGA) indicated greater thermal stability in MTF. Scanning Electron Microscopy (SEM) revealed greater compaction of irregular particles in MTF and greater dispersion in PNTF. These results support the differentiated valorization of tarwi ecotypes as complementary raw materials for the development of high-value-added foods in the current food industry.
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(This article belongs to the Special Issue Analytical Chemistry: Fundamentals, Current and Future Applications)
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Open AccessArticle
Molecular Docking Study of Praeruptorin A-H and Qianhucoumarin A-J Binding to Divalent Metal Transporter-1 (DMT1)
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Gérard Vergoten and Christian Bailly
AppliedChem 2026, 6(3), 43; https://doi.org/10.3390/appliedchem6030043 - 1 Jul 2026
Abstract
The divalent metal transporter DMT1 (SLC11A2) is implicated in diverse human pathologies including cancers, inflammatory and degenerative diseases. Small molecules targeting this membrane protein are actively searched. Following the identification of the pyranocoumarin praeruptorin A as an inhibitor of ferroptosis that is able
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The divalent metal transporter DMT1 (SLC11A2) is implicated in diverse human pathologies including cancers, inflammatory and degenerative diseases. Small molecules targeting this membrane protein are actively searched. Following the identification of the pyranocoumarin praeruptorin A as an inhibitor of ferroptosis that is able to bind to DMT1, we have investigated the interaction of related natural products with DMT1 using molecular modeling to determine structure-binding relationships. Two series of compounds were tested: praeruptorins A-H and qianhucoumarins A-J, all isolated previously from the roots of the Chinese medicinal plant Peucedanum praeruptorum Dunn (Bai-Hua Qian-Hu). The antitumor compound praeruptorin C was identified as the best DMT1 ligand in the series, with a binding capacity largely superior to that of praeruptorin A and also well superior to the reference organoselenium product ebselen, at least from an in silico perspective. Praeruptorin C, and to a lower extent praeruptorins F and H, can form stable complexes with DMT1 upon binding close to the ebselen binding site. Qianhucoumarins C and I were also identified as potential binders. Altogether, the analysis of the 18 natural products enabled identification of structural elements implicated in the target binding process. The curvature of the tricyclic pyranocoumarin scaffold and the angeloyl side chain at position 9 seem to contribute importantly to the protein interaction. An experimental validation is required but the docking study paves the way to the discovery and design of tricyclic coumarin derivatives targeting DMT1.
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(This article belongs to the Special Issue Advances in Medicinal Chemistry for Drug Discovery and Development)
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Comparative Secondary Metabolite Analysis and Antimicrobial Assessment of Agastache foeniculum (Pursh) Kuntze Leaf and Flower Extracts
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Judit Csabai, Oleksandra Kolesnyk, Maryna Kryvtsova, Oleh Kolesnyk, Judit Dobránszki, Zsolt Tibor Hörcsik, Béla Szabó, Edit Kosztyuné Krajnyák and Zoltán Cziáky
AppliedChem 2026, 6(3), 42; https://doi.org/10.3390/appliedchem6030042 - 1 Jul 2026
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Agastache foeniculum (Pursh) Kuntze, a member of the Lamiaceae family, is a phytochemically rich yet underexplored species with potential biomedical applications. This study aimed to provide an organ-specific chemical characterization of its secondary metabolites and to evaluate the antimicrobial potential of ethanolic extracts
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Agastache foeniculum (Pursh) Kuntze, a member of the Lamiaceae family, is a phytochemically rich yet underexplored species with potential biomedical applications. This study aimed to provide an organ-specific chemical characterization of its secondary metabolites and to evaluate the antimicrobial potential of ethanolic extracts derived separately from its leaves and flowers. Using UHPLC-MS/MS, we identified a total of 54 compounds, including phenolic acids and flavonoids. In total, 35 compounds in the flower extract and 38 in the leaf extract were reported here for the first time. The antimicrobial activity of both extracts was tested against six multidrug-resistant (MDR) clinical bacterial isolates (Staphylococcus aureus, Enterococcus faecalis, Escherichia coli, Citrobacter freundii, Achromobacter xylosoxidans, and Acinetobacter baumannii) using seven concentration levels (12.5–87.5%). While the leaf extract showed limited antibacterial effects, the flower extract demonstrated stronger, concentration-dependent inhibitory effects. At concentrations of 62.5% and above, it markedly reduced viable bacterial counts in all tested MDR strains. These findings highlight the importance of organ-specific phytochemical analysis in medicinal plants and suggest that A. foeniculum, particularly its flowers, may serve as a promising source of bioactive compounds for further antimicrobial research and development.
