Molecules

34 pages, 824 KB

Open AccessReview

The Role of Nutraceuticals in Age-Related Ocular Diseases

by Josè Starvaggi, Carla Di Chio, Fabiola De Luca, Santo Previti, Maria Zappalà and Roberta Ettari

Molecules 2025, 30(17), 3592; https://doi.org/10.3390/molecules30173592 - 2 Sep 2025

Abstract

Although conventional medicine has seen substantial progress in recent years, there is a growing interest in nutraceuticals, bioactive compounds derived from natural sources such as plants, fruits, and cereals, due to their potential therapeutic applications. These substances have garnered increasing attention for their [...] Read more.

Although conventional medicine has seen substantial progress in recent years, there is a growing interest in nutraceuticals, bioactive compounds derived from natural sources such as plants, fruits, and cereals, due to their potential therapeutic applications. These substances have garnered increasing attention for their capacity to support ocular health and to aid in the prevention and management of age-related eye disorders, including age-related macular degeneration (AMD), cataracts, and glaucoma. This review provides a comprehensive and detailed analysis of selected nutraceuticals related to ocular health and diseases. It aims to define their pharmacodynamic properties, to elucidate the molecular and cellular mechanisms underlying their effects and to critically evaluate the current evidence regarding their potential clinical applications. By integrating findings from both preclinical and clinical studies, this review seeks to offer insights into the role of these nutraceuticals in the prevention, management, and adjunctive treatment of various ocular disorders, thereby suggesting future research directions and clinical practice. Notable attention is given to their antioxidant, anti-inflammatory, and neuroprotective properties, which are believed to contribute to the preservation of visual function and the deceleration of disease progression. Elucidating the medicinal benefits of these compounds may open new pathways for complementary or alternative strategies in the prevention and treatment of ocular diseases. Full article

(This article belongs to the Special Issue Natural Compounds for Disease and Health, 3rd Edition)

26 pages, 13807 KB

Open AccessArticle

Chemical Characterization, Sensory Evaluation, and Biological Activity in Neuronal Cells of Essential Oils (Rose, Eucalyptus, Lemon, and Clove) Used for Olfactory Training

by Antonella Rosa, Franca Piras, Alessandra Piras, Silva Porcedda, Valeria Sogos and Carla Masala

Molecules 2025, 30(17), 3591; https://doi.org/10.3390/molecules30173591 - 2 Sep 2025

Abstract

Essential oils (EOs) are natural mixtures of volatile compounds characterized by beneficial pharmacological effects. The repeated inhalation of EOs in olfactory training (OT) has been demonstrated to improve the sense of smell in patients with olfactory deficits. We conducted a conjunct evaluation of [...] Read more.

Essential oils (EOs) are natural mixtures of volatile compounds characterized by beneficial pharmacological effects. The repeated inhalation of EOs in olfactory training (OT) has been demonstrated to improve the sense of smell in patients with olfactory deficits. We conducted a conjunct evaluation of the chemical composition, sensory profile, and bioactivity in cell models of commercial EOs of rose (EO1), eucalyptus (EO2), lemon (EO3), and clove (EO4) used for OT (StimuScent^®, Dos Medical, Sense Trading BV, Groningen, The Netherlands). Citronellol, 1,8-cineole, limonene, and eugenol emerged as the most abundant volatile compounds in EO1, EO2, EO3, and EO4, respectively, by GC-MS analysis. Some differences emerged (using a Likert-type scale) in the perception of EO’s odor dimensions (pleasantness, intensity, and familiarity in subjects with hyposmia (n = 8) compared to controls (n = 22). Cytotoxicity assays (24 h of incubation) demonstrated the anticancer effects of EOs (5–100 μg/mL) on SH-SY5Y neuroblastoma cells (the order of potency was EO3 > EO4 > EO2 > EO1), while all EOs showed lower effects on the viability/morphology of human skin HaCaT keratinocytes. SH-SY5Y cancer cells grown for six days with different EOs (at 50 μg/mL) showed evident signs of toxicity and apoptosis. Marked changes in cell morphology (structure/number of processes) were evidenced in clove EO-treated cells. EO’s sensory properties/bioactivity were also related to the in silico physicochemical/pharmacokinetic properties of the main EO components. Our results provide new insights into a more targeted EO application for OT. Full article

18 pages, 641 KB

Open AccessArticle

Solubility of Sulfamethazine in Acetonitrile–Ethanol Cosolvent Mixtures: Thermodynamic Analysis and Mathematical Modeling

by Diego Ivan Caviedes-Rubio, Cristian Buendía-Atencio, Rossember Edén Cardenas-Torres, Claudia Patricia Ortiz, Fleming Martinez and Daniel Ricardo Delgado

Molecules 2025, 30(17), 3590; https://doi.org/10.3390/molecules30173590 - 2 Sep 2025

Abstract

The low water solubility of sulfamethazine (SMT) limits its clinical efficacy, making it crucial to study techniques such as cosolvency to optimize pharmaceutical formulations. This study aimed to thermodynamically evaluate the solubility of SMT in {acetonitrile (MeCN) + ethanol (EtOH)} cosolvent mixtures over [...] Read more.

