Molecules

19 pages, 1150 KiB

Open AccessArticle

Assessment of Digestion and Absorption Properties of 1,3-Dipalmitoyl-2-oleoyl Glycerol-Rich Lipids Using an In Vitro Gastrointestinal Digestion and Caco-2 Cell-Mediated Coupled Model

by Hyeon-Jun Chang, A-Young Lee and Jeung-Hee Lee

Molecules 2024, 29(22), 5442; https://doi.org/10.3390/molecules29225442 (registering DOI) - 18 Nov 2024

Abstract

The digestion and absorption properties of 1,3-dipalmitoyl-2-oleoyl glycerol (POP)-rich lipids was evaluated using in vitro gastrointestinal digestion and a Caco-2 cell-mediated coupled model. Caco-2 cell viability and monolayer integrity were assessed by an MTT assay and transepithelial electrical resistance. The IC50 for bile [...] Read more.

The digestion and absorption properties of 1,3-dipalmitoyl-2-oleoyl glycerol (POP)-rich lipids was evaluated using in vitro gastrointestinal digestion and a Caco-2 cell-mediated coupled model. Caco-2 cell viability and monolayer integrity were assessed by an MTT assay and transepithelial electrical resistance. The IC50 for bile salts, pancreatin, and free fatty acid (FFA) were 0.22 mM, 0.22 mg/mL, and 1.47 mM, respectively, and no cytotoxicity was observed for bovine serum albumin (0.01–0.20 mM) or triacylglycerol (1.00–10.00 mM). The in vitro-digested POP-rich lipid containing FFA > 2.95 mM caused the disruption of monolayer tight junctions in Caco-2 cells. The major triacylglycerols (TAG) of POP-rich lipids were POP (50.8%), POO (17.8%), POL/OPL/PLO (7.6%), PPO (7.1%), and PLP (6.8%). Following digestion and uptake into Caco-2 cells, the resynthesized TAGs included PPO (20.6%), PPP (15.9%), POO (14.0%), POL/OPL/PLO (12.2%), POP (10.9%), OOO (7.5%), OPO (7.0%), OOL/OLO (6.7%), PLP (3.1%), and PPL (2.2%). The secreted major TAGs were POL/OPL/PLO (50.8%), PPP (11.1%), and OOL/OLO (8.4%), indicating a diverse TAG profile in newly synthesized lipids. This study provides a coupled model for lowering cytotoxicity and maintaining the monolayer in Caco-2 cells, and for evaluating the digestion and absorption properties of functional lipids containing specific fatty acids incorporated into TAG. Full article

14 pages, 2675 KiB

Open AccessArticle

Gold-Catalyzed Propargylic Substitution Followed by Cycloisomerization in Ionic Liquid: Environmentally Friendly Synthesis of Polysubstituted Furans from Propargylic Alcohols and 1,3-Dicarbonyl Compounds

by Hitomi Chiaki, Yoshimitsu Hashimoto and Nobuyoshi Morita

Molecules 2024, 29(22), 5441; https://doi.org/10.3390/molecules29225441 (registering DOI) - 18 Nov 2024

Abstract

Gold-catalyzed propargylic substitution of propargylic alcohols 1 with 1,3-dicarbonyl compounds 2 followed by cycloisomerization in ionic liquid enables the environmentally friendly synthesis of polysubstituted furans 3 in good-to-high yields. The reaction proceeds via the hydrated propargylic substitution product 3″aa. The gold catalyst [...] Read more.

Gold-catalyzed propargylic substitution of propargylic alcohols 1 with 1,3-dicarbonyl compounds 2 followed by cycloisomerization in ionic liquid enables the environmentally friendly synthesis of polysubstituted furans 3 in good-to-high yields. The reaction proceeds via the hydrated propargylic substitution product 3″aa. The gold catalyst can be recycled at least three times. Full article

(This article belongs to the Special Issue New Metal Catalysts for Sustainable Chemistry)

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37 pages, 2386 KiB

Open AccessReview

Cajaninstilbene Acid and Its Derivative as Multi-Therapeutic Agents: A Comprehensive Review

by Wen Hou, Lejun Huang, Jinyang Wang, Walter Luyten, Jia Lai, Zhinuo Zhou, Sishuang Kang, Ping Dai, Yanzhu Wang, Hao Huang and Jinxia Lan

Molecules 2024, 29(22), 5440; https://doi.org/10.3390/molecules29225440 (registering DOI) - 18 Nov 2024

Abstract

: Pigeon pea (Cajanus cajan (L.) Millsp.) is a traditional Chinese medicinal plant widely utilized in folk medicine due to its significant pharmacological and nutritional properties. Cajaninstilbene acid (CSA), a stilbene compound derived from pigeon pea leaves, has been extensively investigated [...] Read more.