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Open AccessArticle
Analytical and Organoleptic Evaluation of Caffeinated Grape Must
by
Rita Székelyhidi and Beatrix Sik
AppliedChem 2026, 6(2), 41; https://doi.org/10.3390/appliedchem6020041 - 18 Jun 2026
Abstract
This study aimed to produce, analyze, and evaluate the consumer acceptance of caffeine-enriched (15, 30, 60, and 90 mg/100 mL) grape must, which does not contain any added sweeteners or preservatives, to meet today’s popular health-conscious consumer trends. Regarding acid composition, the musts
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This study aimed to produce, analyze, and evaluate the consumer acceptance of caffeine-enriched (15, 30, 60, and 90 mg/100 mL) grape must, which does not contain any added sweeteners or preservatives, to meet today’s popular health-conscious consumer trends. Regarding acid composition, the musts contained malic acid (426.96–491.58 mg/100 mL) and succinic acid (74.53–84.79 mg/100 mL). Musts are regarded as water-soluble sugars, containing only glucose (6158.81–9417.09 mg/100 mL) and fructose (6798.37–10,482.53 mg/100 mL), which are typical in fruits. The must’s TPC and TAC contents were determined to be between 11.42 and 14.14 mg GAE/100 mL, and 8.14 and 11.80 mg AAE/100 mL, respectively. During the analysis of caffeine content, recovery values of 93.89–96.98% were determined. The must samples containing 60 and 90 mg/100 mL caffeine had too intense a bitter flavor; thus, the enjoyment value of the products was reduced based on consumer feedback. The must containing 15 mg/100 mL of caffeine had the most favorable organoleptic properties.
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(This article belongs to the Special Issue Analytical Chemistry: Fundamentals, Current and Future Applications)
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Open AccessArticle
Synthesis of Polysulfone/PVP/Metal–Organic Framework Membranes for Batik Wastewater Treatment
by
Sutrasno Kartohardjono, Angelia Angelia, Shakila Salma Hanifa, Khalila Siti Bramantyo and Woei Jye Lau
AppliedChem 2026, 6(2), 40; https://doi.org/10.3390/appliedchem6020040 - 17 Jun 2026
Abstract
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This study produced and analyzed composite membranes composed of polysulfone (PSf), polyvinylpyrrolidone (PVP) and Metal–Organic Framework (ZIF-8) for treating effluent generated by the Batik industry. The incorporation of ZIF-8 was performed to enhance membrane efficiency. The findings indicated that ZIF-8 markedly enhanced hydrophilicity
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This study produced and analyzed composite membranes composed of polysulfone (PSf), polyvinylpyrrolidone (PVP) and Metal–Organic Framework (ZIF-8) for treating effluent generated by the Batik industry. The incorporation of ZIF-8 was performed to enhance membrane efficiency. The findings indicated that ZIF-8 markedly enhanced hydrophilicity and pure water flux of membranes. The M-0.5 membrane containing 0.5 g of ZIF-8 demonstrated superior performance, with a water contact angle of 49.4° and a porosity of 83.5%. In contrast, the ZIF-8-free membrane (M-0) displayed a water contact angle and porosity of 66.3° and 76.7%, respectively. These combined characteristics enabled the M-0.5 membrane to achieve the highest pure water flux of 197.1 L m−2 h−1 at 5 bar. All membranes attained complete total suspended solids (TSS) rejection at 100% efficiency. Turbidity rejection rates ranged from 75% to 92%, whilst color rejection rates ranged from 65.7% to 87.6%. The maximum chemical oxygen demand (COD) rejection observed was 57.9%, achieved by the M-0.25 membrane (0.25 g of ZIF-8) at an operational pressure of 4 bar. Meanwhile, for permeability and hydrophilicity, the ideal loading is 0.5 g of ZIF-8 (M-0.5). This concentration yielded the optimal equilibrium of porosity (83.5%), the minimal water contact angle (49.4°), and the maximal pure water flux (197.1 L m−2 h−1). Nonetheless, the TDS rejection rate was rather low at 8.0–21.1%. The membrane effectively preserved effluent pH stability between 7.9 and 8.3. The aggregation of ZIF-8 at elevated concentrations diminished mechanical strength and selectivity. Additional optimization is required to equilibrate these performance indicators.
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Open AccessArticle
Molecular Docking and ADMET Prediction of Small Molecules Targeting Proteins Involved in Alzheimer’s Disease
by
Emilio Mateev, Stefan Kostov, Valentin Karatchobanov, Magdalena Kondeva-Burdina and Maya Georgieva
AppliedChem 2026, 6(2), 39; https://doi.org/10.3390/appliedchem6020039 - 4 Jun 2026
Abstract
Alzheimer’s disease (AD) is a multifactorial neurodegenerative disorder characterized by the accumulation of the toxic protein amyloid-β, formation of tau-containing neurofibrillary tangles, neuroinflammation, and synaptic dysfunction, highlighting the need for new therapeutic strategies capable of modulating multiple pathological pathways simultaneously. In this study,
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Alzheimer’s disease (AD) is a multifactorial neurodegenerative disorder characterized by the accumulation of the toxic protein amyloid-β, formation of tau-containing neurofibrillary tangles, neuroinflammation, and synaptic dysfunction, highlighting the need for new therapeutic strategies capable of modulating multiple pathological pathways simultaneously. In this study, a structure-based in silico approach was applied to evaluate the multi-target potential of two previously reported pyrrole-based compounds (pyrrole 1 and pyrrole 2) with known monoamine oxidase-B (MAO-B) inhibitory activity and low neurotoxicity. Molecular docking studies were performed against a panel of key AD-related targets, including GSK-3β, APP, MAO-B, BACE1, AChE, BChE, COX-2, GABA-B receptor, NMDA receptor, and E3 ubiquitin ligase CHIP, using Glide XP docking. The results revealed that compound pyrrole 1 may have favorable predicted binding affinities across several targets, with relatively strong docking scores for GSK-3β and COX-2. The binding mode analysis indicated that pyrrole 1 adopts poses consistent with interaction patterns commonly observed for ATP-competitive GSK-3β inhibitors and COX-2 ligands. In silico ADMET profiling using the software SwissADME and ProTox 3.0 indicated distinct pharmacokinetic and safety profiles for the two compounds, with pyrrole 2 showing superior drug-likeness and predicted blood–brain barrier penetration, while pyrrole 1 displayed a more favorable overall toxicity profile. Collectively, these findings identify pyrrole 1 as a theoretically promising multi-target candidate for AD requiring experimental validation, while providing a strong structural basis for further optimizations and subsequent experimental confirmation.
