Molecules

12 pages, 2649 KB

Open AccessArticle

Potassium-Modulated Ni Catalysts for Enhanced Hydrogen Production from Textile Waste via Microwave Pyrolysis

by Xiange Wu, Yuxing Huang, Bo Zhang, Junhao Chen, Jingran Xia, Rui Bai and Wuwan Xiong

Molecules 2026, 31(14), 2443; https://doi.org/10.3390/molecules31142443 (registering DOI) - 12 Jul 2026

The conversion of waste textiles into valuable products is an effective route to mitigate low-value solid waste accumulation and recover energy. In this work, nickel and potassium were introduced into textile waste via an impregnation method, and their roles in microwave-assisted catalytic pyrolysis [...] Read more.

The conversion of waste textiles into valuable products is an effective route to mitigate low-value solid waste accumulation and recover energy. In this work, nickel and potassium were introduced into textile waste via an impregnation method, and their roles in microwave-assisted catalytic pyrolysis were investigated with a focus on hydrogen production. The results show that co-loading 1 wt.% Ni and 0.4 wt.% K significantly enhances gas formation, with a total gas yield of 67.47% and a hydrogen yield of 52.57 mmol/g. Hydrogen production was markedly improved compared with the untreated textiles, the physical mixing methods, and the conventional pyrolysis. Structural characterization by XRD and SEM mapping confirmed that K addition effectively suppressed the agglomeration of Ni species. FTIR analysis suggests that a synergistic catalytic effect between K and Ni promotes the conversion of macromolecular components into smaller gaseous products. The improved hydrogen production can be associated with the combined effect of enhanced Ni dispersion and promoted decomposition reactions. This work provides new insights into the design of alkali-promoted Ni catalysts for efficient hydrogen production from textile waste under microwave pyrolysis conditions. Full article

(This article belongs to the Special Issue Agricultural and Food Residues: Treatment and Valorization of By-Products and Wastes)

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22 pages, 5788 KB

Open AccessArticle

Cold Storage and Drying Alter Polar Metabolite Profiles in Commercial Sprouts of Eight Plant Species

by Lesław Bernard Lahuta, Karolina Stałanowska and Marcin Horbowicz

Molecules 2026, 31(14), 2442; https://doi.org/10.3390/molecules31142442 (registering DOI) - 12 Jul 2026

Abstract

The application of the gas chromatography coupled to mass spectrometry (GC-MS) has been applied for metabolite profiling in sprouts of Brassicaceae (broccoli, kale, radish), sunflower, and Fabaceae (alfalfa, clover, lentil, and mung bean). Soluble carbohydrates were quantitatively the major fraction of total polar [...] Read more.

The application of the gas chromatography coupled to mass spectrometry (GC-MS) has been applied for metabolite profiling in sprouts of Brassicaceae (broccoli, kale, radish), sunflower, and Fabaceae (alfalfa, clover, lentil, and mung bean). Soluble carbohydrates were quantitatively the major fraction of total polar metabolites in Brassicaceae and sunflower sprouts. The main sugars in sunflower, mung bean, and Brassicaceae sprouts were fructose and glucose, while in clover, alfalfa, and lentil sprouts, the dominant sugar was sucrose. Myo-inositol was found in the sprouts of all analyzed species, while d-chiro-inositol, epi-inositol, or scyllo-inositol, as well as d-pinitol, were present in the sprouts of some legumes. Among the amino acids in clover and alfalfa sprouts, asparagine, serine, and threonine were quantitatively dominant. During cold storage of sprouts or their drying, a decrease in the content of monosaccharides and an increase in the levels of sucrose were found. Furthermore, such conditions of sprouts storage caused an accumulation of raffinose, proline, and γ-aminobutyric acid. The reduction in the content of monosaccharides and the increase in the content of free amino acids in dried sprouts is new information. Moreover, information about the small effects of low-temperature storage and drying of sprouts on the content of cyclitols seems to be valuable. Full article

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17 pages, 2468 KB

Open AccessArticle

New Aromatic Abietane Diterpenoids from Lycopus europaeus L. Fruits: ¹H NMR Simulation-Aided Structure Elucidation and Enzyme Inhibition Screening

by Marija S. Genčić, Danijela N. Nikolić, Jelena D. Živanović, Jelena M. Denić and Niko S. Radulović

Molecules 2026, 31(14), 2441; https://doi.org/10.3390/molecules31142441 (registering DOI) - 12 Jul 2026

Abstract

The fruits of Lycopus europaeus L. represent an unusual source of highly oxygenated aromatic abietane diterpenoids. Following our previous identification of euroabienol (1) from this plant material, a phytochemical reinvestigation of the dichloromethane fruit extract was undertaken to characterize related minor [...] Read more.