: Pigeon pea (Cajanus cajan (L.) Millsp.) is a traditional Chinese medicinal plant widely utilized in folk medicine due to its significant pharmacological and nutritional properties. Cajaninstilbene acid (CSA), a stilbene compound derived from pigeon pea leaves, has been extensively investigated since the 1980s. A thorough understanding of CSA’s mechanisms of action and its therapeutic effects on various diseases is crucial for developing novel therapeutic approaches. This paper presents an overview of recent research advancements concerning the biological activities and mechanisms of CSA and its derivatives up to February 2024. The review encompasses discussions on the in vivo metabolism of CSA and its derivatives, including antipathogenic micro-organisms activity, anti-tumor activity, systematic and organ protection activity (such as bone protection, cardiovascular protection, neuroprotection), anti-inflammatory activity, antioxidant activity, immune regulation as well as action mechanism of CSA and its derivatives. The most studied activities are antipathogenic micro-organisms activities. Additionally, the structure–activity relationships of CSA and its derivatives as well as the total synthesis of CSA are explored, highlighting the potential for developing new pharmaceutical agents. This review aims to provide a foundation for future clinical applications of CSA and its derivatives. Full article

(This article belongs to the Special Issue Advances in Natural Products and Their Biological Activities)

17 pages, 1067 KiB

Open AccessArticle

Carbon Nanotube–Phenyl Modified g-C₃N₄: A Visible Light Driven Efficient Charge Transfer System for Photocatalytic Degradation of Rhodamine B

by Sahar Aghapour Ghourichay, Samira Agbolaghi, Riccardo Corpino and Pier Carlo Ricci

Molecules 2024, 29(22), 5439; https://doi.org/10.3390/molecules29225439 (registering DOI) - 18 Nov 2024

Abstract

In this study, we report the synthesis and characterization of a novel photocatalyst composite composed of functionalized carbon nanotubes (f-CNT) and phenyl-modified graphitic carbon nitride (PhCN). The incorporation of the phenyl group extends the absorption range into the visible spectrum compared to pure [...] Read more.

In this study, we report the synthesis and characterization of a novel photocatalyst composite composed of functionalized carbon nanotubes (f-CNT) and phenyl-modified graphitic carbon nitride (PhCN). The incorporation of the phenyl group extends the absorption range into the visible spectrum compared to pure g-C₃N₄. Additionally, the formation of the heterostructure in the f-CNT/PhCN composite exhibits improved charge transfer efficiency, facilitating the separation and transfer of photogenerated electron-hole pairs and reducing recombination rates. The photocatalytic performance of this composite was evaluated by the degradation of Rhodamine B (RhB) under visible light irradiation. The f-CNT/PhCN composite exhibits remarkable efficiency in degrading RhB, achieving 60% degradation after 4 h, and 100% after 24 h under low-power white LED excitation. This represents a substantial improvement over the non-functionalized CNT/PhCN composite, which shows much lower performance. In contrast, pure PhCN demonstrates very little activity. Structural and optical properties were characterized using X-ray diffraction (XRD), transmission electron microscopy (TEM), Raman spectroscopy, and UV–Vis spectroscopy. Time-resolved photoluminescence measurements were used to study the behavior of photoexcited carriers, confirming that the composite improves charge transfer efficiency for photogenerated carriers by approximately 30%. The results indicate that the functionalization of CNTs significantly enhances the photocatalytic properties of the composite, making f-CNT/PhCN a promising candidate for environmental remediation applications, particularly in the degradation of organic pollutants in wastewater. Full article

(This article belongs to the Section Physical Chemistry)

19 pages, 4468 KiB

Open AccessArticle

Synthesis of Novel Gefitinib-Conjugated 1,2,3-Triazole Derivatives and Their Effect of Inducing DNA Damage and Apoptosis in Tumor Cells

by Junfei Wu, Xu Huang, Shan Lu, Ziyi Wang, Longfei Mao and Sanqiang Li

Molecules 2024, 29(22), 5438; https://doi.org/10.3390/molecules29225438 (registering DOI) - 18 Nov 2024

Abstract

Compounds with rigid planar structures can insert into tumor cell DNA, thereby inducing DNA damage in tumor cells. In this study, quinazoline, a compound with a planar structure, was used as the core scaffold. A rigid planar 1,2,3-triazole moiety was introduced into its [...] Read more.

