Molecules

12 pages, 1331 KiB

Open AccessArticle

RNA-Binding Motif Protein 22 Induces Apoptosis via c-Myc Pathway in Colon Cancer Cells

by Ye-Rin Park, So-Mi Park, Nanyeong Kim, Jihoon Jung, Seokwoo Kim, Kwan-Il Kim and Hyeung-Jin Jang

Molecules 2025, 30(6), 1227; https://doi.org/10.3390/molecules30061227 (registering DOI) - 9 Mar 2025

Abstract

RNA-binding motif 22 (RBM22) is an RNA-binding protein involved in gene regulation, with the capacity to bind DNA and function as a transcription factor for various target genes. Recent studies demonstrated that RBM22 depletion affects cell viability and proliferation of glioblastoma and breast [...] Read more.

RNA-binding motif 22 (RBM22) is an RNA-binding protein involved in gene regulation, with the capacity to bind DNA and function as a transcription factor for various target genes. Recent studies demonstrated that RBM22 depletion affects cell viability and proliferation of glioblastoma and breast cancer cells. However, the role of RBM22 in colon cancer and the molecular mechanisms underlying its tumor-suppressive function remain largely unclear. In this study, we demonstrate that RBM22 induces apoptosis and suppresses colon cancer cell viability and proliferation by modulating c-Myc expression. Furthermore, RBM22 knockdown reduces c-Myc stability. Therefore, our findings suggest that RBM22 depletion regulates cancer cell proliferation and induces apoptosis via the c-Myc pathway. Full article

(This article belongs to the Special Issue Design, Synthesis and Biological Activity of Novel Antitumor Drugs)

13 pages, 5061 KiB

Open AccessArticle

In Silico Investigation of Mineralocorticoid Receptor Antagonists: Insights into Binding Mechanisms and Structural Dynamics

by Julia J. Liang, Sara Cao, Andrew Hung, Assam El-Osta, Tom C. Karagiannis and Morag J. Young

Molecules 2025, 30(6), 1226; https://doi.org/10.3390/molecules30061226 (registering DOI) - 9 Mar 2025

Abstract

The mineralocorticoid receptor (MR) is a steroid hormone receptor that plays a key role in regulating sodium and water homeostasis and blood pressure. MR antagonists are a guideline recommended for therapy for the treatment of hypertension and cardiovascular disease but can cause hyperkalaemia. [...] Read more.

The mineralocorticoid receptor (MR) is a steroid hormone receptor that plays a key role in regulating sodium and water homeostasis and blood pressure. MR antagonists are a guideline recommended for therapy for the treatment of hypertension and cardiovascular disease but can cause hyperkalaemia. Modelling was performed for binding of the endogenous ligands aldosterone and cortisol and MR antagonist spironolactone to the ligand binding domain (LBD) of the MR. A molecular docking screen of compounds that were structurally similar to known antagonists was performed, leading to the identification of two novel compounds, C79 and E67. Molecular dynamics (MD) assessed the dynamic interactions with C79, E76, endogenous ligands, and spironolactone with the MR ligand binding domain (LBD). Analysis of the protein backbone showed modest changes in the overall structure of the MR LBD in response to binding of antagonists, with movement in helix 12 consistent with previous observations. All ligands tested maintained stable binding within the MR LBD throughout the simulations. Hydrogen bond formation played a more prominent role in the binding of endogenous ligands compared to antagonists. MM-PBSA binding free energy calculations showed that all ligands had similar binding affinities, with binding facilitated by key residues within the binding site. The novel antagonists demonstrated similar binding properties to spironolactone, warranting further evaluation. This study provides insights into the molecular mechanisms of MR activation and inhibition, which can aid in the development of novel therapeutic strategies for cardiovascular diseases. Full article

(This article belongs to the Special Issue Protein-Ligand Interactions)

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17 pages, 494 KiB

Open AccessArticle

New Gluten-Free Extruded Snack-Type Products Based on Rice and Chickpea and Fortified with Passion Fruit Skin: Extrusion Cooking Effect on Phenolic Composition, Non-Nutritional Factors, and Antioxidant Properties

by María Ciudad-Mulero, Erika N. Vega, Patricia García-Herrera, Samuel Fernández-Tomé, Mercedes M. Pedrosa, Claudia Arribas, José De J. Berrios, James Pan, Priscila Leal, Montaña Cámara, Virginia Fernández-Ruiz and Patricia Morales

Molecules 2025, 30(6), 1225; https://doi.org/10.3390/molecules30061225 (registering DOI) - 9 Mar 2025

Abstract

The incorporation of pulse flour into gluten-free extruded snacks based on cereals improves the functional properties as well as the nutritional value of these types of products. The aim of this study was to investigate the changes induced by the extrusion process on [...] Read more.

