Molecules

20 pages, 6374 KB

Open AccessArticle

Modifying Recycled Graphite with Co₃O₄ Towards a Novel, Efficient Anode for the Electrochemical Treatment of a Textile Dyebath

by Milica Petrović, Slobodan Najdanović, Nena Velinov Georgiev, Jelena Mitrović, Miljana Radović Vučić, Miloš Kostić and Aleksandar Bojić

Molecules 2026, 31(16), 2785; https://doi.org/10.3390/molecules31162785 - 10 Aug 2026

Abstract

Electrochemical oxidation is an effective method for degrading environmentally harmful textile dyes that are difficult to remove by conventional treatments. The novel graphite–Co₃O₄ anode, prepared by electrochemically modifying recycled graphite tubes for AAS samples and characterized by SEM, EDX, FTIR, [...] Read more.

Electrochemical oxidation is an effective method for degrading environmentally harmful textile dyes that are difficult to remove by conventional treatments. The novel graphite–Co₃O₄ anode, prepared by electrochemically modifying recycled graphite tubes for AAS samples and characterized by SEM, EDX, FTIR, XRD, and BET, was used for electrochemical degradation of RB 4 dye in model solutions and textile dyeing effluent. Modification did not disrupt the graphite crystal structure but altered its surface properties, improving its dye degradation performance. It increased the decolorization rate constant of a model solution from 0.0148 min⁻¹ to 0.0753 min⁻¹ and maximum COD decay from 59% to 91%, reducing decolorization energy consumption from 3.26 kWh m⁻³ to 0.89 kWh m⁻³. Degradation at the graphite–Co₃O₄ anode proceeded via ·OH radicals and most likely the Co³⁺/Co²⁺ redox couple. It followed the pseudo-first-order kinetics. Pastel- and dark-shade dyeing textile effluents (containing 53 mg dm⁻³ and 159 mg dm⁻³ RB 4, respectively) were decolorized in about 70 and 110 min; COD decay reached about 87% and 80% after 180 min of electrolysis, respectively. The corresponding energy consumption was 1.75 kWh m⁻³, 2.39 kWh m⁻³, 2.97 kWh m⁻³, and 2.91 kWh m⁻³, respectively. The anode was efficient and stable in the given working conditions. Full article

(This article belongs to the Special Issue Advanced Oxidation/Reduction Processes in Water Treatment)

► Show Figures

Graphical abstract

14 pages, 952 KB

Open AccessArticle

Phenolic Compounds of Olive Oil: Intake and Behavior in In Vitro Static Simulated Digestion Without or with Cellulose

by Lidija Jakobek, Petra Matić, Lidija Šoher and Daniela Kenjerić

Molecules 2026, 31(16), 2784; https://doi.org/10.3390/molecules31162784 - 10 Aug 2026

Abstract

The effects of phenolic compounds in the gastrointestinal tract are linked to their intake in the diet and their interactions with the food matrix. The aim was to estimate the intake of phenolic compounds from two olive oils and to assess their behavior [...] Read more.

The effects of phenolic compounds in the gastrointestinal tract are linked to their intake in the diet and their interactions with the food matrix. The aim was to estimate the intake of phenolic compounds from two olive oils and to assess their behavior in the gastrointestinal tract after simulated static in vitro digestion without or with added cellulose, as a preliminary result on the influence of cellulose on their behavior. Individual phenolic compounds were quantified by RP-HPLC. The two olive oils were characterized by phenyl alcohols (1.8% and 5.3%), flavones (1.1% and 2.4%), lignans (0.8% and 1.7%), and unidentified secoiridoid derivatives (96.3% and 90.7%). The estimated population daily intake of phenolic compounds based on EFSA consumption data for the analyzed olive oil samples had means 0.75 to 1.27 and 0.30 to 0.51 mg per day, with the 95 percentile up to 5.91 and 2.38 mg per day for olive oil 1 and 2, respectively. The total amounts after gastric and intestinal digestion significantly decreased. Phenolic subgroups showed different behavior. In the stomach, phenyl alcohols increased, while all other subgroups decreased. After the intestinal phase, some subgroups additionally increased (phenyl alcohols, flavones, lignans), while others decreased (secoiridoids). Cellulose increased recovery in the stomach. As a preliminary result, the influence of cellulose needs to be studied further. Full article

(This article belongs to the Special Issue Phenolic Compounds: Chemistry and Health Benefits)

23 pages, 15404 KB

Open AccessArticle

Protective Effects of Prenatal Bacopa monnieri Extract Against Valproic Acid-Induced Autism-like Behavioral and Neurohistological Alterations in Mice

by Zainab M. Almalki, Ashwaq H. Batawi, Asma Almuhammadi, Safaa A. Alowaidi, Suad H. Almasoudi, Jehan Alamri and Mona A. AL-Thepyani

Molecules 2026, 31(16), 2783; https://doi.org/10.3390/molecules31162783 - 10 Aug 2026

Abstract

Autism spectrum disorder (ASD) is a neurodevelopmental condition characterized by impaired social communication and repetitive behaviors. Oxidative stress is increasingly recognized as a key contributor to the neuro-degeneration and behavioral abnormalities associated with ASD. Bacopa monnieri (BM), a medicinal herb with potent antioxidant [...] Read more.