The fruits of Lycopus europaeus L. represent an unusual source of highly oxygenated aromatic abietane diterpenoids. Following our previous identification of euroabienol (1) from this plant material, a phytochemical reinvestigation of the dichloromethane fruit extract was undertaken to characterize related minor constituents. Three new aromatic abietane diterpenoids, 4-epileonubiastrin (2), 3α-acetoxyeuroabienol (3), and 11-deoxyeuroabienol (4), were isolated together with euroabienol (1). Their structures and relative configurations were established by MS, HRMS, IR, and extensive 1D and 2D NMR analyses. Manual iterative full spin analysis of selected ¹H NMR spin systems enabled refined determination of chemical shifts and coupling constants and provided additional support for conformational and configurational assignments, particularly in structurally congested parts of the molecules. To obtain a preliminary indication of biological relevance, compounds 1–4 and the semisynthetic O-methylated euroabienol derivative 5 were evaluated for acetylcholinesterase and urease inhibition. The observed effects were modest: compound 2 showed the highest AChE inhibition, reaching 31% at 50 μM, whereas compound 4 was the most active against jack bean urease, producing 40% inhibition at 100 μM. The study expands current knowledge of L. europaeus fruit diterpenoids and illustrates the value of ¹H NMR simulation as a complementary tool in the elucidation of closely related abietane natural products. Full article

(This article belongs to the Section Natural Products Chemistry)

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18 pages, 1931 KB

Open AccessArticle

In Vitro Study of Probiotic Properties and Safety Aspects of Saccharomyces Yeast Strains Isolated from Traditional Fermented Food in Algeria

by Ahmed Ararem, Adam Staniszewski, Abderrahmane Houicher and Monika Kordowska-Wiater

Molecules 2026, 31(14), 2440; https://doi.org/10.3390/molecules31142440 (registering DOI) - 12 Jul 2026

Abstract

Algerian fermented foods represent a precious source of indigenous yeasts with potentially probiotic properties, which can serve as regional, functional starter cultures. The aim of the present research is to isolate and genetically identify strains obtained from traditional fermented foods and investigate their [...] Read more.

Algerian fermented foods represent a precious source of indigenous yeasts with potentially probiotic properties, which can serve as regional, functional starter cultures. The aim of the present research is to isolate and genetically identify strains obtained from traditional fermented foods and investigate their probiotic properties and safety aspects in vitro. The molecular identification revealed fifteen S. cerevisiae strains obtained from sourdoughs and marinated peppers samples. All tested strains showed the ability to grow at 37 °C and to survive well at 0.3% (w/v) bile salts with high resistance to pH 2.5. The auto-aggregation rates of tested strains reached 93.90% after 24 h of incubation, while seven of fifteen strains showed high hydrophobicity values in xylene (44.60–58.90%), indicating their ability to survive and to adhere to the host intestinal mucosa. All S. cerevisiae isolates showed a good antioxidant activity and exhibited varying levels of antibacterial activity, but not against Listeria innocua. A lack of hemolysis, gelatinase, protease and phospholipase was recorded for all tested strains, while a strong phytase activity was observed in these strains, which may enhance mineral availability and reduce antinutritional effects of plant-based food. Based on these results, five S. cerevisiae strains showed promising probiotic properties and safety aspects, which can be used as potential probiotic strains in functional food industries and/or in the medical field. Full article

(This article belongs to the Special Issue Probiotics and Other Functional Microorganisms in Food Quality and Nutrition)

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53 pages, 11494 KB

Open AccessReview

Recent Progress in the Sustainable Synthesis of Imidazole Derivatives: Advances in Multicomponent Reactions, Catalysis, and Green Chemistry

by Altynay B. Kaldybayeva, Timur T. Shapinov, Feyyaz Durap and Valentina K. Yu

Molecules 2026, 31(14), 2439; https://doi.org/10.3390/molecules31142439 (registering DOI) - 11 Jul 2026

Abstract

Imidazole derivatives represent a privileged class of nitrogen-containing heterocycles that continue to attract considerable attention owing to their structural versatility, synthetic accessibility, and wide range of applications in medicinal chemistry, materials science, catalysxis, and corrosion inhibition. In recent years, significant efforts have been [...] Read more.

Imidazole derivatives represent a privileged class of nitrogen-containing heterocycles that continue to attract considerable attention owing to their structural versatility, synthetic accessibility, and wide range of applications in medicinal chemistry, materials science, catalysxis, and corrosion inhibition. In recent years, significant efforts have been directed towards the development of efficient, sustainable, and experimentally simple synthetic methodologies for substituted imidazoles. This review summarizes and critically evaluates recent advances (mainly from 2021 onward) in the synthesis of imidazole derivatives, with particular emphasis on multicomponent reactions, especially the Debus–Radziszewski condensation. Catalyst-free protocols, organocatalysts, metal-based catalysts, nanocatalysts, and ionic liquids are systematically discussed and compared. In addition, alternative two- and three-component strategies that enable access to nonclassical substitution patterns are reviewed. The advantages and limitations of each approach are highlighted with respect to reaction efficiency, substrate scope, sustainability, and practical applicability. This review aims to serve as a comprehensive reference for synthetic chemists seeking rational strategies for the preparation of structurally diverse imidazole derivatives. Full article

(This article belongs to the Special Issue Synthesis and Derivatization of Heterocyclic Compounds)

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14 pages, 791 KB

Open AccessArticle

Electrostatic Potential at Nuclei vs. Atomic Charges as Descriptors of Hydrogen-Bond Basicity of Molecules

by Ivan V. Atanasov, Diana Cheshmedzhieva, Sonia Ilieva, Boris Galabov and Henry F. Schaefer III

Molecules 2026, 31(14), 2438; https://doi.org/10.3390/molecules31142438 (registering DOI) - 11 Jul 2026

Abstract

In this work, we comparatively assess the utility of electrostatic potential at nuclei (V_n) and several frequently used atomic partial charge schemes for describing hydrogen-bond basicity. This is accomplished with a total of 114 examples across four classes of molecules: [...] Read more.