The incorporation of pulse flour into gluten-free extruded snacks based on cereals improves the functional properties as well as the nutritional value of these types of products. The aim of this study was to investigate the changes induced by the extrusion process on the functional properties in terms of the concentration of total phenolic compounds (TPC), phenolic families (hydroxybenzoic acids, hydroxycinnamic acids, and flavonols), and non-nutritional factors (inositol phosphates and trypsin inhibitors) of extruded snack-type products developed from novel formulations based on rice-chickpea flours and fortified with different percentages of Fibersol^® and passion-fruit-skin flour. The in vitro antioxidant activity of the studied formulations was evaluated to explore their potential for developing sustainable snack-type products with added functional value. The results demonstrated that extrusion treatment caused a statistically significant (p < 0.05) decrease (12–30%) in TPC. Despite this reduction, the extruded formulations preserve an interesting content of these compounds, with hydroxybenzoic acids being the majority in the analyzed formulations. The extrusion process maintained or decreased the content of phytate and total inositol phosphates in samples fortified with passion fruit and Fibersol^®. A significant reduction (p < 0.05) of trypsin inhibitor activity (between 86.7% and 95.8%) was observed when comparing extruded samples to their raw counterpart. The antioxidant activity in vitro of the formulations was assessed. The results obtained by the Folin–Ciocalteu method indicated that extrusion caused a decrease in the antioxidant activity of 50% of the analyzed samples, while in the others, no changes were observed. DPPH and FRAP assays tended to demonstrate an increase in antioxidant activity. In general, the highest values were obtained by applying the DPPH method. Additionally, the effects of the ingredients used for fortifying the formulations were investigated. The results highlighted the complexity of the analyzed formulations, revealing that their composition is influenced not only by the presence of Fibersol^® and passion fruit but also by the interaction between these two ingredients. Full article

(This article belongs to the Special Issue Plant Foods Ingredients as Functional Foods and Nutraceuticals III)

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19 pages, 3809 KiB

Open AccessArticle

Seeking Correlation Among Porin Permeabilities and Minimum Inhibitory Concentrations Through Machine Learning: A Promising Route to the Essential Molecular Descriptors

by Sara Boi, Silvia Puxeddu, Ilenia Delogu, Domenica Farci, Dario Piano, Aldo Manzin, Matteo Ceccarelli, Fabrizio Angius, Mariano Andrea Scorciapino and Stefan Milenkovic

Molecules 2025, 30(6), 1224; https://doi.org/10.3390/molecules30061224 (registering DOI) - 9 Mar 2025

Abstract

Developing effective antibiotics against Gram-negative bacteria remains challenging due to their protective outer membrane. With this study, we investigated the relationship between antibiotic permeation through the OmpF porin of Escherichia coli and antimicrobial efficacy. We measured the relative permeability coefficients (RPCs) through the [...] Read more.

Developing effective antibiotics against Gram-negative bacteria remains challenging due to their protective outer membrane. With this study, we investigated the relationship between antibiotic permeation through the OmpF porin of Escherichia coli and antimicrobial efficacy. We measured the relative permeability coefficients (RPCs) through the bacterial porin by liposome swelling assays, including non-antibacterial molecules, and the minimum inhibitory concentrations (MICs) against E. coli. We developed a machine learning (ML) approach by combining classification and regression models to correlate these data sets. Our strategy allowed us to quantify the negative correlation between RPC and MIC values, clearly indicating that increased permeability through OmpF generally leads to improved antimicrobial activity. Moreover, the correlation was remarkable only for compounds with significant permeability coefficients. Conversely, when permeation ability is low, other factors play the most significant role in antimicrobial potency. Importantly, the proposed ML-based approach was set by exploiting the available seminal information from previous investigations in order to keep the number of molecular descriptors to the minimum for greater interpretability. This provided valuable insights into the complex interplay between different molecular properties in defining the overall outer membrane permeation and, consequently, the antimicrobial efficacy. From a practical perspective, the presented approach does not aim at identifying the “golden rule” for boosting antibiotic potency. The automated protocol presented here could be used to inspect, in silico, many alternatives of a given molecular structure, with the output being the list of the best candidates to be then synthesized and tested. This could be a valuable in silico tool for researchers in both academia and industry to rapidly evaluate novel potential compounds and reduce costs and time during the early drug discovery stage. Full article

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18 pages, 2481 KiB

Open AccessArticle

Physicochemical Characteristics, Antioxidant Properties, and Identification of Bioactive Compounds in Australian Stingless Bee Honey Using High-Performance Thin-Layer Chromatography

by Mariana Mello dos Santos, Tomislav Sostaric, Lee Yong Lim and Cornelia Locher

Molecules 2025, 30(6), 1223; https://doi.org/10.3390/molecules30061223 (registering DOI) - 9 Mar 2025

Abstract

This study investigates the physiochemical properties, chemical composition, and antioxidant activity of Australian stingless bee honey blends from two bee species, Tetragonula carbonaria and Tetragonula hockingsi, harvested in Burpengary East, Queensland at different times of the year. The moisture content of the [...] Read more.