Autism spectrum disorder (ASD) is a neurodevelopmental condition characterized by impaired social communication and repetitive behaviors. Oxidative stress is increasingly recognized as a key contributor to the neuro-degeneration and behavioral abnormalities associated with ASD. Bacopa monnieri (BM), a medicinal herb with potent antioxidant and neuro-protective properties, has shown promise in mitigating oxidative damage. This study evaluated the preventive effects of BM extract on behavioral and neuro-histological alterations in a valproic acid (VPA)-induced mouse model of ASD. Pregnant mice received BM extract (400 mg/kg, orally) throughout gestation, while VPA (600 mg/kg) was administered intraperitoneally on embryonic day 12 (E12). Behavioral assessments included the open field test, righting reflex, three-chamber social interaction, marble burying, and hot plate tests. Oxidative stress markers, malondialdehyde (MDA) and glutathione (GSH), were quantified in hippocampal and cerebellar tissues. BM-treated offspring showed significant behavioral improvements, including reduced hyperactivity in the open field test (p < 0.0001), along with restored brain tissue architecture. Moreover, BM extract decreased MDA levels and elevated GSH concentrations, indicating attenuation of oxidative stress. In conclusion, Bacopa monnieri extract exerts protective effects against autism-like symptoms by enhancing antioxidant defenses and preserving neural integrity, suggesting its potential as a natural preventive strategy for ASD. Full article

(This article belongs to the Special Issue Antioxidants from Natural Plants: Chemistry, Bioactivity, and Applications)

47 pages, 8705 KB

Open AccessArticle

A Computational Framework for the Design and Development of Isoform Selective PI3Kα Inhibitors as Novel Anticancer Agents

by Milan Jovanović, Teodora Djikic-Stojsic, Branislav Stanković, Marija Popovic-Nikolic and Katarina Nikolic

Molecules 2026, 31(16), 2782; https://doi.org/10.3390/molecules31162782 - 10 Aug 2026

Abstract

Background: Phosphatidylinositol 3-kinase (PI3K) is a promising anticancer drug target, and selective PI3Kα inhibition may provide both efficacy and an improved safety profile. This study aimed to design new potentially selective PI3Kα inhibitors using computer-aided drug design (CADD). Methods: Benzoxazepine and thiazole derivatives [...] Read more.

Background: Phosphatidylinositol 3-kinase (PI3K) is a promising anticancer drug target, and selective PI3Kα inhibition may provide both efficacy and an improved safety profile. This study aimed to design new potentially selective PI3Kα inhibitors using computer-aided drug design (CADD). Methods: Benzoxazepine and thiazole derivatives were investigated using molecular dynamics, ensemble docking, and Three-Dimensional Quantitative Structure–Activity Relationship (3D-QSAR) analyses. Scaffold hopping, substituent replacement, structure-based virtual screening, and density functional theory (DFT) calculations were then applied to guide the design and characterization of new derivatives. Results: The study identified new chemotypes capable of interacting with PI3Kα Val851 (αVal851) in the hinge region, including chromeno[3,4-d]imidazole, 2H-benzo[b]oxazine, and quinoline derivatives. Additional substructures directed toward hydrophobic region II and the αGln859 interaction environment supported predicted selectivity over PI3Kβ, PI3Kγ, and PI3Kδ. Conclusions: The results establish a comprehensive CADD framework for the rational design of selective PI3Kα inhibitors and provide new compounds with improved predicted selectivity profiles for further development. Full article

(This article belongs to the Special Issue Recent Advances in Computer-Aided Drug Design and Drug Discovery, 2nd Edition)

► Show Figures

Figure 1

20 pages, 13617 KB

Open AccessArticle

XYL-1 and Olaparib Synergistically Inhibit the Growth of Pancreatic Cancer by Suppressing the SCD1/BRCA1 Signaling Pathway

by Ye Yang, Lei Huang, Yaru Du, Qingyue Zhu, Li Dai and Bingjun Qian

Molecules 2026, 31(16), 2781; https://doi.org/10.3390/molecules31162781 - 10 Aug 2026

Abstract

PARP1/2 inhibitors have received FDA approval for pancreatic cancer harboring BRCA1/2 mutations and homologous recombination (HR) deficiency; however, their limited indications restrict their broader clinical application. Previous studies have demonstrated that PARP7, a member of the PARP family, enhances tumor sensitivity to PARP1/2 [...] Read more.

PARP1/2 inhibitors have received FDA approval for pancreatic cancer harboring BRCA1/2 mutations and homologous recombination (HR) deficiency; however, their limited indications restrict their broader clinical application. Previous studies have demonstrated that PARP7, a member of the PARP family, enhances tumor sensitivity to PARP1/2 inhibition. However, the mechanisms underlying their synergistic effects in pancreatic cancer remain unclear. Herein, we found that combined inhibition of PARP1/2 and PARP7 using Olaparib and XYL-1 significantly inhibited the proliferation of SW1990 and CFPAC cells compared with either single agent. Furthermore, XYL-1 and Olaparib cooperatively caused DNA damage and induced cell apoptosis in SW1990 cells. Consistently, combined treatment with XYL-1 and Olaparib significantly suppressed SW1990 tumor growth compared with single-agent treatment in mouse xenograft models, accompanied by elevated levels of phosphorylated H2AX in tumor tissues. Notably, bioinformatic analyses and mechanistic studies identified SCD1 and BRCA1 as key mediators of the synergistic antitumor effects of XYL-1 and Olaparib. More importantly, the combination of XYL-1 and Olaparib synergistically downregulated the expression of SCD1 and BRCA1, thereby impairing the HR-mediated DNA repair pathway. Collectively, these findings suggest that dual targeting of PARP7 and PARP1/2 may represent a promising therapeutic strategy for BRCA-proficient pancreatic cancer. Full article

► Show Figures

Figure 1

15 pages, 5152 KB

Open AccessArticle

Latanoprost Acid–Brimonidine, a New Amide Prodrug for Glaucoma Management Based on the Concept of Sustained Release

by Hong-Jia Lin, Shih-Horng Su and Wen-Chung Wu

Molecules 2026, 31(16), 2780; https://doi.org/10.3390/molecules31162780 - 10 Aug 2026

Abstract

Glaucoma is an ocular disease caused by the improper management of elevated intraocular pressure (IOP). IOP-lowering via topical administration is the first choice to prevent further progression. However, patients may forget to administer their medication, compromising IOP control. To address this problem, a [...] Read more.