In this work, we comparatively assess the utility of electrostatic potential at nuclei (V_n) and several frequently used atomic partial charge schemes for describing hydrogen-bond basicity. This is accomplished with a total of 114 examples across four classes of molecules: ketones, ethers, nitriles, and substituted pyridine derivatives. Density functional theory calculations at the CPCM//PBE0-D3/def2-TZVPP level were employed to evaluate reactivity descriptors for the most basic site in each molecule. The effectiveness of the descriptors was assessed through their correlation with experimental basicity data. Three widely used partial charge models—Hirshfeld, CM5, and NPA—were considered. Strong correlations between both V_n and partial charges with basicity were observed across all four molecular classes. Notably, the electrostatic potential at the nucleus (V_n) consistently exhibits stronger correlations with the experimental pK_HB values than the partial charge models, highlighting its robustness as a quantitatively reliable descriptor of basicity across diverse organic systems. Both descriptors display inherent system dependence, and meaningful correlations with basicity are observed primarily within individual classes of compounds. Full article

(This article belongs to the Section Computational and Theoretical Chemistry)

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17 pages, 3041 KB

Open AccessArticle

Rare Earth Elements in the Soil–Grape–Wine System: Opportunities and Limitations for Geographical Origin Authentication

by Abakumov Aleksey, Temerdashev Zaual, Gipich Evgeniy and Scheludko Olga

Molecules 2026, 31(14), 2437; https://doi.org/10.3390/molecules31142437 (registering DOI) - 11 Jul 2026

Abstract

To establish the relationship between the composition of wine and its regional origin, the most stable chemical parameters are selected because their variation is easiest to trace. Together with “classical” micro- and macroelements, rare earth elements (REEs) can be used for such purposes. [...] Read more.

To establish the relationship between the composition of wine and its regional origin, the most stable chemical parameters are selected because their variation is easiest to trace. Together with “classical” micro- and macroelements, rare earth elements (REEs) can be used for such purposes. However, the relationship between REE content in wine and its regional origin has not been systematically studied. This study examines the migration of REEs in the “soil-grape-wine” system to identify the relationship along the entire chain and establish the geographical origin of grapes and wine. The research was carried out on grapes and wines from the Chardonnay and Cabernet Sauvignon varieties, as well as soil samples selected from different vineyards. The concentrations of La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb and Lu in the studied samples were determined using ICP-MS. It was established that the studied soil samples are characterized by relatively low REE concentrations. Low transfer of REEs from soil to grapes was observed because the soils are rich in clay minerals that firmly retain these elements. Statistically significant differences in the REE content of grapes from different regions were detected (p < 0.05). Multidimensional analysis methods allowed us to group grape samples into clusters based on varietal and regional origin. Discriminant analysis showed the possibility of using the concentration of REEs as markers of the geographical origin of grapes. Of all the REEs, only La and Ce are reliably established in all wines. When determining the geographical origin of wine, the use of REE content is limited due to their very low concentrations in wine. In this regard, it has been proposed to use them in combination with macro- and microelements, which improves the classification performance of the model. Full article

(This article belongs to the Special Issue Analytical Strategies for Food Authentication and Traceability)

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17 pages, 970 KB

Open AccessArticle

Diagnostic Ion-Guided Isolation and Characterization of Trace Periplocin-Derived Cardenolide Metabolites from Rat Urine

by Peng Zhao, Fanjiao Zuo, Caixia Li, Haoran Wu, Yingjing Zhao, Yanjin Li, Yameng Zhu, Ye Shang, Liqin Ding and Jun He

Molecules 2026, 31(14), 2436; https://doi.org/10.3390/molecules31142436 (registering DOI) - 11 Jul 2026

Abstract

Cardiac glycosides from Periplocae Cortex are bioactive constituents, but isolating and structurally confirming their trace in vivo metabolites remains challenging because authentic standards are often unavailable. We developed a steroid-core fragment-guided strategy based on the diagnostic ion at m/z 355.2270 that [...] Read more.

Cardiac glycosides from Periplocae Cortex are bioactive constituents, but isolating and structurally confirming their trace in vivo metabolites remains challenging because authentic standards are often unavailable. We developed a steroid-core fragment-guided strategy based on the diagnostic ion at m/z 355.2270 that integrates metabolite screening, targeted purification, and structural characterization. Periplocin-related analytes were detected in rat urine and plasma after oral periplocin administration using HPLC-QQQ-MS/MS and UPLC-Q-TOF-MS/MS. Guided by the diagnostic ion, 13 L of rat urine was fractionated using macroporous resin, Sephadex LH-20, ODS chromatography, and preparative HPLC. Two trace metabolites were isolated and identified as gomphogenin (M1, 4 mg) and 17α-asclepioside (M2, 8 mg) by HR-MS and NMR spectroscopy. Periplocin, periplogenin, and periplocymarin were confirmed using reference standards. Structural comparison supported a putative transformation pathway involving deglycosylation and steroid-core modification. In a hypoxia/reoxygenation-injured H9c2 cell model, M1 and M2 increased cell viability at 50 μM, supporting further evaluation using complementary cellular endpoints. This diagnostic-ion-guided workflow enables the targeted isolation of trace cardenolide metabolites from biological matrices and provides reference compounds for future pharmacokinetic and pharmacological studies. Full article