This study investigates the physiochemical properties, chemical composition, and antioxidant activity of Australian stingless bee honey blends from two bee species, Tetragonula carbonaria and Tetragonula hockingsi, harvested in Burpengary East, Queensland at different times of the year. The moisture content of the honey samples ranged from 26.5% to 30.0%, total soluble solids from 70.0 to 73.5° Brix, and pH from 3.57 to 4.19. The main sugars identified were trehalulose (13.9 to 30.3 g/100 g), fructose (12.9 to 32.3 g/100 g), and glucose (4.80 to 23.7 g/100 g). The total phenolic content (TPC), measured using the Folin–Ciocalteu assay, ranged from 26.1 to 58.6 mg of gallic acid equivalents/100 g. The antioxidant activity was investigated with the 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay, with values ranging from 1.39 to 6.08 mmol of Trolox equivalents/kg. Antioxidant constituents were determined using a High-Performance Thin-Layer Chromatography (HPTLC)-DPPH assay. The HPTLC-DPPH analysis revealed that honey samples collected in May 2022 contained the highest number of antioxidant compounds. Some constituents were identified using an HPTLC-derived database and also quantified utilising HPTLC analysis. Lumichrome was present in all honey samples, while luteolin and kaempferide were detected only in some. Kaempferol or isorhamnetin was also found to be present, although a definitive distinction between these two chemically closely related compounds could not be made by HPTLC analysis. The results showed that honey produced by Tetragonula hockingsi and Tetragonula carbonaria shares similar properties and composition when harvested at the same time, with only minor differences in moisture, fructose, and glucose content. Full article

(This article belongs to the Special Issue Plant-Based Food Science: Chemical Composition and Biological Activity)

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18 pages, 8484 KiB

Open AccessArticle

Magnetic Hyperthermia Method Synthesis of Water-Soluble Silicon–Carbon Dots: Excitation-Independent Fluorescence Materials

by Bing-Yu Li, Chun-Yan She, Jun-Chao Deng, Wen-Ming Shu and Wei-Chu Yu

Molecules 2025, 30(6), 1222; https://doi.org/10.3390/molecules30061222 (registering DOI) - 9 Mar 2025

Abstract

Carbon dots (CDs) have attracted widespread attention in recent years due to their synthetic simplicity, biocompatibility, and unique photoluminescent behavior. In this work, water-soluble silicon–carbon dots (SiCDs) were synthesized, and their properties were evaluated. First, a series of SiCDs was prepared by using [...] Read more.

Carbon dots (CDs) have attracted widespread attention in recent years due to their synthetic simplicity, biocompatibility, and unique photoluminescent behavior. In this work, water-soluble silicon–carbon dots (SiCDs) were synthesized, and their properties were evaluated. First, a series of SiCDs was prepared by using a novel magnetic hyperthermia method from citric acid (CA) and 3-(2-aminoethylamino) propyldimethoxymethylsilane (AEAMPS). Then, based on the Stöber method, silica (SiO₂) was loaded onto the SiCDs in a one-pot reaction to obtain SiCDs@SiO₂ microspheres. This synthesis strategy is safe, efficient, and simple, allowing gram-scale production in a short time. The resulting SiCDs@SiO₂ microspheres exhibited excellent fluorescent performance, along with high water solubility and independence of excitation fluorescence. The SiCDs@SiO₂ microspheres possessed good thermal resistance and acid–base stability. The influence of storage time and different metal ions on the microsphere suspension was minimal. The SiCDs@SiO₂ microspheres show potential applications for water detection in horizontal wells as fluorescent markers. Full article

(This article belongs to the Special Issue Organic and Inorganic Luminescent Materials, 2nd Edition)

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13 pages, 4116 KiB

Open AccessArticle

Excited-State-Altering Ratiometric Fluorescent Probes for the Response of β-Galactosidase in Senescent Cells

by Ya-Nan Han, Lei Dong, Lu-Lu Sun, Wen-Jia Li, Jianjing Xie, Congyu Li, Shuhui Ren, Zhan Zhang, Hai-Hao Han and Zhong Zhang

Molecules 2025, 30(6), 1221; https://doi.org/10.3390/molecules30061221 (registering DOI) - 8 Mar 2025

Abstract

β-galactosidase (β-Gal) has emerged as a pivotal biomarker for the comprehensive investigation of diseases associated with cellular senescence. The development of a fluorescent sensor is of considerable importance for precisely detecting the activity and spatial distribution of β-Gal. In [...] Read more.