Glaucoma is an ocular disease caused by the improper management of elevated intraocular pressure (IOP). IOP-lowering via topical administration is the first choice to prevent further progression. However, patients may forget to administer their medication, compromising IOP control. To address this problem, a prolonged active pharmaceutical ingredient (API) release system is proposed. A new prodrug (latanoprost acid–brimonidine conjugate, LBJ) was designed and expected to achieve potential long-lasting release of APIs. LBJ was synthesized by two methods. First, Steglich esterification without protecting the hydroxyl group led to a yield of 34.24%. However, the integral ratio between LPA and BM obtained from NMR was 1.25:1, indicating a potential side product resulting from further coupling through the unprotected hydroxyl group in LBJ. As an alternative route, Steglich esterification with a protecting agent, tert-butyldimethylchlorosilane (TBDMSCl), resulted in a yield of 39.35%, and the integral ratio between LPA and BM obtained from NMR was 1:1. The hydrolysis time of LBJ was investigated and compared with that of latanoprost (LP). In the presence of esterase (0.4 U/mL), the hydrolysis times of LP and LBJ were 4 h and 28 days, respectively. The prolonged hydrolysis time results in sustained APIs release, which is beneficial for the development of a sustained drug release system. Full article

► Show Figures

Figure 1

22 pages, 9580 KB

Open AccessArticle

A Bioactivated Lepidium latifolium Formulation Disrupts Mitochondrial Bioenergetics and Metabolic Adaptation in KRAS-Mutant Cancer Cells

by María Conde-Rioll, Aiora Cenigaonandia-Campillo, Silvia Sanz, José Antonio Esteban and Oscar Aguilera

Molecules 2026, 31(16), 2779; https://doi.org/10.3390/molecules31162779 - 10 Aug 2026

Abstract

Pancreatic ductal adenocarcinoma (PDAC) and colorectal cancer (CRC) are aggressive malignancies frequently driven by oncogenic Kirsten rat sarcoma viral oncogene homolog (KRAS) mutations associated with metabolic reprogramming and resistance to apoptosis. In this study, we evaluated the antitumor and anti-inflammatory activity of a [...] Read more.

Pancreatic ductal adenocarcinoma (PDAC) and colorectal cancer (CRC) are aggressive malignancies frequently driven by oncogenic Kirsten rat sarcoma viral oncogene homolog (KRAS) mutations associated with metabolic reprogramming and resistance to apoptosis. In this study, we evaluated the antitumor and anti-inflammatory activity of a Lepidium latifolium L.-derived formulation (CTP) enriched in glucosinolate hydrolysis products in KRAS-mutant colorectal and pancreatic cancer models. The formulation was designed to promote the generation of the epithionitrile 1-cyano-2,3-epithiopropane (CETP) through iron-dependent myrosinase-mediated sinigrin hydrolysis. CTP induced dose-dependent cytotoxicity and morphological alterations consistent with apoptosis in KRAS-mutant cancer cell lines. Treatment significantly reduced mitochondrial membrane potential, ATP production, oxygen consumption rate (OCR), and extracellular acidification rate (ECAR), indicating severe bioenergetic impairment. In parallel, CTP downregulated the metabolic and proliferative regulators C-myc, PKM2, GLUT1, and Cyclin E1. RNA-seq analysis revealed extensive transcriptional reprogramming associated with oxidative stress, metabolic adaptation, and cell-cycle regulation. In addition, CTP significantly suppressed nitric oxide, IL-6, and IL-8 production in LPS-stimulated RAW 264.7 macrophages. These findings demonstrate that glucosinolate-derived metabolites from L. latifolium interfere with metabolic and inflammatory pathways critical for KRAS-driven tumor survival and support the therapeutic potential of Brassicaceae-derived epithionitriles as multitarget anticancer agents. Full article

► Show Figures

Figure 1

21 pages, 9497 KB

Open AccessArticle

Bioactive Compounds of Aboveground Organs Salicornia europaea L. of East Kazakhstan Flora

by Laura Kazhygeldiyeva, Lazzyat Orazzhanova, Binur Mussabayeva, Alfira Sabitova, Batiyash Silybayeva and Akmaral Issayeva

Molecules 2026, 31(16), 2778; https://doi.org/10.3390/molecules31162778 - 10 Aug 2026

Abstract

This study presents the phytochemical profile and antioxidant activity of the aboveground organs of Salicornia europaea L. collected from a natural population in East Kazakhstan. The chemical composition of the plant sample was studied using a complex of modern analytical methods, including HPLC, [...] Read more.

This study presents the phytochemical profile and antioxidant activity of the aboveground organs of Salicornia europaea L. collected from a natural population in East Kazakhstan. The chemical composition of the plant sample was studied using a complex of modern analytical methods, including HPLC, GC-MS, IR-Fourier spectroscopy, and elemental analysis. Metabolites were putatively annotated based on mass spectrometry data, corresponding to MSI level 2. It was found that the content of flavonoids was 2.40 ± 0.02 mg QE/g of dry raw materials, and the content of polyphenols was 6.73 ± 0.03 mg GAE/g. The antioxidant activity (ABTS test) reached 7.85 ± 0.04 mg TE/g. The concentration of fat-soluble and water-soluble vitamins was C—1.27 ± 0.12 mg/100 g, A—1.16 ± 0.11 mg/100 g and E—3.89 ± 0.38 mg/100 g. The IR characterization of plant raw materials and ash was carried out, the indicators of the elemental composition (TC, TOC, TIC, TN, TS) were determined. The totality of the obtained data indicates the phytochemical potential of Salicornia europaea L. growing in the territory of East Kazakhstan and may serve as a basis for further applied research. Full article