Compounds with rigid planar structures can insert into tumor cell DNA, thereby inducing DNA damage in tumor cells. In this study, quinazoline, a compound with a planar structure, was used as the core scaffold. A rigid planar 1,2,3-triazole moiety was introduced into its structure, and its activity was tested on HepG2 liver cancer cells. The results showed that most compounds exhibc± 0.37 μM and 3.60 ± 0.53 μM. We found that the designed compounds significantly upregulated the expression of γ-H2AX in tumor cells, inducing DNA damage while reducing PARP levels, thereby weakening the DNA damage repair capacity of tumor cells and leading to apoptosis. Additionally, these compounds inhibited the migration and invasion of HepG2 cells. One of the compounds was found to be low in toxicity in mice, suggesting its potential as a targeted DNA anti-tumor drug. Full article

(This article belongs to the Special Issue Anticancer Drug Discovery and Development II)

22 pages, 1483 KiB

Open AccessArticle

Valorisation of Winery By-Products: Revealing the Polyphenolic Profile of Grape Stems and Their Inhibitory Effects on Skin Aging-Enzymes for Cosmetic and Pharmaceutical Applications

by Rui Dias-Costa, Concepción Medrano-Padial, Raquel Fernandes, Raúl Domínguez-Perles, Irene Gouvinhas and Ana Novo Barros

Molecules 2024, 29(22), 5437; https://doi.org/10.3390/molecules29225437 (registering DOI) - 18 Nov 2024

Abstract

Grape (Vitis vinifera L.) stems, a by-product of winemaking, possess significant potential value due to their rich polyphenolic composition, which allows their exploitation for cosmetic and pharmaceutical applications. This presents a promising opportunity for valorisation aimed at developing innovative products with potential [...] Read more.

Grape (Vitis vinifera L.) stems, a by-product of winemaking, possess significant potential value due to their rich polyphenolic composition, which allows their exploitation for cosmetic and pharmaceutical applications. This presents a promising opportunity for valorisation aimed at developing innovative products with potential health-promoting effects. In this study, the polyphenolic profile of extracts from grape stems of seven white grape varieties was determined using spectrophotometric and chromatographic methods, specifically high-performance liquid chromatography coupled with a photodiode array detector and electrospray ionization multi-stage mass spectrometry (HPLC-PDA-ESI-MSn), as well as on their ferric-reducing antioxidant power (FRAP) and radical scavenging capacity, using 2,2-diphenyl-1-picrylhydrazyl (DPPH^●) and 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid (ABTS^●+) radicals. This study also evaluated the anti-aging activity and skin depigmenting activity of these extracts. These findings revealed a diverse polyphenolic profile, encompassing proanthocyanidins and catechin derivatives (PCDs), phenolic acids, and flavonols. Among the varieties studied, ‘Códega do Larinho’ exhibited the highest concentrations of six distinct polyphenols and the highest total phenolic content. It also demonstrated the highest results for antioxidant capacity and elastase and tyrosinase inhibition. Pearson’s correlation analysis showed a significant positive correlation between certain PCDs with both FRAP and DPPH assays, as well as between the identified flavonols and anti-elastase activity. These results underscore the potential health benefits of grape stem extracts and emphasize the importance of their polyphenolic composition in enhancing antioxidant and anti-aging properties, thus supporting their application in different industries. Full article

(This article belongs to the Section Natural Products Chemistry)

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39 pages, 2655 KiB

Open AccessReview

The Influence of Roughness on the Properties of Electroactive Polypyrrole

by Sylwia Golba and Julian Kubisztal

Molecules 2024, 29(22), 5436; https://doi.org/10.3390/molecules29225436 (registering DOI) - 18 Nov 2024

Abstract

This study describes the properties of electroactive polypyrrole and its applications, with a focus on the roughness of the material. This parameter is crucial as it influences the applicability of coated layers, leading to highly adherent coatings or programmed wettability. The first raised [...] Read more.

This study describes the properties of electroactive polypyrrole and its applications, with a focus on the roughness of the material. This parameter is crucial as it influences the applicability of coated layers, leading to highly adherent coatings or programmed wettability. The first raised aspect covers the electrodeposition procedure, which can help tailor the desired smoothness determined by roughness parameters. Features such as the deposition method, synthetic solution components, potential boundaries, substrate type, and utilized additives are evaluated. In the following section, the application aspects are discussed with a focus on modern, currently developed subjects such as medical applications, including cell-adherent coatings, antibacterial coatings, and drug delivery modules, as well as more technological fields like improved adhesion to the substrate and the improved mechanical properties of the deposited coating. Full article