The low water solubility of sulfamethazine (SMT) limits its clinical efficacy, making it crucial to study techniques such as cosolvency to optimize pharmaceutical formulations. This study aimed to thermodynamically evaluate the solubility of SMT in {acetonitrile (MeCN) + ethanol (EtOH)} cosolvent mixtures over a temperature range of 278.15 to 318.15 K in order to understand the molecular interactions that govern this process. SMT solubility in the mixtures was measured using a flask-shaking method. The solid phases were analyzed using differential scanning calorimetry (DSC) to rule out polymorphisms. Using the Gibbs–van’t Hoff–Krug model, we calculated the apparent thermodynamic functions of the solution and mixture from the obtained data. The results showed that solubility increased almost linearly with MeCN fraction and temperature, indicating that MeCN is a more efficient solvent and that the process is endothermic. Thermodynamic analysis revealed that dissolution is an endothermic process with favorable entropy for all compositions. The higher solubility in MeCN is attributed to the lower energetic cost required to form the solute cavity compared to the high energy needed to disrupt the hydrogen bond network of ethanol. This behavior can be explained by an enthalpy–entropy compensation phenomenon. This phenomenon provides an essential physicochemical basis for designing pharmaceutical processes. Full article

(This article belongs to the Special Issue Recent Advances in Chemical Thermodynamics from Theory to Experiment)

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21 pages, 2129 KB

Open AccessArticle

Comparative Study on Antioxidant Potential of Schinus terebinthifolius Extracts Prepared by Conventional Extraction, Accelerated Solvent Extraction, and Pulsed Electric Field Method

by Tanakarn Chaithep, Anurak Muangsanguan, Juan M. Castagnini, Francisco J. Marti-Quijal, Korawan Sringarm, Chaiwat Arjin, Pornchai Rachtanapun, Francisco J. Barba and Warintorn Ruksiriwanich

Molecules 2025, 30(17), 3589; https://doi.org/10.3390/molecules30173589 (registering DOI) - 2 Sep 2025

Abstract

Oxidative stress is a major contributor to skin aging and related disorders. This study comparatively evaluated the bioefficacy of Schinus terebinthifolius Raddi leaf extracts prepared using three extraction techniques: conventional extraction (CE), accelerated solvent extraction (ASE), and pulsed electric field (PEF) extraction, with [...] Read more.

Oxidative stress is a major contributor to skin aging and related disorders. This study comparatively evaluated the bioefficacy of Schinus terebinthifolius Raddi leaf extracts prepared using three extraction techniques: conventional extraction (CE), accelerated solvent extraction (ASE), and pulsed electric field (PEF) extraction, with 50% (v/v) ethanol and water as green solvents. Among all tested conditions, the CE-derived extract (C-4), obtained with 50% (v/v) ethanol for 120 min, exhibited the highest extraction yield (29.7%). It also showed the highest total phenolic (668.56 ± 11.52 mg gallic acid equivalent (GAE)/g dry material (DM)) and flavonoid content (2629.92 ± 112.61 mg quercetin equivalent (QE)/100 g DM), and potent antioxidant activity against 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) radical (12,645.50 ± 60.31 µmol Trolox equivalent (TE)/g DM) and oxygen radical absorbance capacity assay (ORAC: 7180.27 ± 101.79 µM TE/100 g DM). Liquid Chromatography coupled with Mass Spectrometry (LC-MS) analysis revealed a diverse phytochemical profile rich in polyphenols, including gallic acid, p-coumaric acid, rutin, rosmarinic acid, caffeic acid, and epicatechin. Cellular assays in hydrogen peroxide (H₂O₂)-induced HaCaT keratinocytes demonstrated that C-4 extract significantly enhanced cell viability and upregulated endogenous antioxidant genes (superoxide dismutase (SOD1), catalase (CAT), glutathione peroxidase (GPX)), with effects comparable to established antioxidants such as epigallocatechin gallate (EGCG) and ascorbic acid. These findings highlight the influence of extraction parameters on phytochemical yield and biological activity, supporting the potential application of CE-derived S. terebinthifolius extracts as effective, sustainable ingredients for cosmeceutical formulations targeting oxidative stress-mediated skin aging. Full article

(This article belongs to the Special Issue Bioactive Compounds and Antioxidant Activity of Extracts from Natural Plants, 2nd Edition)

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23 pages, 2178 KB

Open AccessArticle

Synergistic DES–Microwave Fractionation of Agri-Food Biomasses in a Zero-Waste Perspective

by Luca Carlomaria Pariani, Franca Castiglione, Gianmarco Griffini, Letizia Anna Maria Rossato, Eleonora Ruffini, Alberto Strini, Davide Tessaro, Stefano Turri, Stefano Serra and Paola D’Arrigo

Molecules 2025, 30(17), 3588; https://doi.org/10.3390/molecules30173588 - 2 Sep 2025

Abstract

The growing demand for sustainable biorefinery approaches calls for efficient, environmentally benign strategies to valorize agricultural residues and ensure their complete utilization. This study explores the combination of deep eutectic solvents (DESs) and microwave heating technology as a greener process for the selective [...] Read more.