β-galactosidase (β-Gal) has emerged as a pivotal biomarker for the comprehensive investigation of diseases associated with cellular senescence. The development of a fluorescent sensor is of considerable importance for precisely detecting the activity and spatial distribution of β-Gal. In this study, we developed two excited-state-altering responsive fluorescent sensors (TF1 and TF2) for ratiometric detection of β-Gal. Two TCF dyes, composed of tricyanofuran (TCF) and naphthol units, feature electron “pull–push” systems and are quenched fluorescence by β-Gal. Upon β-Gal hydrolysis, a significant ratiometric shift in absorption from ca. 475 nm to 630 nm is observed, accompanied by the emergence of a fluorescence signal at ca. 660 nm. The enzyme-responsive optical red-shifts are attributed to the excited-state transition from intramolecular charge transfer (ICT) state to local excited (LE) state, which was confirmed by density functional theory (DFT) calculations. Both fluorescent sensors display exceptional sensitivity and selectivity for the response of β-Gal in PBS solution and are capable of tracking β-Gal within senescent A549 cells. This study introduces a framework for developing multimodal optical probes by systematically modulating excited-state properties, demonstrating their utility in senescence studies, diagnostic assay design, and therapeutic assessment. Full article

(This article belongs to the Special Issue Fluorescent Probes in Biomedical Detection and Imaging)

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28 pages, 3970 KiB

Open AccessReview

Beyond Static Tethering at Membrane Contact Sites: Structural Dynamics and Functional Implications of VAP Proteins

by Takashi S. Kodama, Kyoko Furuita and Chojiro Kojima

Molecules 2025, 30(6), 1220; https://doi.org/10.3390/molecules30061220 (registering DOI) - 8 Mar 2025

Abstract

The membranes surrounding the eukaryotic cell and its organelles are continuously invaginating, budding, and undergoing membrane fusion–fission events, which enable them to perform functions not found in prokaryotic cells. In addition, organelles come into close contact with each other at membrane contact sites [...] Read more.

The membranes surrounding the eukaryotic cell and its organelles are continuously invaginating, budding, and undergoing membrane fusion–fission events, which enable them to perform functions not found in prokaryotic cells. In addition, organelles come into close contact with each other at membrane contact sites (MCSs), which involve many types of proteins, and which regulate the signaling and transport of various molecules. Vesicle-associated membrane protein (VAMP)-associated protein (VAP) is an important factor involved in the tethering and contact of various organelles at MCSs in almost all eukaryotes and has attracted attention for its association with various diseases, mainly neurodegenerative diseases such as amyotrophic lateral sclerosis (ALS). However, the detailed mechanism of its functional expression remains unclear. In this review, we quantitatively discuss the structural dynamics of the entire molecule, including intrinsically disordered regions and intramolecular and intermolecular interactions, focusing on the vertebrate VAP paralogs VAPA and VAPB. Molecular phylogenetic and biophysical considerations are the basis of the work. Full article

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16 pages, 1943 KiB

Open AccessArticle

NiMoS-Modified Carbon Felt Electrode for Improved Efficiency and Stability in a Neutral S/Fe Redox Flow Battery

by Dan Mei, Bowen Liu, Haiqing Ma, Zhaoguo Zhang, Fan Wu, Yanan Chen, Jawad Ali, Futang Xing and Liangbin Xiong

Molecules 2025, 30(6), 1219; https://doi.org/10.3390/molecules30061219 (registering DOI) - 8 Mar 2025

Abstract

Polysulfide-ferricyanide redox flow batteries (PFRFBs) are gaining significant attention in long-duration energy storage for their abundant availability and environmental benignity. However, the sluggish kinetics of the polysulfide redox reactions have tremendously constrained their performances. To address this issue, we developed a NiMoS catalyst-modified [...] Read more.

Polysulfide-ferricyanide redox flow batteries (PFRFBs) are gaining significant attention in long-duration energy storage for their abundant availability and environmental benignity. However, the sluggish kinetics of the polysulfide redox reactions have tremendously constrained their performances. To address this issue, we developed a NiMoS catalyst-modified carbon felt (NiMoS-CF) electrode, which significantly accelerates the electrochemical reaction rates and enhances the cycling stability of PFRFB. Our PFRFB system, integrated with the NiMoS-CF electrode, exhibited an energy efficiency of 70% and a voltage efficiency of 87%, with a remarkable doubling of its cycle life as opposed to the pristine carbon felt (CF) electrode at a current density of 40 mA cm⁻². Notably, during 2500 cycles of charge–discharge testing, we achieved an average coulombic efficiency exceeding 99%. These improvements in PFRFB performance can be attributed to the NiMoS-CF electrode’s large surface area, low resistance, and robust redox activity. This study offerings a novel approach for enhancing the electrochemical reaction kinetics and cycling stability in PFRFBs, laying a scientific foundation in the applications of practical PFRFBs for next-generation energy storage. Full article

(This article belongs to the Special Issue Electroanalysis of Biochemistry and Material Chemistry—2nd Edition)

28 pages, 6188 KiB

Open AccessReview

Unlocking the Potential of Gallic Acid-Based Metal Phenolic Networks for Innovative Adsorbent Design

by Shella Permatasari Santoso, Artik Elisa Angkawijaya, Kuan-Chen Cheng, Shin-Ping Lin, Hsien-Yi Hsu, Chang-Wei Hsieh, Astrid Rahmawati, Osamu Shimomura and Suryadi Ismadji

Molecules 2025, 30(6), 1218; https://doi.org/10.3390/molecules30061218 (registering DOI) - 8 Mar 2025

Abstract

Metal phenolic networks (MPNs) have attracted significant attention due to their environmentally benign nature, broad compatibility, and universal adhesive properties, making them highly effective for modifying adsorbent surfaces. These supramolecular complexes are formed through the coordination of metal ions with natural phenolic ligands, [...] Read more.