15 pages, 5902 KiB

Open AccessArticle

In Situ Crosslinked Biodegradable Hydrogels Based on Poly(Ethylene Glycol) and Poly(ε-Lysine) for Medical Application

by Xia Ding, Bing Yang and Zhaosheng Hou

Molecules 2024, 29(22), 5435; https://doi.org/10.3390/molecules29225435 (registering DOI) - 18 Nov 2024

Abstract

Hydrogels have emerged as promising biomaterials due to their excellent performance; however, their biocompatibility, biodegradability, and absorbability still require improvement to support a broader range of medical applications. This paper presents a new biofunctionalized hydrogel based on in situ crosslinking between maleimide-terminated four-arm-poly(ethylene [...] Read more.

Hydrogels have emerged as promising biomaterials due to their excellent performance; however, their biocompatibility, biodegradability, and absorbability still require improvement to support a broader range of medical applications. This paper presents a new biofunctionalized hydrogel based on in situ crosslinking between maleimide-terminated four-arm-poly(ethylene glycol) (4–arm–PEG–Mal) and poly(ε-lysine) (ε–PL). The PEG/ε–PL hydrogels, named LG–n, were rapidly formed via amine/maleimide reaction by mixing 4–arm–PEG–Mal and ε–PL under physiological conditions. The corresponding dry gels (DLG–n) were obtained through a freeze-drying technique. ¹H NMR, FT–IR, and SEM were utilized to confirm the structures of 4–arm–PEG–Mal and LG–n (or DLG–n), and the effects of solid content on the physicochemical properties of the hydrogels were investigated. Although high solid content could increase the swelling ratio, all LG–n samples exhibited a low equilibrium swelling ratio of less than 30%. LG–7, which contained moderate solid content, exhibited optimal compression properties characterized by a compressive fracture strength of 45.2 kPa and a deformation of 69.5%. Compression cycle tests revealed that LG–n demonstrated good anti-fatigue performance. In vitro degradation studies confirmed the biodegradability of LG–n, with the degradation rate primarily governing the drug (ceftibuten) release efficiency, leading to a sustained release duration of four weeks. Cytotoxicity tests, cell survival morphology observation, live/dead assays, and hemolysis tests indicated that LG–n exhibited excellent cytocompatibility and low hemolysis rates (<5%). Furthermore, the broad-spectrum antibacterial activity of LG–n was verified by an inhibition zone method. In conclusion, the developed LG–n hydrogels hold promising applications in the medical field, particularly as drug sustained-release carriers and wound dressings. Full article

(This article belongs to the Special Issue Hydrogels: Preparation, Characterization, and Applications)

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22 pages, 1495 KiB

Open AccessArticle

Study of Endocrine-Disrupting Chemicals in Infant Formulas and Baby Bottles: Data from the European LIFE-MILCH PROJECT

by Francesca Nuti, Feliciana Real Fernández, Mirko Severi, Rita Traversi, Vassilios Fanos, Maria Elisabeth Street, Paola Palanza, Paolo Rovero and Anna Maria Papini

Molecules 2024, 29(22), 5434; https://doi.org/10.3390/molecules29225434 (registering DOI) - 18 Nov 2024

Abstract

Exposure to endocrine-disrupting chemicals (EDCs) is inevitable, and growing scientific evidence indicates that even very low doses can negatively impact human health, particularly during pregnancy and the neonatal period. As part of the European project LIFE18 ENV/IT/00460, this study aims to identify the [...] Read more.

Exposure to endocrine-disrupting chemicals (EDCs) is inevitable, and growing scientific evidence indicates that even very low doses can negatively impact human health, particularly during pregnancy and the neonatal period. As part of the European project LIFE18 ENV/IT/00460, this study aims to identify the presence of EDCs in 20 infant formulas (both powdered and liquid) and the release from baby bottles and teats. Particularly, sensitization of young people and future parents towards the potential harmful effects of EDCs could significantly help to reduce exposure. Seven different UPLC-MS/MS methodologies and one ICP-AES were set up to quantify already assessed and suspected EDCs among 85 different chemicals (bisphenols, parabens, PAHs, phthalates, pesticides, herbicides and their main metabolites, PFAS, and metals). Results showed that in 2 out of 14 baby bottles, only anthracene and phenanthrene of the group of PAHs were released (10.68–10.81 ng/mL). Phthalates such as mono-ethyl phthalate (MEP) were found in 9 of 14 samples (0.054–0.140 ng/mL), while mono(2-ethyl-5-oxohexyl) phthalate (MeOHP) appeared in 2 samples (0.870–0.930 ng/mL). In accordance with current EU regulations, other chemicals were not detected in baby bottles and teats. However, bisphenols, parabens, PAHs, phthalates, PFAS, and metals were detected in infant formula, emphasizing the need for continued monitoring and public health interventions. Full article