The growing demand for sustainable biorefinery approaches calls for efficient, environmentally benign strategies to valorize agricultural residues and ensure their complete utilization. This study explores the combination of deep eutectic solvents (DESs) and microwave heating technology as a greener process for the selective fractionation of agri-food waste residues in a zero-waste perspective. Within this framework, five representative biomasses were thoroughly investigated, namely brewer’s spent grain, raw and parboiled rice husks, rapeseed cakes, and hemp hurds. DES formulation was selected for its ability to solubilize and separate lignocellulosic components, enabling the recovery of a polysaccharide-rich fraction, lignin, and bioactive compounds. DES extraction was performed using both microwave heating and conventional batch heating, enabling a direct comparison of the two methods, the optimization of a more sustainable fractionation process, and the maximization of yields while preserving the functional integrity of the recovered fractions. A comprehensive characterization of the separated fractions was carried out, revealing that the two fractionation methods do not yield significant differences in the composition of the primary components. Moreover, a ¹³C CP-MAS NMR analysis of the recovered lignins demonstrates how this analytical technique is a real fingerprint for the biomass source. The results demonstrate the great potential of microwave DES-mediated fractionation as a mild, tunable, and sustainable alternative to conventional methods, aligning with green chemistry principles and opening new approaches for the full valorization of waste byproducts Full article

(This article belongs to the Special Issue Deep Eutectic Solvents for the Extraction of Bioactive Compounds from Natural Sources)

27 pages, 4454 KB

Open AccessArticle

Thermal Decomposition and Prebiotic Formation of Adenosine Phosphates in Simulated Early-Earth Evaporative Settings

by Maheen Gull, Christopher Mehta, Maria Jesus Herrero Perez, Annika Seeley, Karyn L. Rogers and Matthew A. Pasek

Molecules 2025, 30(17), 3587; https://doi.org/10.3390/molecules30173587 - 2 Sep 2025

Abstract

Adenosine nucleotides and polyphosphates play a significant role in biochemistry, from participating in the formation of genetic material to serving as metabolic energy currency. In this study, we examine the stability and decomposition rates of adenosine phosphates—5′-AMP, 5′-ADP, and 5′-ATP (mentioned simply as [...] Read more.

Adenosine nucleotides and polyphosphates play a significant role in biochemistry, from participating in the formation of genetic material to serving as metabolic energy currency. In this study, we examine the stability and decomposition rates of adenosine phosphates—5′-AMP, 5′-ADP, and 5′-ATP (mentioned simply as AMP, ADP and ATP hereafter)—at temperatures of 22–25 °C, 50–55 °C, 70–75 °C, and 85–90 °C, at a pH of 4, over periods of 2 and 4 days, in both saltwater and ultrapure water, under unsealed and completely dried down conditions. We found that adenosine phosphates degrade rapidly under heat and dehydration, particularly at temperatures above 25 °C. Among the three compounds, AMP is the most stable, maintaining its integrity between 22 and 55 °C, whereas ATP begins to degrade at 22–25 °C and ADP is completely decomposed at temperatures above this range. Decomposition rates were analyzed using quantitative ³¹P-NMR, based on the detection of various phosphorus-containing species. AMP primarily hydrolyzed into phosphate, pyrophosphate and even formed 2′,3′-cAMP. In contrast, the condensed adenosine phosphates (ADP and ATP) hydrolyzed to AMP, phosphate, pyrophosphate, triphosphate, 5′-AMP and, in some cases, 2′,3′-cyclic adenosine monophosphate (2′,3′-cAMP). We also investigated the formation of these compounds in the presence of N-containing additives such as thiourea, urea, imidazole, and cyanamide at temperatures between 65 and 70 °C. Among these, cyanamide and urea were particularly effective in promoting the synthesis of adenosine monophosphates (AMPs) from phosphate and adenosine. The major products observed were 2′,3′,5′-AMPs and cyclic 2′,3′-AMPs. In some experiments, adenosine diphosphate (ADP) and dimeric nucleotide species were also detected. These findings suggest that moderately heated evaporating pools could facilitate the abiotic formation of AMPs. However, such environments would likely have been unsuitable for the long-term accumulation of these compounds due to continued degradation, though there would exist some level of these nucleotides at steady state. Full article

(This article belongs to the Special Issue The Preparations and Applications of Organophosphorus Compounds)

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21 pages, 5144 KB

Open AccessReview

Strategies for Regulating Reactive Oxygen Species in Carbon Nitride-Based Photocatalysis

by Qingyun Liu, Xiaoqiang Li, Yuxiao Chen, Xinhuan Zhang, Bailin Gao, Manqiu Ma, Hui Yang, Saisai Yuan and Qitao Zhang

Molecules 2025, 30(17), 3586; https://doi.org/10.3390/molecules30173586 - 2 Sep 2025

Abstract

Reactive oxygen species (ROS) are increasingly recognized as decisive actors in photocatalytic redox chemistry, dictating both the selectivity and efficiency of target reactions, while most photocatalytic systems generate a mixture of ROS under illumination. Recent studies have revealed that tailoring the generation of [...] Read more.