► Show Figures

Figure 1

16 pages, 1285 KB

Open AccessArticle

Processing-Dependent Acrylamide Formation in French Fries: Optimisation of QuEChERS-Based Extraction and HPLC-PDA Determination

by Nimo Hussein Yussuf, Eylem Odabas, Fatma Oznur Afacan and Bulent Kabak

Molecules 2026, 31(16), 2777; https://doi.org/10.3390/molecules31162777 - 10 Aug 2026

Abstract

Acrylamide is a thermally induced process contaminant formed predominantly through Maillard-type reactions in carbohydrate-rich foods and is considered a major food safety concern due to its potential genotoxic and carcinogenic properties. In the present study, a modified QuEChERS (quick, easy, cheap, effective, rugged, [...] Read more.

Acrylamide is a thermally induced process contaminant formed predominantly through Maillard-type reactions in carbohydrate-rich foods and is considered a major food safety concern due to its potential genotoxic and carcinogenic properties. In the present study, a modified QuEChERS (quick, easy, cheap, effective, rugged, and safe)-based extraction and clean-up procedure followed by high-performance liquid chromatography coupled with photodiode array detection (HPLC-PDA) analysis was developed and optimised for the determination of acrylamide in French fries. Different clean-up strategies involving primary secondary amine (PSA), C18, and salt-assisted extraction systems were comparatively evaluated to improve analytical selectivity and chromatographic performance in complex potato matrices. The optimised procedure demonstrated satisfactory analytical performance and chromatographic selectivity for acrylamide analysis in thermally processed potato matrices, with an LOQ value of 32.3 µg kg⁻¹, recoveries ranging from 79.4 to 86.6%, and relative standard deviation (RSD) values below 8%. The validated method was subsequently applied to investigate the influence of thermal processing conditions on acrylamide formation in frozen French fries processed using sunflower oil, riviera olive oil, and palm oil. Deep-fat frying formed substantially higher acrylamide concentrations (526.7–829.6 µg kg⁻¹) than oven baking (285.5–480.6 µg kg⁻¹) and air frying (272.1–673.6 µg kg⁻¹), whereas repeated frying cycles markedly enhanced acrylamide formation, particularly in sunflower oil systems. The proposed analytical strategy offers a reliable and analytically robust approach for acrylamide determination while providing mechanistic insights into processing-dependent chemical transformations associated with acrylamide formation in potato-based foods. Full article

(This article belongs to the Special Issue Chemical Approaches in Food Quality and Safety)

► Show Figures

Figure 1

23 pages, 2047 KB

Open AccessArticle

Solid-State Fermentation by Trichoderma Remodels the Metabolome and Enhances the Antioxidant Properties of Tomato Peel and Green Waste

by Noemi Bertoli, Giorgio Gargari, Margherita Paracini, Elisa Clagnan, Emanuela Gobbi, Stefano Dall’Acqua and Gregorio Peron

Molecules 2026, 31(16), 2776; https://doi.org/10.3390/molecules31162776 - 10 Aug 2026

Abstract

The increasing generation of agro-industrial residues requires the development of sustainable valorization strategies for converting low-value biomasses into high-added-value products within a circular bioeconomy framework. In this study, tomato peels (TP) derived from the tomato-processing industry and green waste (GW) from urban pruning [...] Read more.

The increasing generation of agro-industrial residues requires the development of sustainable valorization strategies for converting low-value biomasses into high-added-value products within a circular bioeconomy framework. In this study, tomato peels (TP) derived from the tomato-processing industry and green waste (GW) from urban pruning activities were investigated as substrates for solid-state fermentation (SSF) mediated by Trichoderma harzianum, with the aim of evaluating fungal growth, metabolomic remodeling, and the production of antioxidant bioactive compounds. Different substrate formulations containing TP and GW were subjected to SSF for 7 days, and fungal colonization was monitored. The highest fungal colonization was observed in substrates containing high proportions of GW, whereas pure tomato peels showed negligible colonization, indicating a strong substrate-dependent effect on fungal development. UPLC-QToF-MS metabolomic profiling was subsequently performed on the fermented substrate formulations using three independent biological replicates per treatment, whereas the 100% TP formulation, which showed negligible fungal colonization, was excluded from metabolomic analysis. Results revealed marked differences among fermented substrates, and 22 discriminant metabolites significantly enriched in those containing higher proportions of TP were identified. These metabolites mainly included hydroxycinnamic acid derivatives, flavonoids, lignans, phenolic glycosides, and organic acids, such as coumaric acid, hydroxycaffeic acid, cinnamoylglucose, citric acid, and cyanidin glycosides, suggesting fermentation-associated transformation and release of phenolic compounds. Fermented extracts obtained from mixed substrates enriched in TP exhibited the highest antioxidant activity, with DPPH and ABTS radical scavenging capacities reaching up to 63.48 µmol TE/g dw and 119.67 µmol TE/g dry weight, respectively, together with increased total phenolic content. The integration of microbiological, metabolomic, and antioxidant analyses demonstrated that co-fermentation of tomato-processing byproducts with green waste can modulate fermentation outcomes and enhance antioxidant potential. Overall, this study provides new insights into substrate-driven metabolic transformations during Trichoderma-mediated SSF and highlights the potential of mixed agro-industrial residues as sustainable feedstocks for the production of antioxidant-rich extracts with possible nutraceutical and biotechnological applications. Full article

(This article belongs to the Special Issue Unlocking the Potential of Agro-Forestry Residues: Biomolecules for Diverse Applications and Multifunctional Uses)

► Show Figures

Figure 1

17 pages, 2419 KB

Open AccessArticle

Comparative Effects of Ce, Co, or W Dopants on the Catalytic Performance of FeMnTiO_x Catalysts for Low-Temperature NH₃-SCR of NO

by Binyu Wang, Cong Feng and Huan Liu

Molecules 2026, 31(16), 2775; https://doi.org/10.3390/molecules31162775 - 10 Aug 2026

Abstract

To clarify the role of metal dopants in low-temperature NH₃-SCR of NO, FeMnTiO_x catalysts were synthesized by coprecipitation and separately modified with Ce, Co, or W. The catalysts were evaluated for NO conversion, separate O₂/H₂O switching [...] Read more.