(This article belongs to the Special Issue Analytical Chemistry in Europe: Towards Sustainability and Quality of Life, 2nd Edition)

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11 pages, 2518 KiB

Open AccessArticle

First-Principles Study of 3R-MoS₂ for High-Capacity and Stable Aluminum Ion Batteries Cathode Material

by Bin Wang, Tao Deng, Quan Zhou, Chaoyang Zhang, Xingbao Lu and Renqian Tao

Molecules 2024, 29(22), 5433; https://doi.org/10.3390/molecules29225433 (registering DOI) - 18 Nov 2024

Abstract

Currently, exploring high-capacity, stable cathode materials remains a major challenge for rechargeable Aluminum-ion batteries (AIBs). As an intercalator for rechargeable AIBs, Al³⁺ produces three times the capacity of AlCl₄⁻ when the same number of anions is inserted. However, the cathode [...] Read more.

Currently, exploring high-capacity, stable cathode materials remains a major challenge for rechargeable Aluminum-ion batteries (AIBs). As an intercalator for rechargeable AIBs, Al³⁺ produces three times the capacity of AlCl₄⁻ when the same number of anions is inserted. However, the cathode material capable of producing Al³⁺ intercalation is not a graphite material with AlCl₄⁻ intercalation but a transition metal sulfide material with polar bonding. In this paper, the insertion mechanism of Al³⁺ in 3R-MoS₂ is investigated using first-principles calculations. It is found that Al³⁺ tends to insert into different interlayer positions at the same time rather than occupying one layer before inserting into another, which is different from the insertion mechanism of AlCl₄⁻ in graphite. Ab initio, molecular dynamics calculations revealed that Al³⁺ was able to stabilize the insertion of 3R-MoS₂. Diffusion barriers indicate that Al³⁺ preferentially migrates to nearby stabilization sites in diffusion pathway studies. According to the calculation, the theoretical maximum specific capacity of Al³⁺ intercalated 3R-MoS₂ reached 502.30 mAg h⁻¹, and the average voltage of the intercalation was in the range of 0.75–0.96 V. Therefore, 3R-MoS₂ is a very promising cathode material for AIBs. Full article

(This article belongs to the Special Issue Functional Nanomaterials for Energy and Environmental Sustainability)

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31 pages, 7065 KiB

Open AccessReview

NMR Relaxation to Probe Zeolites: Mobility of Adsorbed Molecules, Surface Acidity, Pore Size Distribution and Connectivity

by Marina G. Shelyapina

Molecules 2024, 29(22), 5432; https://doi.org/10.3390/molecules29225432 (registering DOI) - 18 Nov 2024

Abstract

Unique structural and chemical properties, such as ion exchange, developed inner surface, etc., as well as the wide possibilities and flexibility of regulating these properties, cause a keen interest in zeolites. They are widely used in industry as molecular sieves, ion exchangers and [...] Read more.

Unique structural and chemical properties, such as ion exchange, developed inner surface, etc., as well as the wide possibilities and flexibility of regulating these properties, cause a keen interest in zeolites. They are widely used in industry as molecular sieves, ion exchangers and catalysts. Current trends in the development of zeolite-based catalysts include the adaptation of their cationic composition, acidity and porosity for a specific catalytic process. Recent studies have shown that mesoporosity is beneficial to the rational design of catalysts with controlled product selectivity and an improved catalyst lifetime due to its efficient mass-transport properties. Nuclear magnetic resonance (NMR) has proven to be a reliable method for studying zeolites. Solid-state NMR spectroscopy allows for the quantification of both Lewis and Brønsted acidity in zeolite catalysts and, nowadays, ²⁷Al and ²⁹Si magic angle spinning NMR spectroscopy has become firmly established in the set of approved methods for characterizing zeolites. The use of probe molecules opens up the possibility for the indirect measurement of the characteristics of acid sites. NMR relaxation is less common, although it is especially informative and enlightening for studying the mobility of guest molecules in the porous matrix. Moreover, the NMR relaxation of guest molecules and NMR cryoporometry can quantify pore size distribution on a broader scale (compared to traditional methods), which is especially important for systems with complex pore organization. Over the last few years, there has been a growing interest in the use of 2D NMR relaxation techniques to probe porous catalysts, such as 2D