(This article belongs to the Section Analytical Chemistry)

22 pages, 5779 KB

Open AccessArticle

Selected Thieno[2,3-d] Pyrimidine Derivatives Target Breast Cancer Cell Proliferation and Membrane Organization

by Aleksandrina Nesheva, Ivan Iliev, Anelia Mavrova, Denitsa Yancheva, Aneliya Kostadinova, Severina Semkova, Albena Momchilova, Iana Tsoneva, Biliana Nikolova and Galya Staneva

Molecules 2026, 31(14), 2435; https://doi.org/10.3390/molecules31142435 (registering DOI) - 11 Jul 2026

Abstract

Breast cancer remains one of the leading causes of cancer-related mortality among women worldwide, highlighting the urgent need for novel therapeutic agents with improved efficacy and selectivity. In this study, we investigated the anticancer potential of selected thieno[2,3-d]pyrimidine-based hybrids in breast [...] Read more.

Breast cancer remains one of the leading causes of cancer-related mortality among women worldwide, highlighting the urgent need for novel therapeutic agents with improved efficacy and selectivity. In this study, we investigated the anticancer potential of selected thieno[2,3-d]pyrimidine-based hybrids in breast cancer cell models with different metastatic potential. The compounds were evaluated for their effects on cell viability, clonogenic survival, migration, cell-cycle progression, cytoskeletal organization, and plasma membrane organization. Several derivatives exhibited concentration-dependent antiproliferative activity, inhibited colony formation and cell migration, disrupted cytoskeletal integrity, and modulated plasma membrane organization. Cell-cycle analysis revealed compound- and cell line-dependent alterations in the distribution of cells across the G1, S, and G2/M phases. Among the tested compounds, derivatives 1, 5, and 6 displayed the most favorable biological profiles, combining antiproliferative activity with moderate selectivity toward breast cancer cells, whereas compound 2 exerted the most pronounced effects on plasma membrane organization and cell migration. Collectively, these findings identify selected thieno[2,3-d]pyrimidine-based hybrids as promising lead compounds for the development of novel anticancer agents targeting both tumor cell proliferation and plasma membrane organization. Full article

(This article belongs to the Special Issue The Anticancer Drugs: A New Perspective)

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17 pages, 2354 KB

Open AccessArticle

KI17: A Bioinspired Peptide Derived from Talisia esculenta with In Vitro Anticancer and Immunomodulatory Activities

by Ana Paula Ramos Pereira, Ana Cristina Jacobowski, Camila de Oliveira Gutierrez, Octávio Luiz Franco, Marlon Henrique Cardoso, Thaís de Andrade Farias Rodrigues, Rodrigo Juliano Oliveira, Priscila Aiko Hiane, Rita de Cássia Avellaneda Guimarães, Ana Paula de Araújo Boleti and Maria Lígia Rodrigues Macedo

Molecules 2026, 31(14), 2434; https://doi.org/10.3390/molecules31142434 (registering DOI) - 11 Jul 2026

Abstract

Cancer therapy remains limited by drug resistance and poor selectivity, while inflammation-driven tumor progression further complicates treatment outcomes. Antimicrobial peptides (AMPs) have emerged as promising therapeutic alternatives due to their multifunctional properties. In this study, we investigated the anticancer and immunomodulatory activities of [...] Read more.

Cancer therapy remains limited by drug resistance and poor selectivity, while inflammation-driven tumor progression further complicates treatment outcomes. Antimicrobial peptides (AMPs) have emerged as promising therapeutic alternatives due to their multifunctional properties. In this study, we investigated the anticancer and immunomodulatory activities of KI17, a rationally designed peptide derived from GL18, a peptide fragment identified from the talisin protein of Talisia esculenta. KI17 exhibited dose-dependent antiproliferative effects against murine and human melanoma (B16F10-Nex2, SK-MEL-2, A375) and cervical cancer (HeLa) cell lines, while displaying reduced cytotoxicity toward non-tumoral BV-2 microglial cells, resulting in a favorable selectivity index. Mechanistic analyses revealed that KI17 induces morphological alterations, mitochondrial dysfunction, caspase activation, and late-stage apoptosis, together with G0/G1 cell cycle arrest accompanied by accumulation of the Sub-G0 population, indicating coordinated regulation of cell death and cell cycle progression. KI17 effectively suppressed lipopolysaccharide (LPS)-induced microglial activation, markedly reducing pro-inflammatory cytokine and nitric oxide production without compromising cell viability. These biological activities are consistent with the peptide’s optimized physicochemical features, including increased cationicity, amphipathicity, and α-helical folding. Overall, our findings demonstrate that KI17 combines selective anticancer activity with potent immunomodulatory effects, highlighting its potential as a bioinspired peptide for further preclinical development in cancer therapy. Full article

(This article belongs to the Special Issue New Therapeutic Tools Against MDR Tumors: Discovery, Synthesis and Evaluation of Bioactive Compounds: 2nd Edition)