To clarify the role of metal dopants in low-temperature NH₃-SCR of NO, FeMnTiO_x catalysts were synthesized by coprecipitation and separately modified with Ce, Co, or W. The catalysts were evaluated for NO conversion, separate O₂/H₂O switching response and dry-feed time-on-stream stability and characterized by XRD, SEM, N₂ adsorption–desorption, XPS, H₂-TPR and NH₃-TPD. Ce doping at Ce/Mn = 0.3 suppressed TiO₂ crystallization, increased the BET surface area from 136 to 231 m² g⁻¹ and the pore volume from 0.19 to 0.58 cm³ g⁻¹, raised the Mn⁴⁺/Mn³⁺ ratio from 0.70 to 1.25, and increased the medium-strong-acid relative peak area from 555.4 to 1293.2 a.u. FeMnCe_0.3TiO_x maintained at least 90% NO conversion from 140 to 360 °C, gave 75% conversion at 400 °C, and averaged 97.4% during a 40 h dry-feed test at 350 °C. The results show that the superior Ce-modified catalyst arises from the combined regulation of texture, surface redox balance and acidity. Full article

(This article belongs to the Section Green Chemistry)

► Show Figures

Figure 1

21 pages, 353 KB

Open AccessArticle

Thermal Processing and Fortification with Ayocote and Quintonil Flours Affect Blue Maize Tortilla and Tortilla Chip Properties

by Edwin Rojo-Gutiérrez, Leticia Xochitl López-Martínez, Mónica Alejandra Villegas-Ochoa, Ezequiel Muñoz-Márquez and Ramiro Baeza-Jiménez

Molecules 2026, 31(16), 2774; https://doi.org/10.3390/molecules31162774 - 10 Aug 2026

Abstract

Modern food systems face the challenge of improving nutritional quality while reducing environmental impact and conserving agrobiodiversity. This study evaluated the effects of thermal processing and fortification with ayocote (Phaseolus coccineus) and quintonil (Amaranthus hybridus) flours on the physicochemical, [...] Read more.

Modern food systems face the challenge of improving nutritional quality while reducing environmental impact and conserving agrobiodiversity. This study evaluated the effects of thermal processing and fortification with ayocote (Phaseolus coccineus) and quintonil (Amaranthus hybridus) flours on the physicochemical, nutritional, and functional properties of blue maize tortillas, baked tortilla chips (BTCs), and fried tortilla chips (FTCs). Two nominal fortification levels (F1: 6% and F2: 9%) were incorporated into nixtamalized blue maize flour. The resulting products were characterized for proximate composition, mineral profile, color, texture, phenolic and flavonoid contents, antioxidant activity, and in vitro phenolic bioaccessibility. Fortification significantly increased protein, ash, mineral, phenolic, and flavonoid contents, particularly in F2 formulations, while maintaining adequate technological quality. Thermal processing influenced phytochemical content and antioxidant activity, although these effects depended on the parameter evaluated. BTCs generally exhibited higher flavonoid content and antioxidant capacity, whereas total phenolic content remained comparable between BTCs and FTCs. Fortification improved tortilla flexibility but increased tortilla chip hardness. During simulated gastrointestinal digestion, fortified products released more phenolics than the controls. BTC-F2 maintained the highest phenolic content after digestion, whereas tortilla formulations exhibited the greatest relative phenolic bioaccessibility. These findings demonstrate the potential of the underutilized native species ayocote and quintonil to enhance the nutritional and functional value of maize-based products. Full article

► Show Figures

Graphical abstract

18 pages, 5068 KB

Open AccessArticle

Mechanism-Guided Spray Deposition of Rutile TiO₂/Epoxy/ODTMS Superhydrophobic Coatings for Weather-Resistant Bamboo Sand Barriers

by Jun Tong, Yulin Shen, Minhua Huang, Huiwen Pang, Qian Yan and Lihong Yao

Molecules 2026, 31(16), 2773; https://doi.org/10.3390/molecules31162773 - 10 Aug 2026

Abstract

Bamboo is a renewable and mechanically robust bio-based material with potential for sand-barrier construction; however, its long-term outdoor use is limited by ultraviolet-induced photoaging, moisture uptake, wind-sand abrasion, and biological colonization. In this study, a fluorine-free EP/TiO₂/ODTMS superhydrophobic coating was deposited [...] Read more.