T_{1}

–

T_{2}

correlation to study the acidity of the surface of catalysts and 2D

T_{2}

–

T_{2}

exchange to study pore connectivity. This contribution provides a comprehensive review of various NMR relaxation techniques for studying porous media and recent results of their applications in probing micro- and mesoporous zeolites, mainly focused on the mobility of adsorbed molecules, the acidity of the zeolite surface and the pore size distribution and connectivity of zeolites with hierarchical porosity. Full article

(This article belongs to the Special Issue Two-Dimensional Materials: From Synthesis to Applications, 2nd Edition)

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15 pages, 5198 KiB

Open AccessArticle

Evaluation of Antiproliferative Potentials Associated with the Volatile Compounds of Lantana camara Flowers: Selective In Vitro Activity

by Jennifer El Hajj, Louna Karam, Ali Jaber, Edmond Cheble, Elias Akoury, Philippe Hussein Kobeissy, José-Noel Ibrahim and Ali Yassin

Molecules 2024, 29(22), 5431; https://doi.org/10.3390/molecules29225431 (registering DOI) - 18 Nov 2024

Abstract

Probing the chemical profiles and biological activities of medicinal plants is important for the discovery of new potent therapeutic products. Our study deciphers the chemical composition of the essential oils (EOs) obtained from three different flowers of Lantana camara and evaluates their antioxidant [...] Read more.

Probing the chemical profiles and biological activities of medicinal plants is important for the discovery of new potent therapeutic products. Our study deciphers the chemical composition of the essential oils (EOs) obtained from three different flowers of Lantana camara and evaluates their antioxidant and anticancer activities. This work represents the first study of EOs obtained from this plant and is based particularly on the difference in flower color. In addition, no other reports dealing specifically with the antitumor effects of such flower-derived EOs have been described in the literature. The collected flowers, white, pink, and orange, were extracted by hydrodistillation to yield EO1, EO2, and EO3 respectively. Gas chromatography–mass spectroscopy was primarily employed to identify the existing volatile compounds in the samples. Their antioxidant activities were screened through both DPPH (2,2-diphenyl-1-picrylhydrazyl) scavenging assays and FRAP (ferric-reducing antioxidant power) assays. The antiproliferative effects were evaluated on two distinct breast cancer cell lines, MCF-7 and MDA-MB-231, and compared to a normal human breast cell line, MCF-10A, using an MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium) assay. All EOs showed notable antioxidant potential attributed to the active phytochemical compounds, with results being supported by a positive correlation between such activity and the total phenolic and flavonoid content. The most eminent, EO1, revealed a selective dose-dependent antiproliferative effect in both breast cancer cell lines, thus reflecting its potent role as an anticancer agent. We suggest that this highly selective activity is associated with the presence of bicyclogermacrene and epi-bicyclosesquiphellandrene in its chemical composition. Full article

(This article belongs to the Special Issue Advances in Plant-Sourced Natural Compounds as Anticancer Agents)

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12 pages, 280 KiB

Open AccessArticle

Insecticidal and Repellent Activity of Piper crassinervium Essential Oil and Its Pure Compounds Against Imported Fire Ants (Hymenoptera: Formicidae)

by Farhan Mahmood Shah, Mei Wang, Jianping Zhao, Joseph Lee, Paulo Vitor Farago, Jane Manfron, Ikhlas A. Khan and Abbas Ali

Molecules 2024, 29(22), 5430; https://doi.org/10.3390/molecules29225430 (registering DOI) - 18 Nov 2024

Abstract

Piper crassinervium Kunth (Piperaceae) essential oil (EO) was evaluated for its toxicity and repellency against red imported fire ants (RIFA), Solenopsis invicta Buren, and a hybrid (HIFA) of red (S. invicta) and black (S. richteri Forel) imported fire ants. Through bioactivity-guided [...] Read more.

Piper crassinervium Kunth (Piperaceae) essential oil (EO) was evaluated for its toxicity and repellency against red imported fire ants (RIFA), Solenopsis invicta Buren, and a hybrid (HIFA) of red (S. invicta) and black (S. richteri Forel) imported fire ants. Through bioactivity-guided fractionation, two major components, elemicin and myristicin, were isolated from the EO. Removal of treated sand in a digging bioassay was used as the criterion for repellency. The EO showed significantly higher repellency at concentrations of 7.8 µg/g against RIFA and HIFA workers, as compared to the DEET (N,N-diethyl-meta-toluamide) or ethanol control. Elemicin exhibited repellency at 3.9 and 7.8 µg/g against RIFA and HIFA workers, respectively, whereas myristicin was active at 7.8 µg/g against both species. DEET failed at 31.25 µg/g against RIFA and 15.6 µg/g against HIFA. The EO showed LC₅₀ values of 97.9 and 73.7 µg/g against RIFA and HIFA workers, respectively. Myristicin was more toxic against RIFA and HIFA with LC₅₀ values of 54.3 and 35.3 µg/g, respectively. Elemicin showed 20–40% mortality at the highest screening dose of 125 µg/g. Fipronil exhibited the highest toxicity against RIFA and HIFA, with LC₅₀ of 0.43 and 0.51 µg/g, respectively. Different formulations of these natural products should be evaluated to explore their use potential under natural field conditions. Full article