Metal phenolic networks (MPNs) have attracted significant attention due to their environmentally benign nature, broad compatibility, and universal adhesive properties, making them highly effective for modifying adsorbent surfaces. These supramolecular complexes are formed through the coordination of metal ions with natural phenolic ligands, resulting in stable structures while retaining the active adsorption sites of the ligands, thereby enhancing the adsorption performance of unmodified substrates. Among various MPNs, metal ion gallic acid (GA) networks are particularly well-known for their exceptional stability, biological activity, and superior adsorption ability. This review offers a comprehensive examination of GA-based MPN adsorbents, focusing on their formation chemistry, characterization techniques, and applications. The coordination chemistry underlying the stability of GA–metal complexes is analyzed through equilibrium studies, which are critical for understanding the robustness of MPNs. The main analytical methods for assessing metal ligand interactions are discussed, along with additional characterization techniques for evaluating adsorbent properties. This review also explores various synthesis and performance enhancement strategies for GA-based MPN adsorbents, including stand-alone MPNs, MPN-mediated mesoporous materials, MPN-MOF composites, and MPN-coated substrates. By consolidating current advancements in MPN-based adsorbents and offering fundamental insights into their chemistry and characterization, this review serves as a valuable resource for researchers seeking to develop stable, functional metal-organic materials. It aims to drive innovation in sustainable and efficient adsorbent technologies for diverse environmental and industrial applications. Full article

(This article belongs to the Special Issue Efficient Chemical Technologies and Adsorbents for Environmental Pollution Removal and Wastes Recycling II)

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23 pages, 3298 KiB

Open AccessReview

New Horizon in Selective Tocols Extraction from Deodorizer Distillates Under Mild Conditions by Using Deep Eutectic Solvents

by Dian Maria Ulfa, Asep Bayu, Siti Irma Rahmawati, Peni Ahmadi, Masteria Yunovilsa Putra, Surachai Karnjanakom, Guoqing Guan and Abdul Mun’im

Molecules 2025, 30(6), 1217; https://doi.org/10.3390/molecules30061217 (registering DOI) - 8 Mar 2025

Abstract

Tocols are commonly known as vitamin E, which comprise tocopherols and tocotrienols. Although vegetable oils are natural sources of tocols, deodorizer distillates (DDs) are attractive feedstock due to their potential abundance from oil refining processes and economic price. Deep eutectic solvents (DESs) are [...] Read more.

Tocols are commonly known as vitamin E, which comprise tocopherols and tocotrienols. Although vegetable oils are natural sources of tocols, deodorizer distillates (DDs) are attractive feedstock due to their potential abundance from oil refining processes and economic price. Deep eutectic solvents (DESs) are a family of neoteric solvents that show promising performance for tocols extraction. Besides their characters occupying the green chemistry concept, this review presents the current research on the potential performances of DESs in extracting tocols selectively and efficiently from DDs. The application of DESs in tocols extraction is presented considering three different ways: mono-phasic, in situ DESs formation, and bi-phasic systems. The basic principles of intermolecular interactions (H-bond, van der Walls bond, and misfit interaction) between DESs or their components with tocols are discussed to understand the mechanism by which DESs selectively extract tocols from the mixture. This is mainly observed to be a function of the intrinsic properties of DESs and/or tocols, which could be beneficial for tuning the appropriate DESs for extracting tocols selectively and effectively under mild operation conditions. This review is expected to provide insight in the potential application of DESs in the extracting of natural compounds with a phenolic structure and also briefly discusses the toxicity of DESs. Full article

(This article belongs to the Section Green Chemistry)

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17 pages, 716 KiB

Open AccessArticle

Fabrication and Evaluation of Polyhydroxyalkanoate-Based Nanoparticles for Curcumin Delivery in Biomedical Applications

by Fawzia Sha’at, Dana Miu, Mihaela Carmen Eremia, Georgeta Neagu, Adrian Albulescu, Radu Albulescu, Mihaela Deaconu, Mariana Gratiela Vladu and Ramona-Daniela Pavaloiu

Molecules 2025, 30(6), 1216; https://doi.org/10.3390/molecules30061216 (registering DOI) - 8 Mar 2025

Abstract

This study investigates the fabrication and characterization of polymeric nanoparticles based on polyhydroxyalkanoates (PHAs) loaded with curcumin for biomedical applications. PHAs, biodegradable and biocompatible polymers, were synthesized via bacterial fermentation and used to encapsulate curcumin using the nanoprecipitation method. The resulting nanoparticles were [...] Read more.