Bamboo is a renewable and mechanically robust bio-based material with potential for sand-barrier construction; however, its long-term outdoor use is limited by ultraviolet-induced photoaging, moisture uptake, wind-sand abrasion, and biological colonization. In this study, a fluorine-free EP/TiO₂/ODTMS superhydrophobic coating was deposited on moso bamboo using a simple spraying process. Rutile TiO₂ was incorporated as a roughness-building and ultraviolet-shielding filler, waterborne epoxy resin served as a film-forming binder to improve particle anchoring and coating cohesion, and octadecyltrimethoxysilane was used to reduce the surface energy. The formulation containing 50–100 nm rutile TiO₂ and 2 wt.% epoxy resin provided the best overall balance between surface wettability and mechanical durability, with a water contact angle of 156.4° and a sliding angle of 6.9°. SEM observations revealed a hierarchical surface composed of TiO₂ particles and microscale agglomerates immobilized within the epoxy matrix. EDS and FTIR results supported the incorporation of TiO₂- and ODTMS-derived components, while UV–Vis–NIR diffuse-reflectance measurements showed an improved optical response in the ultraviolet region. The coating retained superhydrophobicity after sandpaper abrasion, gravel impact, and tape-peeling tests. After 672 h of xenon-lamp aging, the coated bamboo maintained a water contact angle above 150°, exhibited a total color difference of approximately 7.65, and retained 91.1% of its initial flexural strength. In addition, qualitatively reduced visible mildew colonization was observed during 45 days of high-humidity exposure. These results demonstrate that the spray-deposited coating provides a fluorine-free and potentially scalable approach for improving the water repellency, mechanical durability, and accelerated-weathering resistance of bamboo sand-barrier materials. Full article

(This article belongs to the Section Materials Chemistry)

► Show Figures

Figure 1

19 pages, 7045 KB

Open AccessArticle

Green Synthesis and Characterization of ZnO/CoFe₂O₄ Nanocomposites for Photocatalytic Degradation of Tetracycline Under Visible Light

by Phan Thi Minh Huyen and Nguyen Xuan Dung

Molecules 2026, 31(16), 2772; https://doi.org/10.3390/molecules31162772 - 9 Aug 2026

Abstract

Antibiotic contamination of water, particularly by tetracycline (TC), requires effective and sustainable treatment strategies. In this study, CoFe₂O₄ nanoparticles were synthesized using lime juice as a natural stabilizing agent and combined with ZnO to obtain a ZnO/CoFe₂O₄ [...] Read more.

Antibiotic contamination of water, particularly by tetracycline (TC), requires effective and sustainable treatment strategies. In this study, CoFe₂O₄ nanoparticles were synthesized using lime juice as a natural stabilizing agent and combined with ZnO to obtain a ZnO/CoFe₂O₄ nanocomposite for visible-light-driven TC degradation. Complementary characterization confirmed the coexistence of ZnO and CoFe₂O₄ without detectable secondary phases, with predominantly spherical and irregular particles. The composite exhibited ferromagnetic behavior, suggesting potential magnetic recovery, and showed broader visible-light absorption and a reduced band gap of 3.05 eV compared with 3.23 eV for ZnO. Although its specific surface area and pore volume were lower than those of CoFe₂O₄, the nanocomposite displayed the highest photocatalytic performance. Under the optimized conditions of pH 6, 20 mg L⁻¹ TC, and 1 g L⁻¹ catalyst, 96.8% degradation was achieved after 120 min, with a pseudo-first-order rate constant of 0.029 min⁻¹. The degradation efficiency remained 88.3% after five cycles. Scavenger experiments identified photogenerated holes (h⁺) and hydroxyl radicals (·OH) as the dominant reactive species. The improved photocatalytic activity may be associated with interfacial interactions between ZnO and CoFe₂O₄, suggesting that the green-synthesized nanocomposite has potential as a visible-light photocatalyst for TC degradation under the investigated conditions. Full article

(This article belongs to the Special Issue Advances in Micro/Nanomaterials for Catalysis)

► Show Figures

Figure 1

34 pages, 8706 KB

Open AccessArticle

Sustainable Corrosion Mitigation Using Aqueous Spent Coffee Grounds Extract: Comparative Performance in Different Acidic Media

by Florina Brânzoi, Denisa-Ioana Răuță (Gheorghe), Roxana-Doina Truşcă and Sorin-Marius Avramescu

Molecules 2026, 31(16), 2771; https://doi.org/10.3390/molecules31162771 - 9 Aug 2026

Abstract

This study investigates the efficiency of green corrosion inhibitors derived from spent coffee grounds (SCGs) for OL 37 carbon steel in 0.5 M H₂SO₄ and 1 M HCl environments. The aqueous extracts, labeled K1 and K2, were obtained through specialized [...] Read more.

This study investigates the efficiency of green corrosion inhibitors derived from spent coffee grounds (SCGs) for OL 37 carbon steel in 0.5 M H₂SO₄ and 1 M HCl environments. The aqueous extracts, labeled K1 and K2, were obtained through specialized extraction techniques and characterized by HPLC. Their protective performance was investigated using potentiodynamic polarization and electrochemical impedance spectroscopy (EIS). FT-IR spectroscopy and SEM-EDX analysis confirmed the presence of a protective inhibitor film on the OL 37 surface, attributed to the adsorption of organic molecules from the SCGs extract (K1 and K2). The adsorption behavior followed the Langmuir isotherm, with high adsorption constants and standard free energy values (ΔG°_ads), indicating a mixed-mode adsorption mechanism. Furthermore, the negative Gibbs free energy values of adsorption confirm the spontaneity of the adsorption process. Thermodynamic studies conducted between 293 K and 333 K demonstrated the temperature dependence of the inhibition process. Results showed that at a concentration of 800 ppm and 1000 ppm, both inhibitors exhibited high efficiency, reaching 96% for K1 and 95% for K2. Full article

(This article belongs to the Special Issue Corrosion Mechanisms and Protection Technologies of Metallic Materials Under Harsh Environments)

► Show Figures

Figure 1

28 pages, 20351 KB

Open AccessArticle

Oxidative Stress-Associated Apoptotic Responses Induced by Lantana camara L. Flower–Derived Zinc Oxide Nanoparticles in Human Non-Small Cell Lung Cancer (NCI-H460) Cells

by Essa M. Sabi, Ahmed H. Mujamammi, Khalil I. Zarea, Ziyad M. Althafar and Khalid M. Sumaily

Molecules 2026, 31(16), 2770; https://doi.org/10.3390/molecules31162770 - 9 Aug 2026

Abstract

Lung cancer remains a leading cause of cancer-related mortality worldwide, underscoring the need for safer and more effective therapeutic strategies. In this study, zinc oxide nanoparticles (ZnO NPs) were synthesized via a green, biogenic approach using Lantana camara L. flower aqueous extract and [...] Read more.