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14 pages, 4359 KB

Open AccessArticle

Development of a Hypoxia-Triggered Supramolecular Nanoplatform for Synergistic Hypoxia Alleviation and Amplified Photodynamic Cancer Therapy

by Ningning Luo, Yiliang Wu, Jiaxin Zheng, Chi Zhang, Xiaoyang Qian, Caoqing Ji, Aiqing Jiang, Yong Ling and Xin Liu

Molecules 2026, 31(14), 2433; https://doi.org/10.3390/molecules31142433 (registering DOI) - 11 Jul 2026

Abstract

Photodynamic therapy (PDT) represents a highly promising modality for cancer treatment; however, its clinical success is significantly restricted by the hypoxic nature of the tumor microenvironment (TME). Hypoxia also upregulates hypoxia-inducible factor-1α (HIF-1α) expression, thereby exacerbating tumor malignancy. To tackle this challenge, we [...] Read more.

Photodynamic therapy (PDT) represents a highly promising modality for cancer treatment; however, its clinical success is significantly restricted by the hypoxic nature of the tumor microenvironment (TME). Hypoxia also upregulates hypoxia-inducible factor-1α (HIF-1α) expression, thereby exacerbating tumor malignancy. To tackle this challenge, we engineered a hypoxia-activatable supramolecular nanoplatform (GH@CyNPs) capable of dual hypoxia reversal and amplification of PDT efficacy. The nanoplatform was constructed via host–guest interactions between a water-soluble pillar[5]arene (WP5) and an azobenzene-linked cyanine/YC-1 conjugate (Cy-G), followed by the co-encapsulation of glucose oxidase (GOx) and catalase (CAT). Upon entering the cancer cells via endocytosis, the azobenzene linker is specifically cleaved by the hypoxic TME, facilitating payload release. Concurrently, the released GOx/CAT pair drives in situ cascade reactions to generate oxygen (O₂), while YC-1 effectively suppresses HIF-1α expression, thereby achieving synergistic alleviation of hypoxia. Under irradiation, the released cyanine acts as a potent photosensitizer, generating abundant reactive oxygen species (ROS) to kill cancer cells. Both in vitro and in vivo evaluations corroborated that GH@CyNPs exhibit preferential tumor accumulation, profound antitumor efficacy, and excellent biocompatibility. This study presents an innovative paradigm for overcoming TME hypoxia to optimize photodynamic oncotherapy. Full article

(This article belongs to the Section Nanochemistry)

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13 pages, 1649 KB

Open AccessArticle

An Orthogonal ‘Clickable’ Xyloside Scaffold in ⁴C₁ and ¹C₄ Conformation

by Lorenz Pietsch, Sönke Sdunnus and Thisbe K. Lindhorst

Molecules 2026, 31(14), 2432; https://doi.org/10.3390/molecules31142432 (registering DOI) - 11 Jul 2026

Abstract

Glycoclusters are important molecular tools for studying carbohydrate–protein interactions. It is advantageous to derive glycoclusters from carbohydrate-based scaffolds. Modulating the chair conformation of the scaffolding monosaccharide between ⁴C₁ and ¹C₄ enables the variation in the spatial organisation of the [...] Read more.

Glycoclusters are important molecular tools for studying carbohydrate–protein interactions. It is advantageous to derive glycoclusters from carbohydrate-based scaffolds. Modulating the chair conformation of the scaffolding monosaccharide between ⁴C₁ and ¹C₄ enables the variation in the spatial organisation of the resulting glycoclusters, allowing the consequences for carbohydrate recognition in biological systems to be studied. Recently, we introduced a xylose derivative capable of adopting two complementary chair conformations, which was conjugated to glycoligands via Suzuki–Miyaura cross-coupling to afford homobivalent glycoclusters. Here, we expand this approach by further exploring the potential of xylose as a conformationally ‘switchable’ carbohydrate scaffold. Two additional features were introduced, (i) alkyne groups to facilitate conjugation reactions through click chemistry, and (ii) orthogonal protection to enable the synthesis of heterobivalent glycoclusters in addition to homobivalent analogues. This strategy enabled the synthesis of a focused library of homo- and heterobilvalent glycoclusters, which were subjected to preliminary biological evaluation. Notably, inversion of the chair conformation of the xyloside scaffold exerted a significant effect on the potency of the respective compounds as inhibitors of mannose-specific bacterial adhesion. Full article

(This article belongs to the Section Bioorganic Chemistry)

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26 pages, 10043 KB

Open AccessArticle

Molecular Mechanisms and Molecular Subtype-Specific Responses to Paclitaxel in Breast Cancer Cells

by Kezban Uçar Çifçi, Ayşe Büşranur Çelik, Levent Gülüm, Saniye Koç Ada, Mihrican Demir and Yusuf Tutar

Molecules 2026, 31(14), 2431; https://doi.org/10.3390/molecules31142431 (registering DOI) - 11 Jul 2026

Abstract

Paclitaxel (PTX), a taxane-derived chemotherapeutic agent, is frequently used in the treatment of breast cancer (BC). Its anticancer effects are primarily associated with microtubule stabilization, disruption of cell-cycle progression, and triggering of apoptotic cell death. In the present study, we investigated the effects [...] Read more.