This study investigates the fabrication and characterization of polymeric nanoparticles based on polyhydroxyalkanoates (PHAs) loaded with curcumin for biomedical applications. PHAs, biodegradable and biocompatible polymers, were synthesized via bacterial fermentation and used to encapsulate curcumin using the nanoprecipitation method. The resulting nanoparticles were characterized for their particle size, polydispersity index, and encapsulation efficiency, achieving high entrapment rates (above 80%) and nanometric size distribution. Stability assessments demonstrated prolonged structural integrity under storage conditions. In vitro release studies conducted in phosphate-buffered saline at pH 5 and 7.4 revealed sustained drug release profiles. Biocompatibility and cytotoxicity assays using human astrocytes and fibroblasts confirmed the nanoparticles’ safety, while antiproliferative tests on glioblastoma and colon cancer cell lines indicated potential therapeutic efficacy. Additionally, skin irritation and corrosion tests using the EpiDerm™ model classified the formulations as non-irritant and non-corrosive. These findings suggest that PHA-based nanoparticles offer a promising nanocarrier system for curcumin delivery, with potential applications in cancer treatment and regenerative medicine. Future research should focus on optimizing the formulation and evaluating in vivo therapeutic effects. Full article

(This article belongs to the Special Issue Molecular Approaches to Drug Discovery and Development)

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16 pages, 998 KiB

Open AccessArticle

Evaluation of NO Synthase Activity in Meat-Brining Solutions: Implications for Meat Curing and Color Stability

by Marzena Zając and Rafał Szram

Molecules 2025, 30(6), 1215; https://doi.org/10.3390/molecules30061215 (registering DOI) - 8 Mar 2025

Abstract

L-arginine is a substrate for nitric oxide synthase, which, in its optimal conditions in a living organism, generates nitric oxide. In this presented research, we test the hypothesis that nitric oxide can be produced in a solution in which L-arginine, inducible nitric oxide [...] Read more.

L-arginine is a substrate for nitric oxide synthase, which, in its optimal conditions in a living organism, generates nitric oxide. In this presented research, we test the hypothesis that nitric oxide can be produced in a solution in which L-arginine, inducible nitric oxide synthase, and meat are present. We evaluate the effect of L-arginine concentration (0.0%/0.1%/0.2%), temperature (20/37 °C), and incubation time (1 h/2 h) on meat color. Nitrite, L-arginine, and citrulline concentrations are analyzed, as well as the UV-Vis and Raman spectra of meat extracts and meat, respectively. The results indicate that there is very weak evidence that at a pH level closer to the enzyme’s optimum, slightly higher concentrations of nitrite can be found. The decrease in L-arginine concentration after incubation of an enzyme with meat in water suggests enzyme activity. The UV-Vis and Raman spectra do not support the generation of nitroso myoglobin. Meat color analysis showed lower a* coordinate values in samples incubated with nitric oxide synthase compared to their analogs without the enzyme. The results indicate that in given conditions, nitric oxide synthase cannot be used as a nitrite replacer. Full article

(This article belongs to the Section Food Chemistry)

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20 pages, 20966 KiB

Open AccessArticle

Electrospun Fibers from Biobased and Recycled Materials for Indoor Air Quality Enhancement

by Natalia Czerwinska, Chiara Giosuè, Nicola Generosi, Mattia Pierpaoli, Rida Jbr, Francesca Luzi, Valeria Corinaldesi and Maria Letizia Ruello

Molecules 2025, 30(6), 1214; https://doi.org/10.3390/molecules30061214 (registering DOI) - 8 Mar 2025

Abstract

Air filters are crucial components of building ventilation systems. Compared to conventional air filter media like glass fibers and melt-blown fibers, electrospinning membranes are more efficient for capturing various pollutants due to the smaller pores present on the structure. In this paper, activated [...] Read more.

Air filters are crucial components of building ventilation systems. Compared to conventional air filter media like glass fibers and melt-blown fibers, electrospinning membranes are more efficient for capturing various pollutants due to the smaller pores present on the structure. In this paper, activated carbon filters were prepared with eco-friendly polylactic acid (PLA) and microcrystalline cellulose (MCC) using electrospinning to obtain a high-quality factor (QF) fibrous mat for aerosol particle matter (PM) filtration and volatile organic compounds (VOCs) adsorption. Several configurations of the final membranes were investigated and tested for fiber morphology and air filtration performance. Filtering efficiency and adsorption properties were evaluated in a real-scale room by measuring the particle penetration of the newly synthesized and commercial filters against neutralized aerosol particles (3% NaCl aqueous solution) and VOCs (methyl ethyl ketone). The calculated depolluting efficiencies were up to 98% in terms of PM and 55% for VOCs abatement, respectively. Our results indicate that the proposed hybrid membranes represent promising materials for highly efficient and sustainable air filters for home application systems. Full article

(This article belongs to the Special Issue Novel Porous Materials for Environmental Applications)

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10 pages, 2480 KiB

Open AccessArticle

Solvatochromic Parameters of Four Amines in Propane-1,3-diol at 298.15 K

by Maria-Luísa C. J. Moita, Ângela F. S. Santos, Miguel A. B. S. S. Correia and Isabel M. S. Lampreia

Molecules 2025, 30(6), 1213; https://doi.org/10.3390/molecules30061213 (registering DOI) - 8 Mar 2025

Abstract

One of the most used methods for capturing acidic gases from the atmosphere is the use of amines that react with the acids and can later be recovered. The choice of amines that are most efficient in capturing has been the subject of [...] Read more.