Reactive oxygen species (ROS) are increasingly recognized as decisive actors in photocatalytic redox chemistry, dictating both the selectivity and efficiency of target reactions, while most photocatalytic systems generate a mixture of ROS under illumination. Recent studies have revealed that tailoring the generation of specific ROS, rather than maximizing the overall ROS yield, holds the key to unlocking high-performance and application-specific catalysis. In this context, the selective production of specific ROS has emerged as a critical requirement for achieving target-oriented and sustainable photocatalytic transformations. Among the various photocatalytic materials, polymeric carbon nitride (PCN) has garnered considerable attention due to its metal-free composition, visible-light response, tunable structure, and chemical robustness. More importantly, the tunable band structure, surface chemistry, and interfacial environment of PCN collectively make it an excellent scaffold for the controlled generation of specific ROS. In recent years, numerous strategies including molecular doping, defect engineering, heterojunction construction, and co-catalyst integration have been developed to precisely tailor the ROS profile derived from PCN-based systems. This review provides a comprehensive overview of ROS regulation in PCN-based photocatalysis, with a focus on type-specific strategies. By classifying the discussion according to the major ROS types, we highlight the mechanisms of their formation and the design principles that govern their selective generation. In addition, we discuss representative applications in which particular ROS play dominant roles and emphasize the potential of PCN systems in achieving tunable and efficient photocatalytic performance. Finally, we outline key challenges and future directions for developing next-generation ROS-regulated PCN photocatalysts, particularly in the context of reaction selectivity, dynamic behavior, and practical implementation. Full article

(This article belongs to the Section Applied Chemistry)

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19 pages, 1749 KB

Open AccessArticle

A Pre-Formulation Study for Delivering Nucleic Acids as a Possible Gene Therapy Approach for Spinocerebellar Ataxia Disorders

by Francesca Ferrara, Alfredo Sepe, Maddalena Sguizzato, Peggy Marconi and Rita Cortesi

Molecules 2025, 30(17), 3585; https://doi.org/10.3390/molecules30173585 - 2 Sep 2025

Abstract

Liposomes are lipid bilayer vesicles that are highly biocompatible, able to interact with the cell membrane, and able to release their cargo easily. The improvement of the physicochemical properties of liposomes, such as surface charge, lipid composition, and functionalization, makes these vesicles eligible [...] Read more.

Liposomes are lipid bilayer vesicles that are highly biocompatible, able to interact with the cell membrane, and able to release their cargo easily. The improvement of the physicochemical properties of liposomes, such as surface charge, lipid composition, and functionalization, makes these vesicles eligible delivery nanosystems for the gene therapy of many pathological conditions. In the present study, pre-formulation analysis was conducted to develop liposomes that facilitate the delivery of nucleic acids to neuronal cells, with the aim of future delivery of a CRISPR/Cas9 system designed to silence genes responsible for autosomal dominant neurodegenerative disorders. To this aim, different nucleic acid cargo models, including λ phage DNA, plasmid DNA, and mRNA encoding GFP, were considered. Liposomes with varying lipid compositions were produced using the ethanol injection method and analyzed for their dimensional stability and ability to interact with DNA. The selected formulations were tested in vitro using a neuroblastoma cell line (SH-SY5Y) to evaluate their potential toxicity and the ability to transfect cells with a DNA encoding the green fluorescent protein (pCMV-GFP). Among all formulations, the one containing phosphatidylcholine, phosphatidylethanolamine, pegylated 1,2-distearoyl-sn-glycero-3-phosphethanolamine, cholesterol, and dioctadecyl-dimethyl ammonium chloride (in the molar ratio 1:2:4:2:2) demonstrated the highest efficiency in mRNA delivery. Although this study was designed with the goal of ultimately enabling the delivery of a CRISPR/Cas9 system for treating autosomal dominant neurodegenerative disorders such as polyglutamine spinocerebellar ataxias (SCAs), CRISPR/Cas9 components were not delivered in the present work, and their application remains the objective of future investigations. Full article

(This article belongs to the Special Issue Advanced Nanotherapeutics: Design, Synthesis and Applications—2nd Edition)

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16 pages, 853 KB

Open AccessArticle

Discovery of Novel Benzamide-Based Sigma-1 Receptor Agonists with Enhanced Selectivity and Safety

by Pascal Carato, Bénédicte Oxombre, Séverine Ravez, Rajaa Boulahjar, Marion Donnier-Maréchal, Amélie Barczyk, Maxime Liberelle, Patrick Vermersch and Patricia Melnyk

Molecules 2025, 30(17), 3584; https://doi.org/10.3390/molecules30173584 - 2 Sep 2025

Abstract

Central nervous system (CNS) disorders such as neurodegenerative diseases, multiple sclerosis, or even brain ischemia represent major therapeutic challenges with limited effective treatments. The sigma-1 receptor (S1R), a unique ligand-operated molecular chaperone enriched at mitochondria-associated membranes, has emerged as a promising drug target [...] Read more.

Central nervous system (CNS) disorders such as neurodegenerative diseases, multiple sclerosis, or even brain ischemia represent major therapeutic challenges with limited effective treatments. The sigma-1 receptor (S1R), a unique ligand-operated molecular chaperone enriched at mitochondria-associated membranes, has emerged as a promising drug target due to its role in neuroprotection and neuroinflammation. Building upon our previously identified S1R ligand (compound 1), we designed and synthesized six novel benzamide derivatives through pharmacomodulation to optimize affinity, selectivity, and safety profiles. Among these, compound 2 demonstrated superior S1R affinity, improved selectivity over the sigma-2 receptor (S2R), and favorable ADME properties, including enhanced permeability and markedly reduced in vitro cardiac toxicity compared to the lead compound. Functional assays confirmed the agonist activity of key derivatives, while safety evaluations revealed low cytotoxicity and minimal off-target receptor interactions. Collectively, these findings support compound 2 as a promising candidate for further preclinical development in S1R-related CNS disorders. Full article