(This article belongs to the Special Issue Extraction, Characterization, and Potential Applications of Bioactive Molecules from Natural Sources, 4th Edition)

12 pages, 3932 KiB

Open AccessArticle

FeNi-Based Aerogels Containing FeNi₃ Nanoclusters Embedded with a Crystalline–Amorphous Heterojunction as High-Efficiency Oxygen Evolution Catalysts

by Tao Li, Jiahui Chen, Zihao Song, Shujie Zhong and Wei Feng

Molecules 2024, 29(22), 5429; https://doi.org/10.3390/molecules29225429 (registering DOI) - 18 Nov 2024

Abstract

In green hydrogen production via water electrolysis, catalysts with multiscale nanostructures synthesized by compositing micro-heterojunctions and nanoporous structures exhibit excellent electrocatalytic oxygen evolution reaction (OER) performance. Moreover, they are the most promising non-noble metal catalysts. Herein, FeNi-based aerogels with a three-dimensional nanoporous structure [...] Read more.

In green hydrogen production via water electrolysis, catalysts with multiscale nanostructures synthesized by compositing micro-heterojunctions and nanoporous structures exhibit excellent electrocatalytic oxygen evolution reaction (OER) performance. Moreover, they are the most promising non-noble metal catalysts. Herein, FeNi-based aerogels with a three-dimensional nanoporous structure and amorphous matrix embedded with FeNi₃ nanoclusters were synthesized via wet chemical reduction coprecipitation. The FeNi₃ nanoclusters and the FeNi-based amorphous matrix formed a crystalline–amorphous heterojunction. These aerogels exhibited excellent OER performance and electrocatalytic stability in alkaline electrolytes. In 1 mol/L of KOH electrolyte, the as-synthesized aerogel exhibited an overpotential of 262 mV at a current density of 20 mA cm⁻² with a Tafel slope of only 46 mV dec⁻¹. It also demonstrated excellent stability during a 12 h chronopotentiometry test. Full article

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12 pages, 4376 KiB

Open AccessArticle

High-Quality Epitaxial Cobalt-Doped GaN Nanowires on Carbon Paper for Stable Lithium-Ion Storage

by Peng Wu, Xiaoguang Wang, Danchen Wang, Yifan Wang, Qiuju Zheng, Tailin Wang, Changlong Sun, Dan Liu, Fuzhou Chen and Sake Wang

Molecules 2024, 29(22), 5428; https://doi.org/10.3390/molecules29225428 (registering DOI) - 18 Nov 2024

Abstract

Due to its distinctive structure and unique physicochemical properties, gallium nitride (GaN) has been considered a prospective candidate for lithium storage materials. However, its inferior conductivity and unsatisfactory cycle performance hinder the further application of GaN as a next-generation anode material for lithium-ion [...] Read more.

Due to its distinctive structure and unique physicochemical properties, gallium nitride (GaN) has been considered a prospective candidate for lithium storage materials. However, its inferior conductivity and unsatisfactory cycle performance hinder the further application of GaN as a next-generation anode material for lithium-ion batteries (LIBs). To address this, cobalt (Co)-doped GaN (Co-GaN) nanowires have been designed and synthesized by utilizing the chemical vapor deposition (CVD) strategy. The structural characterizations indicate that the doped Co elements in the GaN nanowires exist as Co²⁺ rather than metallic Co. The Co²⁺ prominently promotes electrical conductivity and ion transfer efficiency in GaN. The cycling capacity of Co-GaN reached up to 495.1 mA h g⁻¹ after 100 cycles. After 500 cycles at 10 A g⁻¹, excellent cycling capacity remained at 276.6 mA h g⁻¹. The intimate contact between Co-GaN nanowires and carbon paper enhances the conductivity of the composite. Density functional theory (DFT) calculations further illustrated that Co substitution changed the electron configuration in the GaN, which led to enhancement of the electron transfer efficiency and a reduction in the ion diffusion barrier on the Co-GaN electrode. This doping design boosts the lithium-ion storage performance of GaN as an advanced material in lithium-ion battery anodes and in other electrochemical applications. Full article