One of the most used methods for capturing acidic gases from the atmosphere is the use of amines that react with the acids and can later be recovered. The choice of amines that are most efficient in capturing has been the subject of several studies; however, the energy effort for their regeneration is also important. While the polarity of the solvent plays a critical role in determining which amines efficiently capture CO₂, the heat capacity of the solvent is also a significant factor in the regeneration process. In this work, we present values for Reichardt’s

E_{T}^{N} (30)

and Kamlet−Taft parameters, such as π* (dipolarity/polarizability), α (acidity), and β (basicity), for solutions of two alkanolamines and two alkoxyamines dissolved in propane-1,3-diol, at 298.15 K, a solvent with a lower heat capacity than water. In addition to the polarity characterization of the amines in that solvent, the aim of this study is to analyze the differences observed in the solvatochromic parameters when water is replaced by alcohol. The impact of this change on the values of those parameters for the binary amine + solvent solutions was assessed by calculating the transfer values,

Δ_{transf} (F_{i}, x_{i})

. Defined as,

Δ_{transf} (F_{i}, x_{i}) = F_{i} (1, 3 PD) - F_{i} (H_{2} O)

, these transfer values represent the difference in the parameters when the amines are transferred from water to alcohol. While the water medium is more favourable in terms of π* for CO₂ capture, the alcohol medium appears to hold more promise in terms of β. Full article

(This article belongs to the Section Physical Chemistry)

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28 pages, 4677 KiB

Open AccessReview

Silica Aerogels as a Promising Vehicle for Effective Water Splitting for Hydrogen Production

by Apurva Vadanagekar, Lubomir Lapcik, Libor Kvitek and Barbora Lapcikova

Molecules 2025, 30(6), 1212; https://doi.org/10.3390/molecules30061212 (registering DOI) - 8 Mar 2025

Abstract

This comprehensive review explores silica aerogels and their application in environmental remediation. Due to rapid growth in the consumption of energy and water resources, the purification of contaminated resources for use by humankind should be considered important. The primary objectives of this review [...] Read more.

This comprehensive review explores silica aerogels and their application in environmental remediation. Due to rapid growth in the consumption of energy and water resources, the purification of contaminated resources for use by humankind should be considered important. The primary objectives of this review are to assess the evolving landscape of silica aerogels, their preparation, and drying techniques, and to discuss the main findings from a wide range of empirical studies and theoretical perspectives. Based on a significant amount of research, this review provides information about aerogels’ capabilities as an adsorbent and catalyst. The analysis spans a variety of contexts for the generation of hydrogen and the degradation of the dyes employed in industry, showing better performance in environmental remediation. The implications of this review point to the need for well-informed policies, innovative synthesis strategies, and ongoing research to harness the full potential for environmental management. Full article

(This article belongs to the Section Physical Chemistry)

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28 pages, 2467 KiB

Open AccessReview

Emerging Ferroptosis Involvement in Amyotrophic Lateral Sclerosis Pathogenesis: Neuroprotective Activity of Polyphenols

by Annamaria Russo, Stefano Putaggio, Ester Tellone, Antonella Calderaro, Santa Cirmi, Giuseppina Laganà, Silvana Ficarra, Davide Barreca and Giuseppe Tancredi Patanè

Molecules 2025, 30(6), 1211; https://doi.org/10.3390/molecules30061211 (registering DOI) - 8 Mar 2025

Abstract

Neurodegenerative diseases are a group of diseases that share common features, such as the generation of misfolded protein deposits and increased oxidative stress. Among them, amyotrophic lateral sclerosis (ALS), whose pathogenesis is still not entirely clear, is a complex neurodegenerative disease linked both [...] Read more.