Paclitaxel (PTX), a taxane-derived chemotherapeutic agent, is frequently used in the treatment of breast cancer (BC). Its anticancer effects are primarily associated with microtubule stabilization, disruption of cell-cycle progression, and triggering of apoptotic cell death. In the present study, we investigated the effects of PTX on the expression of genes involved in cancer-related pathways, energy metabolism, and drug resistance in four molecularly distinct BC cell lines: MCF-7, BT-474, SK-BR-3, and MDA-MB-231. The half-maximal inhibitory concentrations (IC₅₀) of PTX in BC cell lines and the non-tumorigenic hTERT-HME1 breast epithelial cell line were determined by the MTT assay to assess cell cytotoxicity. BC cells were exposed to nine different concentrations of PTX for 24, 48, and 72 h to evaluate concentration- and time-dependent effects. Following treatment, total RNA was isolated and converted into cDNA, and RT-qPCR analysis was performed to investigate PTX-mediated alterations in the expression of genes associated with cancer-related pathways. The impact of PTX on the cell-cycle phase distribution and apoptotic cell death was evaluated by flow cytometry. Treatment with PTX for 48 h at concentrations of 12.60 nM in MCF-7, 5.09 nM in BT-474, 16.09 nM in SK-BR-3, and 36.66 nM in MDA-MB-231 cells reduced cell viability and increased apoptosis. PTX treatment also altered the expression of genes involved in apoptosis, cell-cycle regulation, angiogenesis, epithelial–mesenchymal transition, hypoxia-related signaling, energy metabolism, telomere maintenance, and therapy resistance. Collectively, these findings demonstrate that PTX elicits heterogeneous molecular and cellular responses across molecularly distinct BC cell lines, particularly in cell viability, apoptosis, metabolic regulation, and treatment response. These in vitro findings suggest potential molecular mechanisms that could explain why some cells are more sensitive to PTX than others, but further experimental and clinical validation is needed to confirm this. Full article

(This article belongs to the Special Issue Anticancer Drugs: Design, Synthesis, and Anticancer Activity)

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15 pages, 4359 KB

Open AccessArticle

Queen of Spices, Cardamom (Elettaria cardamomum (L.) Maton, Zingiberaceae)—In Vitro Assessment of Biological Potential

by Maja Hitl, Katarina Radovanović, Katarina Urumović, Blagoje Prpa and Nebojša Kladar

Molecules 2026, 31(14), 2430; https://doi.org/10.3390/molecules31142430 (registering DOI) - 11 Jul 2026

Abstract

Cardamom represents one of the world’s most famous spices, which is also applied in the traditional medicine of numerous cultures. Modern research aims to elucidate its therapeutic potential in various diseases. The aim of this study was to investigate the chemical composition of [...] Read more.

Cardamom represents one of the world’s most famous spices, which is also applied in the traditional medicine of numerous cultures. Modern research aims to elucidate its therapeutic potential in various diseases. The aim of this study was to investigate the chemical composition of essential oil of cardamom seeds, as well as to assess the biological and pharmacological potential of aqueous and ethanolic extracts. The essential oil composition was evaluated using gas chromatography coupled to mass spectrometry. Aqueous and ethanolic extracts were analyzed for the total phenolic and flavonoid content, and further evaluated in vitro regarding antioxidant, anti-inflammatory and antihyperglycemic activity, and additionally antimicrobial activity for the ethanolic extract. The essential oil was abundant in monoterpenes, with α-terpinyl acetate as a predominant compound. The content of total phenolics and flavonoids in extracts was low. Antioxidant potential was moderate. Extracts displayed potent activity in tests of anti-inflammatory potential, with the ethanolic extract being more active. Regarding the antihyperglycemic activity, the extracts displayed inhibitory activity against α-amylase and no activity against α-glucosidase. Antimicrobial activity was observed against Candida albicans and Prototheca zopfii in high concentrations. The present study suggests preliminary in vitro potential of cardamom in mediating carbohydrate metabolism and pro-inflammatory conditions. Full article

(This article belongs to the Special Issue Functional Foods: Bioactive Compounds, Antioxidants and Anti-Inflammatory Activities, 2nd Edition)

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26 pages, 26320 KB

Open AccessArticle

Hybrid TiO₂ Particles/Fluorinated Polymer as a Protective Layer for α-HgS Cinnabar: A Multi-Analytic Study

by Federica Valentini, Pasquino Pallecchi, Irene Angela Colasanti, Camilla Zaratti, Andrea Macchia, Michela Relucenti, Loredana Cristiano, Nicoletta Volante, Ilaria Fratoddi and Sara Cerra

Molecules 2026, 31(14), 2429; https://doi.org/10.3390/molecules31142429 (registering DOI) - 10 Jul 2026

Abstract

In recent years, hybrid materials have been widely applied in the cultural heritage conservation field, especially to preserve color pigments. Among these, one of the most problematic (in terms of conservation science) is the red pigment cinnabar/vermilion. The challenge of this work was [...] Read more.