(This article belongs to the Special Issue Bioactive Compounds for Brain Ischemia and Neurodegenerative Disease—3rd Edition)

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17 pages, 1380 KB

Open AccessArticle

Unlocking New Potential in the Functionalization of Chlorinated Silsesquioxanes: A Rapid and Chemoselective Thiolation Method

by Niyaz Yagafarov, Yujia Liu, Naoto Adachi, Nobuhiro Takeda, Masafumi Unno and Armelle Ouali

Molecules 2025, 30(17), 3583; https://doi.org/10.3390/molecules30173583 - 2 Sep 2025

Abstract

A highly efficient method was successfully applied for the first time to the functionalization of well-defined chlorinated silsesquioxanes with a range of thiols. Thiolation was rapid (2 to 4 h), quantitative, with complete conversion of the reactants and full chemoselectivity, and proceeded under [...] Read more.

A highly efficient method was successfully applied for the first time to the functionalization of well-defined chlorinated silsesquioxanes with a range of thiols. Thiolation was rapid (2 to 4 h), quantitative, with complete conversion of the reactants and full chemoselectivity, and proceeded under mild conditions (room temperature). This “click chemistry” approach facilitated the preparation of nine novel compounds, with good to excellent isolated yields (64–92%). The structures and purities of these compounds were comprehensively confirmed using multiple analytical techniques, including ¹H, ¹³C, and ²⁹Si NMR spectroscopy, elemental analysis, and mass spectrometry. Thermogravimetric analysis (TGA) further demonstrated that the synthesized compounds exhibited excellent thermal stability. These characteristics suggest their potential for applications in various domains of science, technology, and medicine. Full article

(This article belongs to the Section Organic Chemistry)

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18 pages, 841 KB

Open AccessReview

Naturally Occurring PCSK9 Inhibitors: An Updated Review

by Jungmoo Huh and Hyunwoo Kim

Molecules 2025, 30(17), 3582; https://doi.org/10.3390/molecules30173582 - 2 Sep 2025

Abstract

Proprotein convertase subtilisin/kexin type 9 (PCSK9) is a key modulator of low-density lipoprotein cholesterol (LDL-C) levels and emerged as an attractive therapeutic target for the treatment of hypercholesterolemia and cardiovascular diseases. Although statins and ezetimibe have been widely used to manage these disorders, [...] Read more.

Proprotein convertase subtilisin/kexin type 9 (PCSK9) is a key modulator of low-density lipoprotein cholesterol (LDL-C) levels and emerged as an attractive therapeutic target for the treatment of hypercholesterolemia and cardiovascular diseases. Although statins and ezetimibe have been widely used to manage these disorders, concerns regarding side effects and high costs have driven ongoing efforts to search for alternative therapeutic candidates. To date, several classes of PCSK9 inhibitors, including monoclonal antibodies, oligonucleotides, proteins, and peptides, have been approved or are under clinical trials. In this review, we summarize 57 newly identified compounds derived from natural products showing inhibitory effects against PCSK9 reported between 2020 and April 2025. These compounds were isolated from 18 plants species and belong to various structural classes, including isoprenoids, flavonoids, alkaloids, and phenolic derivatives. Full article

(This article belongs to the Special Issue Small-Molecule Modulators Targeting Emerging Therapeutic Pathways: Design, Synthesis and Biological Evaluation)

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21 pages, 1825 KB

Open AccessArticle

Seasonal Variation in Essential Oil Composition and Bioactivity of Three Ocimum Species from Nepal

by Prem Narayan Paudel, Prabodh Satyal, William N. Setzer, Suresh Awale, Shiro Watanabe, Juthamart Maneenet, Rakesh Satyal, Ajaya Acharya, Anjila Shrestha and Rajendra Gyawali

Molecules 2025, 30(17), 3581; https://doi.org/10.3390/molecules30173581 - 1 Sep 2025

Abstract

The plants from the Ocimum genus, belonging to the Labiatae family, serve as important bioresources of essential oils (EOs) rich in biologically active secondary metabolites, widely used in medicine, food, and cosmetics. This study explored the volatile composition, enantiomeric distribution, and in vitro [...] Read more.