Neurodegenerative diseases are a group of diseases that share common features, such as the generation of misfolded protein deposits and increased oxidative stress. Among them, amyotrophic lateral sclerosis (ALS), whose pathogenesis is still not entirely clear, is a complex neurodegenerative disease linked both to gene mutations affecting different proteins, such as superoxide dismutase 1, Tar DNA binding protein 43, Chromosome 9 open frame 72, and Fused in Sarcoma, and to altered iron homeostasis, mitochondrial dysfunction, oxidative stress, and impaired glutamate metabolism. The purpose of this review is to highlight the molecular targets common to ALS and ferroptosis. Indeed, many pathways implicated in the disease are hallmarks of ferroptosis, a recently discovered type of iron-dependent programmed cell death characterized by increased reactive oxygen species (ROS) and lipid peroxidation. Iron accumulation results in mitochondrial dysfunction and increased levels of ROS, lipid peroxidation, and ferroptosis triggers; in addition, the inhibition of the Xc⁻ system results in reduced cystine levels and glutamate accumulation, leading to excitotoxicity and the inhibition of GPx4 synthesis. These results highlight the potential involvement of ferroptosis in ALS, providing new molecular and biochemical targets that could be exploited in the treatment of the disease using polyphenols. Full article

(This article belongs to the Special Issue Bioactive Compounds for Brain Ischemia and Neurodegenerative Disease—Second Edition)

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30 pages, 818 KiB

Open AccessReview

Excipients for Cerium Dioxide Nanoparticle Stabilization in the Perspective of Biomedical Applications

by Svetlana A. Titova, Maria P. Kruglova, Victor A. Stupin, Natalia E. Manturova, Raghu Ram Achar, Gouri Deshpande, Vladimir A. Parfenov and Ekaterina V. Silina

Molecules 2025, 30(6), 1210; https://doi.org/10.3390/molecules30061210 (registering DOI) - 8 Mar 2025

Abstract

Rare earth metal nanoparticles, some of which are already widely used in medicine, are of growing interest in the modern scientific community. One of the promising rare earth metals for biomedical applications is cerium, specifically its oxide form, which is characterized by a [...] Read more.

Rare earth metal nanoparticles, some of which are already widely used in medicine, are of growing interest in the modern scientific community. One of the promising rare earth metals for biomedical applications is cerium, specifically its oxide form, which is characterized by a higher level of stability and safety. According to a number of studies, cerium dioxide has a wide range of biological effects (regenerative, antimicrobial, antioxidant, antitumor), which justifies the interest of its potential application in medicine. However, these effects and their intensity vary significantly across a number of studies. Since cerium dioxide was used in these studies, it can be assumed that not only is the chemical formula important, but also the physicochemical parameters of the nanoparticles obtained, and consequently the methods of their synthesis and modification with the use of excipients. In this review, we considered the possibilities of using a number of excipients (polyacrylate, polyvinylpyrrolidone, dextran, hyaluronic acid, chitosan, polycarboxylic acids, lecithin, phosphatidylcholine) in the context of preserving the biological effects of cerium dioxide and its physicochemical properties, as well as the degree of study of these combinations from the point of view of the prospect of creating drugs based on it for biomedical applications. Full article

(This article belongs to the Special Issue Nanotechnology Landscape in Modern Medicine)

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19 pages, 2178 KiB

Open AccessArticle

Molecular Networking from Volatilome of Theobroma grandiflorum (Copoazu) at Different Stages of Maturation Analyzed by HS-SPME-GC-MS

by Mayrin Valencia, Mónica Pérez-Beltrán, Gerson-Dirceu López, Chiara Carazzone and Paula Galeano Garcia

Molecules 2025, 30(6), 1209; https://doi.org/10.3390/molecules30061209 (registering DOI) - 8 Mar 2025

Abstract

Theobroma grandiflorum (copoazu) is a plant native to South America, widely cultivated in countries within the Amazon region. Its unique phytochemical composition imparts distinctive organoleptic properties, making it an exotic fruit. In this study, headspace solid-phase microextraction (HS-SPME) combined with gas chromatography–mass spectrometry [...] Read more.

Theobroma grandiflorum (copoazu) is a plant native to South America, widely cultivated in countries within the Amazon region. Its unique phytochemical composition imparts distinctive organoleptic properties, making it an exotic fruit. In this study, headspace solid-phase microextraction (HS-SPME) combined with gas chromatography–mass spectrometry (GC-MS) was used to identify the volatile organic compounds (VOCs) produced by copoazu. The optimal conditions for sample pretreatment were first determined using a Design of Experiments (DoE) approach. Analysis of the volatile profiles enabled the identification of 96 copoazu VOCs across three ripening stages. Of these, 79 VOCs were classified into chemical compound families using spectral correlation analysis across various libraries and databases, as well as molecular network analysis. Additionally, a volatilomic analysis was conducted to examine the changes in VOCs throughout the ripening process. Molecular network analysis showed that the VOCs emitted by the fruit are linked to the interconversion of compounds, which can be observed through the study of the metabolic pathways. These findings provide a comprehensive analysis of the copoazu volatilome, providing valuable insights into the organoleptic characteristics of this Amazonian fruit. Esters and terpenes such as α-terpineol, trans-4-methoxythujane, linalool, 2-methylbutyl butanoate, 3-methylbut-2-enoic acid, 2-methylpentyl ester, and 2-methylpropyl hexanoate were identified as potential biomarkers associated with the copoazu ripening process. Full article

(This article belongs to the Section Analytical Chemistry)

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