Lung cancer remains a leading cause of cancer-related mortality worldwide, underscoring the need for safer and more effective therapeutic strategies. In this study, zinc oxide nanoparticles (ZnO NPs) were synthesized via a green, biogenic approach using Lantana camara L. flower aqueous extract and evaluated for their anticancer potential against human non-small cell lung cancer (NSCLC) NCI-H460 cells. The biosynthesized ZnO NPs were characterized using UV-visible spectroscopy, Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), Transmission electron microscopy (TEM), energy-dispersive X-ray analysis (EDX), X-ray diffraction (XRD) and particle size analysis, confirming the formation of nanocrystalline ZnO. LC-MS profiling of the Lantana camara flower extract revealed the presence of several bioactive phytochemicals, including phenolic compounds, terpenoids, fatty acids, and alkaloids, which may contribute to the reduction and stabilization of ZnO NPs during green synthesis. Cytotoxicity assessment of ZnO NPs using MTT and trypan blue exclusion assays revealed a dose-dependent reduction in cell viability, with an IC₅₀ value of 50 µg/mL. Mechanistic investigations demonstrated that ZnO NP exposure induced significant oxidative stress, evidenced by increased nitric oxide, lipid peroxidation, and reactive oxygen species levels, along with depletion of intracellular glutathione. Apoptotic cell death was further confirmed by nuclear DNA fragmentation, mitochondrial membrane depolarization, and G0/G1 phase cell cycle arrest. Quantitative real-time PCR analysis revealed upregulation of the pro-apoptotic genes Bax and p53, accompanied by downregulation of the anti-apoptotic gene Bcl-2, indicating activation of a mitochondrial-dependent intrinsic apoptotic pathway. Collectively, these findings suggest that Lantana camara L. flower-mediated ZnO nanoparticles induced apoptotic responses associated with oxidative stress in NSCLC cells, highlighting their ability as an eco-friendly nanoplatform for further anticancer investigations. Full article

(This article belongs to the Special Issue Plant-Based Green Synthesis of Nanoparticles and Their Bioactivity Study)

► Show Figures

Figure 1

17 pages, 1816 KB

Open AccessArticle

Optimization of Extraction Process for Total Flavonoids and Crude Polysaccharides from Nephrolepis cordifolia and Assessment of Their In Vitro Antioxidant Properties

by Yuping Zhong, Xinran Xiong, Yunxuan Lv, Yongchang Chen, Zhiwei Liu, Xiaonan Zhang and Zuoliang Zheng

Molecules 2026, 31(16), 2769; https://doi.org/10.3390/molecules31162769 - 9 Aug 2026

Abstract

This study systematically optimized the extraction processes of two bioactive constituents, total flavonoids and crude polysaccharides, from the dried underground tubers of Nephrolepis cordifolia (L.) C. Presl, and further comprehensively characterized their in vitro antioxidant activities. For total flavonoid extraction, an ethanol–ammonium sulfate [...] Read more.

This study systematically optimized the extraction processes of two bioactive constituents, total flavonoids and crude polysaccharides, from the dried underground tubers of Nephrolepis cordifolia (L.) C. Presl, and further comprehensively characterized their in vitro antioxidant activities. For total flavonoid extraction, an ethanol–ammonium sulfate aqueous two-phase system (ATPS) was integrated with ultrasonic-assisted aqueous two-phase extraction (UATPE), and the process parameters were optimized via Box–Behnken design-based response surface methodology (RSM) using total flavonoid content (TFC) as the primary response indicator. The validated optimal conditions were determined as follows: extraction time of 40.67 min, solid-to-liquid ratio of 1:30.71 (g/mL), ammonium sulfate mass fraction of 24.03%, and ethanol concentration of 35% (v/v). Under these optimized conditions, the TFC reached (54.83

\pm 1.58)

mg rutin equivalents per gram dry weight (mg RE/g DW), which was significantly higher than the values obtained from conventional ATPS [(49.05

\pm 0.41)

(mg RE/g DW)] and traditional ethanol extraction [(28.68

\pm 1.54)

(mg RE/g DW)] (p < 0.05). For crude polysaccharide production, an ultrasonic-assisted water extraction followed by ethanol precipitation protocol was adopted, and parameters were screened through an L₉ (3³) orthogonal experimental design. The obtained optimal extraction parameters were an extraction time of 10 min, three extraction cycles, and solid-to-liquid ratio of 1:15 (g/mL). A maximum crude polysaccharide yield of (14.89

\pm 0.18)

% was achieved under these conditions, with a relative standard deviation of 1.21% (n = 3) across parallel validation tests. Subsequent antioxidant assays demonstrated that the total flavonoid fraction from Nephrolepis cordifolia exhibited potent scavenging capacities against both 1,1-Diphenyl-2-picrylhydrazyl radical (DPPH•) and 2,2′-Azinobis-(3-ethylbenzthiazoline-6-sulphonate) radical cation (ABTS•⁺) radicals. Within the tested concentration range of 0.1–0.5 m g/mL, the crude polysaccharide presented a significant positive concentration-dependent enhancement of activity in four classical in vitro antioxidant systems, including DPPH radical scavenging, ABTS cation radical scavenging, hydroxyl radical scavenging, and total reducing power. Collectively, these findings confirm that the introduced ultrasonic-assisted extraction strategy remarkably improves the recovery efficiency of target bioactive components from Nephrolepis cordifolia. Both total flavonoids and crude polysaccharides display excellent in vitro free radical scavenging potential. This work provides a solid methodological basis for the efficient preparation of the two bioactive compounds, and highlights that Nephrolepis cordifolia is a promising candidate for further exploration as a natural antioxidant source. Full article