The plants from the Ocimum genus, belonging to the Labiatae family, serve as important bioresources of essential oils (EOs) rich in biologically active secondary metabolites, widely used in medicine, food, and cosmetics. This study explored the volatile composition, enantiomeric distribution, and in vitro biological activities of EOs from three Ocimum species native to Nepal: O. tenuiflorum L., O. basilicum L., and O. americanum L. EOs were extracted via hydro-distillation and analyzed using gas chromatography–mass spectrometry (GC-MS) for chemical profiling and chiral GC-MS for enantiomeric composition. Hierarchical cluster analysis was performed for major chemotypes. Antioxidant activity was assessed using DPPH and ABTS assays. Antimicrobial efficacy was evaluated using the microbroth dilution method, and cytotoxicity was tested on NIH-3T3 (normal) and MCF-7 (breast cancer) cell lines via the Cell Counting Kit-8 assay. EO yield was highest in O. tenuiflorum (1.67 ± 0.13%) during autumn and lowest in O. americanum (0.35 ± 0.02%) during winter among all Ocimum spp. The major compounds identified in O. tenuiflorum were eugenol (32.15–34.95%), trans-β-elemene (29.08–32.85%), and β–caryophyllene (19.85–21.64%). In O. americanum, the major constituents included camphor (51.33–65.88%), linalool (9.72–9.91%), germacrene D (7.75–1.83%), and β–caryophyllene (6.35–3.97%). For O. basicilum, EO was mainly composed of methyl chavicol (62.16–64.42%) and linalool (26.92–27.05%). The oxygenated monoterpenes were a dominant class of terpenes in the EOs except for O. tenuiflorum (sesquiterpene hydrocarbon). A hierarchical cluster analysis based on the compositions of EOs revealed at least three different chemotypes in Ocimum species. Chiral GC-MS analysis revealed β-caryophyllene and germacrene D as enantiomerically pure, with linalool consistently dominant in its levorotatory form. O. tenuiflorum exhibited the strongest antimicrobial activity, particularly against Candida albicans, and showed notable anticancer activity against MCF-7 cells (IC₅₀ = 23.43 µg/mL), with lower toxicity to normal cells. It also demonstrated the highest antioxidant activity (DPPH IC₅₀ = 69.23 ± 0.10 µg/mL; ABTS IC₅₀ = 9.05 ± 0.24 µg/mL). The EOs from Ocimum species possess significant antioxidant, antimicrobial, and cytotoxic properties, especially O. tenuiflorum. These findings support their potential application as natural agents in medicine, food, and cosmetics, warranting further validation. Full article

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22 pages, 3124 KB

Open AccessArticle

Optimization of Ultrasound-Assisted Extraction Process for Silkworm (Antheraea pernyi) Pupae Protein and Its Impact on Functional and Structural Characteristics of Protein

by Yuanyuan Zeng, Hanyu Guo, Yingying Li, Yinghao Xu, Mengli Zhang, Cancan Luo, Yanan Zang and Ji Luo

Molecules 2025, 30(17), 3580; https://doi.org/10.3390/molecules30173580 - 1 Sep 2025

Abstract

In this study, the ultrasonic-assisted extraction of silkworm pupae protein (SPP) was optimized using response surface methodology. Subsequently, the effects of ultrasonic treatment on the structural and functional characteristics of SPP were systematically analyzed and verified through Pearson correlation analysis. The results showed [...] Read more.

In this study, the ultrasonic-assisted extraction of silkworm pupae protein (SPP) was optimized using response surface methodology. Subsequently, the effects of ultrasonic treatment on the structural and functional characteristics of SPP were systematically analyzed and verified through Pearson correlation analysis. The results showed that the optimal extraction parameters were an ultrasonic treatment time of 120 min, a power of 115 W, a temperature of 54 °C, pH of 10.5, and the average extraction yield was 68.087%. Compared to the control, ultrasonic treatment significantly improved the functional properties of SPP, including solubility (13.13 g/L), water holding capacity (0.18%), oil holding capacity (0.28%), foaming capacity (55.35%), foam stability (12.71%), emulsification activity (2.15 m²/g), emulsification stability (21.95%), gel water holding capacity (11.5%), gel hardness (1.02 N), and gel elasticity (0.49 mm). In addition, the adsorption ability of SPP for 2-octanone and aldehyde was enhanced after ultrasonic treatment. Furthermore, the absorption intensity and maximum wavelength of the SPP fluorescence spectrum extracted via ultrasonic treatment were enhanced, along with the increased surface hydrophobicity and more stable secondary structure which contributed to promoting the functional properties of SPP, proven by Pearson correlation analysis. This study provides a theoretical basis for the further utilization of SPP in the food industry. Full article

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18 pages, 3544 KB

Open AccessArticle

A New Route to Tune the Electrical Properties of Graphene Oxide: A Simultaneous, One-Step N-Doping and Reduction as a Tool for Its Structural Transformation

by Andjela Stefanović, Muhammad Yasir, Gerard Tobías-Rossell, Stefania Sandoval Rojano, Dušan Sredojević, Dejan Kepić, Duška Kleut, Warda Saeed, Miloš Milović, Danica Bajuk-Bogdanović and Svetlana Jovanović

Molecules 2025, 30(17), 3579; https://doi.org/10.3390/molecules30173579 - 1 Sep 2025

Abstract

The presence of secondary electromagnetic waves (EMWs) results in EMW pollution and a large need for EMW-shielding materials. Therefore, new, lightweight, flexible, chemically resistant, and durable EMW shielding materials are demanded, while graphene and its derivatives meet the above-mentioned requirements. Among graphene derivatives, [...] Read more.

The presence of secondary electromagnetic waves (EMWs) results in EMW pollution and a large need for EMW-shielding materials. Therefore, new, lightweight, flexible, chemically resistant, and durable EMW shielding materials are demanded, while graphene and its derivatives meet the above-mentioned requirements. Among graphene derivatives, N-doped graphene exhibits promising electrical properties for shielding applications, although achieving sufficient N-incorporation in the graphene sheets remains a challenge. Herein, we produced graphene oxide using the modified Hummers’ method (GO) and the electrochemical exfoliation of highly ordered pyrolytic graphite. These two GO samples were thermally treated at 500 °C and 800 °C under a pure NH₃ gas for 1 h. UV-Vis, infrared, and Raman spectroscopies and X-ray diffraction, elemental, and thermogravimetric analyses were used to investigate the structural properties of modified GO. One of the highest levels of N-doping of GO was measured (11.25 ± 0.08 at%). The modification under a NH₃ atmosphere leads to simultaneous N-doping and reduction of graphene, resulting in the formation of electrically conductive and EMW shielding materials. Density functional theory (DFT) revealed the effect of heteroatoms on the energy band gap of GO. The cluster corresponding to N-doped rGO had a reduced bandgap of 0.77 eV. Full article