In recent years, hybrid materials have been widely applied in the cultural heritage conservation field, especially to preserve color pigments. Among these, one of the most problematic (in terms of conservation science) is the red pigment cinnabar/vermilion. The challenge of this work was to prepare a hybrid coating consisting of a fluorinated polymer (known to protect cinnabar/vermilion), further modified with an inorganic filler based on anatase TiO₂. The latter is suitable because it is functionalized with quenchers, the particles are well above the nanoscale (≥200 nm in diameter), and it was added to the polymer matrix in small quantities. These characteristics made it suitable as a hybrid coating for protecting natural cinnabar, as demonstrated by the results obtained through a multi-analytical approach, based on multispectral imaging, Fourier-transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM) coupled with energy-dispersive X-ray analysis (EDX), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), X-ray fluorescence (XRF), contact angle, spectrophotometry and mechanical tests, which were applied to evaluate the performances of the hybrid coating on laboratory specimens (after aging) and original samples. The experimental results provide insight into both the physicochemical decomposition mechanism of natural cinnabar under laboratory-simulated aging conditions and the benefits of the coating. In particular, the treatment did not induce electrochemical changes in the mercury, which remained in its oxidized state (+2) rather than being further reduced to elemental mercury (Hg⁰), the species responsible for the blackening of cinnabar/vermilion (also combined with meta-cinnabar). In the oxidized form (Hg²⁺), the protein binder was altered, yet the application of the hybrid coating did not cause further physicochemical changes (i.e., red shift) to the Hg²⁺/egg-based binder system. This was also reflected in the color properties, which underwent no significant alteration. Finally, the mechanical tests yielded satisfactory results, particularly regarding water vapor permeability and treatment efficiency (even eight months after the initial application, although studies on the same samples are still ongoing). The hybrid coating was ultimately applied to original samples collected at Poggio Spaccasasso (Tuscany, Italy), which could be representative of prehistoric artworks based on natural cinnabar and traces of prehistoric adhesives made from beeswax, natural oils, and plant resins. Full article

(This article belongs to the Special Issue Advances in Analytical Strategies to Study Cultural Heritage Samples, 3rd Edition)

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25 pages, 2840 KB

Open AccessArticle

Green Synthesis Characterization and Evaluation of Senna italica and Vepris reflexa Extracts and Silver Nanoparticles Against SARS-CoV-2 PLpro Enzyme

by Rebotile M. Machika, Joshua O. Olowoyo, Malohle D. Tswaledi and Kokoette Bassey

Molecules 2026, 31(14), 2428; https://doi.org/10.3390/molecules31142428 - 10 Jul 2026

Abstract

This study investigated the antiviral potential of silver nanoparticles (AgNPs) synthesized from Senna italica and Vepris reflexa plant extracts, rich in saponins and flavonoids. The aim was to explore the synthesis of AgNPs through green chemistry, followed by assessing their inhibitory activity against [...] Read more.

This study investigated the antiviral potential of silver nanoparticles (AgNPs) synthesized from Senna italica and Vepris reflexa plant extracts, rich in saponins and flavonoids. The aim was to explore the synthesis of AgNPs through green chemistry, followed by assessing their inhibitory activity against SARS-CoV-2 papain-like protease (PLpro) and evaluating cytotoxicity. The synthesized AgNPs were predominantly spherical in shape, with an average particle size in the nanoscale range (12–55 nm), as conformed by the transmission electron microscopy (TEM) and dynamic light scattering (DLS) analyses. A dose-dependent inhibition of SARS-CoV-2 PLpro was observed, with IC₅₀ values ranging from 0.12 to 0.48 mg/mL for different formulations. Cytotoxicity tests on Vero-76 cells revealed a high viability (>75%) at concentrations below 0.5 mg/mL for all AgNP samples. The findings suggest that the plant-derived AgNPs exhibit significant antiviral activity and minimal cytotoxicity, supporting their potential for further development as therapeutic agents. Full article

(This article belongs to the Special Issue Bioactive Compounds in Plants: Extraction and Application)

23 pages, 1919 KB

Open AccessArticle

Lactobacilli-Fermented Chia Seeds as a Potential Anti-Hypertensive Agent

by Hector Atonal-Sánchez, Jorge Cornejo-Garrido, Flor N. Rivera-Orduña, Nemesio Villa-Ruano, Lidia Esmeralda García-Díaz, Maricruz Rangel-Galván and Silvia Luna-Suárez

Molecules 2026, 31(14), 2427; https://doi.org/10.3390/molecules31142427 - 10 Jul 2026

Abstract

Hypertension is a prevalent disorder that results in millions of deaths worldwide. In this regard, timely diagnosis and effective treatment are paramount for maintaining optimal blood pressure levels in the early stages of the disease. The objective of the present study was to [...] Read more.