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(This article belongs to the Special Issue Advances in Medicinal Chemistry for Drug Discovery and Development)
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Open AccessArticle
Upcycling rPET from Water Bottles into 3D-Printable Filament via Reactive Extrusion and Chain Extension
by
Christina Podara, Eleni Gkartzou, Christos Tsirogiannis, Theodoros Gkikarakis and Costas Charitidis
AppliedChem 2026, 6(2), 38; https://doi.org/10.3390/appliedchem6020038 - 3 Jun 2026
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The recycling of polyethylene terephthalate (PET) into value-added products suitable for additive manufacturing remains challenging due to molecular degradation and insufficient melt strength. In this study, post-consumer recycled PET was upcycled via chain extension to develop filaments suitable for fused filament fabrication (FFF).
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The recycling of polyethylene terephthalate (PET) into value-added products suitable for additive manufacturing remains challenging due to molecular degradation and insufficient melt strength. In this study, post-consumer recycled PET was upcycled via chain extension to develop filaments suitable for fused filament fabrication (FFF). Two chain extenders were evaluated: an epoxy-based multifunctional oligomer (Joncryl® ADR-4468) and a tetrafunctional aromatic dianhydride (pyromellitic dianhydride, PMDA). Joncryl® ADR-4468 increased the complex viscosity and viscoelastic moduli of rPET; however, the response was non-monotonic and resulted in limited filament dimensional stability. In contrast, rPET/vPET (70/30) blends modified with PMDA exhibited a pronounced and reproducible enhancement in melt viscosity and elasticity, enabling the production of a continuous filament with a stable diameter (1.75 ± 0.05 mm). Differential scanning calorimetry indicated that PMDA had a negligible effect on the glass transition temperature, while slightly reducing crystallinity, which is beneficial for FFF processing. Preliminary printing trials confirmed stable extrusion and controlled deposition behaviour for the PMDA-modified formulation. Overall, the results demonstrate that chain extension using PMDA is an effective strategy to restore melt processability and enable the use of recycled PET in filament-based additive manufacturing.
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Open AccessArticle
Effect of Corona Treatment on Polyphenol Release from Polylactic Acid Films
by
Maria Marudova, Sofia Milenkova, Vanesa Koycheva, Krastena Nikolova, Natalina Panova and Asya Viraneva
AppliedChem 2026, 6(2), 37; https://doi.org/10.3390/appliedchem6020037 - 2 Jun 2026
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The release kinetics of functional compounds from active packaging systems plays a crucial role in determining their efficiency, as it directly affects the availability of the incorporated agents and the extension of the product’s shelf life. Therefore, controlled release behaviour is essential for
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The release kinetics of functional compounds from active packaging systems plays a crucial role in determining their efficiency, as it directly affects the availability of the incorporated agents and the extension of the product’s shelf life. Therefore, controlled release behaviour is essential for optimizing the functionality of such materials. In the present study, corona treatment was used as a surface modification technique to tailor the release behaviour of polyphenols—curcumin, quercetin, and rutin—from polylactic acid (PLA) films. Polyphenol release was performed in a model medium (3% acetic acid), and the experimental data were fitted using commonly applied kinetic models to elucidate the release mechanism. The results indicate that corona-treated films exhibit significantly accelerated release kinetics and higher cumulative release compared to untreated samples. To interpret the observed behaviour, different surface characterization techniques were applied. Scanning electron microscopy (SEM) revealed only minor changes in the morphology of the uncharged and charged samples, which are unlikely to account for the observed differences in the release behaviour. Fourier transform infrared spectroscopy (FT-IR) confirmed that corona treatment has led to formation of new peaks in PLA spectrum and change in the shape and intensity in PLA–polyphenol loaded films. Contact angle measurements demonstrated increased surface wettability after treatment. These changes are associated with enhanced polymer–medium interactions and improved mobility of the incorporated polyphenols, leading to accelerated release. These findings demonstrate that corona treatment is an effective strategy for tuning the release kinetics of PLA-based systems. The developed materials show strong potential for use in active packaging applications, where controlled release of antioxidant compounds is essential for extending product shelf life.
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