(This article belongs to the Special Issue Graphene and Graphene-Related Materials for Energy and Environment: Synthesis and Application)

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23 pages, 1889 KB

Open AccessArticle

Low-Temperature Dyeing of Chemically Modified PET/Spandex Blends: A Sustainable Approach for Enhanced Dyeability and Color Fastness

by Md Morshedur Rahman, Nazrul Hsan, Ingi Hong, Shekh Md Mamun Kabir, Seunga Choi, Youngdae Kim, Soohyun Kim and Joonseok Koh

Molecules 2025, 30(17), 3578; https://doi.org/10.3390/molecules30173578 (registering DOI) - 1 Sep 2025

Abstract

Blends of polyethylene terephthalate (PET) with spandex are widely used in sportswear and outdoor apparel. However, dyeing PET/spandex fabrics remains challenging due to the high energy required at elevated dyeing temperatures and persistent problems with poor color fastness caused by dye staining on [...] Read more.

Blends of polyethylene terephthalate (PET) with spandex are widely used in sportswear and outdoor apparel. However, dyeing PET/spandex fabrics remains challenging due to the high energy required at elevated dyeing temperatures and persistent problems with poor color fastness caused by dye staining on the spandex component. In this study, we investigated the dyeing behavior of a chemically modified poly(ethylene terephthalate-co-polyethylene glycol) (PCP) blended with spandex and compared it with conventional PET/spandex blends. The PCP/spandex fabrics exhibited significantly improved dyeability, showing higher dyebath exhaustion and greater color strength than PET/spandex blends, particularly at sub-conventional dyeing temperatures. The optimal dyeing condition for PCP/spandex blends was identified as 110 °C for 60 min, which provided a balance between enhanced dye uptake and minimized spandex staining. Moreover, PCP/spandex fabrics demonstrated improved color fastness at lower dyeing temperatures (110–120 °C), primarily due to the reduced staining tendency of the spandex component when blended with PCP fibers. This reduction in spandex staining minimized dye migration during washing. Overall, these findings suggest that PCP/spandex blends offer a promising, energy-efficient alternative to conventional PET/spandex fabrics. They enable effective dyeing at lower temperatures while achieving improved color fastness, thereby addressing key challenges in the dyeing of elastic fiber blends. Full article

(This article belongs to the Special Issue Advances in Textile Coloration and Finishing for Sustainable and Smart Textiles)

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23 pages, 589 KB

Open AccessReview

Modern Methods for Detection of Fentanyl and Its Analogues: A Comprehensive Review of Technologies and Applications

by Ewelina Bojarska, Wojciech Zajaczkowski, Elwira Furtak, Maksymilian Stela, Leslaw Gorniak, Marcin Podogrocki and Michal Bijak

Molecules 2025, 30(17), 3577; https://doi.org/10.3390/molecules30173577 - 31 Aug 2025

Abstract

Fentanyl and its analogues represent a severe threat due to their extreme potency and increasing prevalence in illicit drug supplies. Even trace amounts (on the order of a couple of milligrams) can be lethal, contributing to a surge in opioid overdose deaths worldwide. [...] Read more.

Fentanyl and its analogues represent a severe threat due to their extreme potency and increasing prevalence in illicit drug supplies. Even trace amounts (on the order of a couple of milligrams) can be lethal, contributing to a surge in opioid overdose deaths worldwide. Beyond the public health crisis, fentanyl has emerged as a security concern, with the potential for deliberate use as a chemical agent in CBRN scenarios. This underscores the critical need for rapid and accurate detection methods that can be deployed by security forces and first responders. Modern technology offers a range of solutions—from portable mass spectrometers and spectroscopic devices to electrochemical sensors and immunoassay kits—that enable on-site identification of fentanyl and its analogues. This review provides a comprehensive overview of detection techniques, examining their capabilities and applications in law enforcement, border control, and CBRN incident response. We highlight how integration of advanced sensors with machine learning is enhancing detection accuracy in complex field environments. Challenges such as operational constraints and the ever-evolving variety of fentanyl analogues are discussed, and future directions are recommended to improve field-deployable detection tools for safety and security applications. Full article

(This article belongs to the Special Issue Review Papers in Analytical Chemistry, 2nd Edition)

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15 pages, 6600 KB

Open AccessArticle

Visible-Light-Controlled Thermal Energy Storage and Release: A Tetra-Ortho-Fluorinated Azobenzene-Doped Composite Phase Change Material

by Yating Zhang, Jing Qi, Jun Xia, Fei Zhai and Liqi Dong

Molecules 2025, 30(17), 3576; https://doi.org/10.3390/molecules30173576 - 31 Aug 2025

Abstract

Organic phase change materials (OPCMs) offer high energy density for thermal storage but suffer from crystallization kinetics dependent on ambient temperature, leading to uncontrolled heat release and limited storage lifetime. Although doping OPCMs with azobenzene (Azo) derivatives enables optically controlled energy storage and [...] Read more.