Hypertension is a prevalent disorder that results in millions of deaths worldwide. In this regard, timely diagnosis and effective treatment are paramount for maintaining optimal blood pressure levels in the early stages of the disease. The objective of the present study was to synthesize and assess the effect of peptides derived from chia seeds that had undergone fermentation with Lacticaseibacillus paracasei strain 2501 (hereinafter referred to as LPDP, i.e., L. paracasei-derived products from this fermentation) on the angiotensin-converting enzyme (ACE) and the spontaneously hypertensive rat model (SHR). LPDP exhibited competitive inhibition, as evidenced by the identification of seven peptides in the <1 kDa fraction by HPLC-QToF-MS. The LPDP exhibited an IC₅₀ of 11.1 μg/mL on ACE. The oral administration of 50 mg/kg body weight (BW) to SHR over a 14-day period resulted in a significant reduction in systolic pressure from 152 to 87 mmHg, accompanied by a substantial decrease in diastolic pressure from 117 to 74 mmHg. It is noteworthy that doses of 500 mg/kg BW led to a significant reduction in systolic pressure, from 154 to 68 mmHg and diastolic pressure, from 117 to 42 mmHg under identical experimental conditions. The hematological profiling of the assayed animals revealed that LPDP has no adverse effects at the cellular or biochemical level. These findings indicate the anti-hypertensive properties of LPDP and its possible application in the treatment of blood pressure. Full article

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24 pages, 701 KB

Open AccessReview

Advances in Mechanism of Action and Efficacy of CBP/p300 Inhibitors in Different Subtypes of Breast Cancer

by Yue Yang, Ting Yang, Yan Lin and Lin Gan

Molecules 2026, 31(14), 2426; https://doi.org/10.3390/molecules31142426 - 10 Jul 2026

Abstract

Breast cancer is a highly heterogeneous malignancy with multiple molecular subtypes and variable treatment responses. Despite advances in endocrine therapy, HER2-targeted therapy, chemotherapy, and immunotherapy, treatment resistance and disease recurrence remain major clinical challenges. There is growing evidence that transcriptional plasticity and enhancer [...] Read more.

Breast cancer is a highly heterogeneous malignancy with multiple molecular subtypes and variable treatment responses. Despite advances in endocrine therapy, HER2-targeted therapy, chemotherapy, and immunotherapy, treatment resistance and disease recurrence remain major clinical challenges. There is growing evidence that transcriptional plasticity and enhancer relinking contribute to tumor progression and treatment adaptation, highlighting the powerful role of epigenetic regulators. CREB-binding protein (CBP) and E1A-associated protein p300 (EP300) are transcriptional coactivators that regulate breast cancer enhancer activity and lineage-specific gene expression. Emerging research suggests that CBP/p300 is more of a context-dependent vulnerability point than a universal carcinogenic driver. ER-positive tumors exhibit a strong dependence on CBP/p300-mediated transcriptional programs, while the triple-negative breast cancer subgroup, including androgen receptor-positive and immunosuppressive tumors, may rely on CBP/p300-dependent signaling to maintain survival and treatment resistance. This is in contrast to their role in HER2-positive breast cancer. This review summarizes the biological functions of CBP/p300 in breast cancer and discusses subtype-specific vulnerability, biomarker-directed patient stratification, drug resistance mechanisms, rational combination strategies, and current translational challenges, emphasizing the need for precise treatment of breast cancer. Full article

27 pages, 16996 KB

Open AccessArticle

Bio-Chemical Desensitization and Viscosity Reduction System for Ultra-Sensitive Heavy Oil Reservoirs in Jinjia Oilfield

by Xiangyu Zhang, Ningkai Shu, Wangang Zheng, Hongguang Xu, Jing Hu, Zhongping Zhang and Shuaidong Wang

Molecules 2026, 31(14), 2425; https://doi.org/10.3390/molecules31142425 - 10 Jul 2026

Abstract

The Jinjia oilfield in Shengli oilfield is a typical ultra-sensitive reservoir characterized by high crude oil viscosity, poor fluidity, high clay content, and weak cementation. During development, oil-sand mixtures readily plug pore throats. Various development methods including water flooding and thermal recovery have [...] Read more.

The Jinjia oilfield in Shengli oilfield is a typical ultra-sensitive reservoir characterized by high crude oil viscosity, poor fluidity, high clay content, and weak cementation. During development, oil-sand mixtures readily plug pore throats. Various development methods including water flooding and thermal recovery have been implemented, yet severe problems persist: inability to inject, failure to displace, and lack of capacity to produce. To address these challenges, a functional microbial mineral-modified desensitization-chemical viscosity-reduction dual-effect agent, a self-growing gel dispersion profile control agent, and a low-damage deep acidizing system were developed. Laboratory experiments clarified the enhanced oil recovery mechanism of the bio-chemical desensitization and viscosity-reduction system. Results indicate that the desensitization and viscosity-reduction system can inhibit clay swelling, with the anti-swelling improvement rate of core permeability reaching 56%. Chemical viscosity reduction enabled heavy oil to “flow effectively,” achieving a viscosity reduction rate of 98.9% after adsorption. The profile control agent dispersed and migrated, then stably adsorbed onto particle surfaces to plug high-permeability channels, demonstrating strong anti-scouring capability and effectively suppressing channeling flow. In the composite system, bio-chemical desensitization and viscosity reduction synergistically enhanced mobility control, achieving an oil recovery factor of 56.5%, representing a 26.3% increase over post-water-flooding viscosity-reduction flooding. After two pilot well groups in the Jinjia oilfield were converted from water flooding to bio-chemical desensitization and viscosity-reduction composite flooding, single-well oil production capacity increased by 2.8-fold, water cut decreased by 12%, and both development performance and economic benefits were significantly improved—transforming the situation from “increasing water without increasing oil” to “increasing both liquid and oil production.” The research findings provide important reference value for the effective development of ultra-sensitive reservoirs. Full article

(This article belongs to the Section Computational and Theoretical Chemistry)

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