(This article belongs to the Special Issue Back to Nature: Pharmacological Activities of Phytochemicals Isolated from Medicinal Plants)

► Show Figures

Figure 1

21 pages, 9241 KB

Open AccessArticle

Apigenin Derivatives Alleviate OVA-Induced Oxidative Stress in Bronchial Asthma: A Structure-Activity Relationship Study

by Chenliang Li, Lijin Xiao, Wei Wu, Lingyang Kong, Shuyuan Yue, Zhijie Zhan, Jiao Xu and Wei Ma

Molecules 2026, 31(16), 2768; https://doi.org/10.3390/molecules31162768 - 9 Aug 2026

Abstract

Apigenin (API) is a flavonoid compound widely distributed in nature. The global prevalence of asthma is increasing year by year, influenced by various factors and difficult to cure completely, and new drugs and therapies are constantly emerging. Although API is a low-toxicity flavonoid [...] Read more.

Apigenin (API) is a flavonoid compound widely distributed in nature. The global prevalence of asthma is increasing year by year, influenced by various factors and difficult to cure completely, and new drugs and therapies are constantly emerging. Although API is a low-toxicity flavonoid compound, its poor water solubility and low bioavailability present limitations in the treatment of asthma. In this study, the structure of API was chemically modified by introducing acyl and alkyl groups while preserving its original structure. The structures were identified using FT-IR, ¹H-NMR and ¹³C-NMR spectroscopy, yielding derivatives (A–J). To further investigate the effects of structural modifications on API’s biological activity, an ovalbumin (OVA)-induced asthma model was established in mice to evaluate the antioxidants’ activity. Hematoxylin-eosin staining was used to observe pathological changes in lung tissue, and oxidative stress-related parameters, including ROS, SOD, and MDA, were measured to assess the derivatives’ protective effects against oxidative damage. The results showed that the 10 synthetic derivatives exhibited varying degrees of oxidative stress during treatment. Compared with the model group, the API derivative treatment group significantly reduced ROS and MDA levels and increased SOD activity. Moreover, treatment with the compounds reduced the levels of pro-inflammatory cytokines, including TNF-α, IL-6, and IL-1β, and decreased serum IgE levels. Histopathological examination further demonstrated that the compounds alleviated inflammatory cell infiltration and tissue damage in the lungs. Structure-activity analysis indicated that, among the 10 derivatives, the tri-substituted API derivatives exhibited superior antioxidant activity compared to the di-substituted API derivatives. By modifying the chemical structure of API, its antioxidant activity in OVA-induced bronchial asthma was significantly enhanced. 5,7,4′-O-triethyl API and 5,7,4′-O-triacetyl API demonstrated therapeutic effects comparable to those of dexamethasone and show promise as lead compounds for the development of novel asthma treatments. Full article

► Show Figures

Figure 1

15 pages, 2388 KB

Open AccessArticle

In-Situ Growth of Bimetallic ZnCo-ZIF-67 on Carbon Fibers as High-Efficiency Catalyst for Enhancing Thermal Decomposition of Ammonium Perchlorate

by Junyu Li, Zhican Lu, Qihui Zeng, Fang Wang, Bo Yuan, Zeyu Zheng, Xiaolin Tang, Yifu Zhang and Chi Huang

Molecules 2026, 31(16), 2767; https://doi.org/10.3390/molecules31162767 - 9 Aug 2026

Abstract

Due to its abundant active sites, the bimetallic zeolite imidazole framework ZnCo-ZIF-67 exhibits excellent catalytic performance on the key oxidant ammonium perchlorate in composite solid propellants. In addition, carbon fiber has been proven to promote the combustion of propellants due to its high [...] Read more.

Due to its abundant active sites, the bimetallic zeolite imidazole framework ZnCo-ZIF-67 exhibits excellent catalytic performance on the key oxidant ammonium perchlorate in composite solid propellants. In addition, carbon fiber has been proven to promote the combustion of propellants due to its high thermal conductivity efficiency. In order to integrate the advantages of both, this study designed and prepared a novel composite catalyst, ZnCo-ZIF-67/CF, by a co-precipitation method. The thermal decomposition test demonstrated that the ZnCo-ZIF-67/CF composite exhibited significant catalytic activity. When the addition amount was 5 wt%, the high-temperature decomposition peak temperature of AP decreased significantly from 424.3 °C to 337.2 °C, and the combustion process was also significantly accelerated. Furthermore, analysis of the products of thermal decomposition gases revealed a significant increase in the proportion of N₂O in the catalyzed products to 55.7%, whilst the proportion of high oxidation state nitrogen-containing oxides such as NO₂ and NOCl decreased. This finding suggests that the highly dispersed metal active sites in ZnCo-ZIF-67/CF synergistically promote the decomposition reaction pathway of AP, leading to enhanced N₂O generation. This study proposes a novel approach for the development of efficient and stable AP decomposition catalysts, which has positive significance for the regulation of the combustion performance of propellants. Full article

(This article belongs to the Special Issue Decoding Structures from Molecules to Crystals/Solutions: Characterization and Computational Simulations)

► Show Figures

Figure 1

Journal Description

Molecules

Latest Articles

Journal Menu

Journal Browser

Highly Accessed Articles

Latest Books

E-Mail Alert

News

Topics

Conferences

Special Issues

Topical Collections

Further Information

Guidelines

MDPI Initiatives

Follow MDPI