Organic phase change materials (OPCMs) offer high energy density for thermal storage but suffer from crystallization kinetics dependent on ambient temperature, leading to uncontrolled heat release and limited storage lifetime. Although doping OPCMs with azobenzene (Azo) derivatives enables optically controlled energy storage and release, existing systems require UV irradiation for E-to-Z isomerization. This UV dependency seriously hinders their development in practical solar applications. Herein, we develop a visible-light-responsive Azo@OPCM composite by doping tetra-ortho-fluorinated azobenzene into eicosane. Systematic characterization of composites with different dopant ratios via UV–visible spectroscopy and differential scanning calorimetry reveals that green-light irradiation drives E-to-Z isomerization, achieving 97–99% Z-isomer conversion. This photoisomerization could introduce supercooling through photo-responsive energy barriers generated by Z-isomer, allowing thermal energy storage at lower temperatures. Subsequent blue-light irradiation triggers Z-to-E reversion to eliminate supercooling and enable optically controlled heat release. Additionally, by regulating the molar ratios of dopant, the optimized composites achieved 280.76 J/g energy density at 20% molar doping ratio, which surpassed that of pure eicosane and the reported Azo-based photothermal energy storage system. This work establishes a complete visible-light-controlled energy harvesting–storage–release cycle with significant potential for near-room-temperature solar thermal storage applications. Full article

(This article belongs to the Special Issue Photochemistry in Asia)

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28 pages, 4065 KB

Open AccessArticle

Synthesis and Antimicrobial Evaluation of Chroman-4-One and Homoisoflavonoid Derivatives

by Carlos d. S. M. Bezerra Filho, José L. F. M. Galvão, Edeltrudes O. Lima, Yunierkis Perez-Castillo, Yendrek Velásquez-López and Damião P. de Sousa

Molecules 2025, 30(17), 3575; https://doi.org/10.3390/molecules30173575 - 31 Aug 2025

Abstract

The continuous increase in microbial resistance to therapeutic agents has become one of the greatest challenges to global health. In this context, the present study investigated the bioactivity of 25 chroman-4-one and homoisoflavonoid derivatives—17 of which are novel—against pathogenic microorganisms, including Staphylococcus epidermidis [...] Read more.

The continuous increase in microbial resistance to therapeutic agents has become one of the greatest challenges to global health. In this context, the present study investigated the bioactivity of 25 chroman-4-one and homoisoflavonoid derivatives—17 of which are novel—against pathogenic microorganisms, including Staphylococcus epidermidis, Pseudomonas aeruginosa, Salmonella enteritidis, Candida albicans, C. tropicalis, Nakaseomyces glabratus (formerly C. glabrata), Aspergillus flavus, and Penicillium citrinum. Antimicrobial assay was performed using the microdilution technique in 96-well microplates to determine the minimum inhibitory concentration (MIC). Thirteen compounds exhibited antimicrobial activity, with compounds 1, 2, and 21 demonstrating greater potency than the positive control, especially against Candida species. Molecular modeling suggested distinct mechanisms of action in Candida albicans: 1 potentially inhibits cysteine synthase, while 2 and 21 possibly target HOG1 kinase and FBA1, key proteins in fungal virulence and survival. Our findings indicated that the addition of alkyl or aryl carbon chains at the hydroxyl group at position 7 reduces antimicrobial activity, whereas the presence of methoxy substituents at the meta position of ring B in homoisoflavonoids enhances bioactivity. These findings highlight key structural features of these compound classes, which may aid in the development of new bioactive agents against pathogenic microorganisms. Full article

(This article belongs to the Special Issue Harnessing Nature’s Chemical Diversity: Innovations in Isolation, Identification, and Synthesis)

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14 pages, 3570 KB

Open AccessArticle

Synthesis and Properties of Ethylene Imine-Based Porous Polymer Nanocomposites with Metal Oxide Nanoparticles

by Naofumi Naga, Julia Janas, Tomoya Takenouchi and Tamaki Nakano

Molecules 2025, 30(17), 3574; https://doi.org/10.3390/molecules30173574 - 31 Aug 2025

Abstract

Ethylene imine-based porous polymer nanocomposites were prepared by ring-opening polymerization of 2,2-bishydroxymethylbutanol-tris [3-(1-aziridinyl)propionate] (3AZ), a tri-functional aziridine compound, in the presence of commercially available metal oxide nanoparticles, SiO₂ or ZrO₂, accompanied by polymerization-induced phase separation. The reactions with SiO₂ [...] Read more.

Ethylene imine-based porous polymer nanocomposites were prepared by ring-opening polymerization of 2,2-bishydroxymethylbutanol-tris [3-(1-aziridinyl)propionate] (3AZ), a tri-functional aziridine compound, in the presence of commercially available metal oxide nanoparticles, SiO₂ or ZrO₂, accompanied by polymerization-induced phase separation. The reactions with SiO₂ and ZrO₂ nanoparticles successfully yielded nanocomposite porous polymers as rigid materials. The nanocomposite porous polymers with SiO₂ and ZrO₂ nanoparticles showed characteristic surface morphologies composed of gathered particles with diameters less than 1 micrometer. These nanocomposites were effective in increasing Young’s moduli of the porous polymers due to an increase in their bulk densities. The presence of SiO₂ and ZrO₂ nanoparticles in the porous polymers efficiently retarded thermal decomposition. Full article

(This article belongs to the Special Issue Functional Porous Frameworks: Synthesis, Properties, and Applications)

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