(This article belongs to the Special Issue Two-Dimensional Materials: From Synthesis to Applications, 2nd Edition)

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34 pages, 1382 KiB

Open AccessReview

Molecular Characteristics and Processing Technologies of Dairy Products from Non-Traditional Species

by Isabela Pérez Núñez, Rommy Díaz, John Quiñones, Ailín Martínez, Lidiana Velázquez, Rodrigo Huaiquipán, Daniela Tapia, Alex Muñoz, Marcos Valdés, Néstor Sepúlveda and Erwin Paz

Molecules 2024, 29(22), 5427; https://doi.org/10.3390/molecules29225427 (registering DOI) - 18 Nov 2024

Abstract

Non-bovine dairy animals, commonly referred to as non-traditional dairy species, include goats, sheep, yaks, buffalo, donkeys, alpacas, llamas, and other less commonly farmed species. These animals have been integral to livestock systems since ancient times, providing milk and other essential products. Despite their [...] Read more.

Non-bovine dairy animals, commonly referred to as non-traditional dairy species, include goats, sheep, yaks, buffalo, donkeys, alpacas, llamas, and other less commonly farmed species. These animals have been integral to livestock systems since ancient times, providing milk and other essential products. Despite their historical significance, dairy production from many of these species remains predominantly confined to rural areas in developing countries, where scientific advancements and technical improvements are often limited. As a consequence of this, the scientific literature and technological developments in the processing and characterization of dairy products from these species have lagged behind those for cow’s milk. This review aims to compile and analyze existing research on dairy products derived from non-traditional animals, focusing on their molecular characteristics, including proteins (alpha, beta, kappa, and total casein), fats (cholesterol and total fat), lactose, albumin, ash, total solids, and somatic cell count, among others, for each of these species. Additionally, we discuss emerging technologies employed in their processing, encompassing both non-thermal methods (such as high-pressure processing, pulsed electric fields, ultrasound processing, UV-C irradiation, gamma radiation, microfiltration, and cold plasma processing) and thermal methods (such as ohmic heating). This review also explores the specific potential applications and challenges of implementing these technologies. By synthesizing recent findings, we aim to stimulate further research into innovative technologies and strategies that can enhance the quality and yield of non-bovine dairy products. Understanding the unique properties of milk from these species may lead to new opportunities for product development, improved processing methods, and increased commercialization in both developing and developed markets. Full article

(This article belongs to the Special Issue Bioproducts for Health III)

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17 pages, 4271 KiB

Open AccessArticle

Efficient Removal of Cationic Dye by Biomimetic Amorphous Calcium Carbonate: Behavior and Mechanisms

by Renlu Liu, Weizhen Ji, Jie Min, Pengjun Wen, Yan Li, Jialu Hu, Li Yin and Genhe He

Molecules 2024, 29(22), 5426; https://doi.org/10.3390/molecules29225426 (registering DOI) - 18 Nov 2024

Abstract

The search for efficient, environmentally friendly adsorbents is critical for purifying dye wastewater. In this study, we produced a first-of-its-kind effective biomimetic amorphous calcium carbonate (BACC) using bacterial processes and evaluated its capacity to adsorb a hazardous organic cationic dye—methylene blue (MB). BACC [...] Read more.

The search for efficient, environmentally friendly adsorbents is critical for purifying dye wastewater. In this study, we produced a first-of-its-kind effective biomimetic amorphous calcium carbonate (BACC) using bacterial processes and evaluated its capacity to adsorb a hazardous organic cationic dye—methylene blue (MB). BACC can adsorb a maximum of 494.86 mg/g of MB, and this excellent adsorption performance was maintained during different solution temperature (10–55 °C) and broad pH (3–12) conditions. The favorable adsorption characteristics of BACC can be attributable to its hydrophobic property, porosity, electronegativity, and perfect dispersity in aqueous solution. During adsorption, MB can form Cl-Ca, S-O, N-Ca, and H-bonds on the surface of BACC. Since BACC has excellent resistance to adsorption interference in different water bodies and in real dye wastewater, and can also be effectively recycled six times, our study is an important step forward in dye wastewater treatment applications. Full article

(This article belongs to the Special Issue Functional Nanomaterials for Energy and Environmental Sustainability)

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10 pages, 1914 KiB

Open AccessArticle

Nitric Oxide and Small and Intermediate Calcium-Activated Potassium Channels Mediate the Vasodilation Induced by Apigenin in the Resistance Vessels of Hypertensive Rats

by Lislaine Maria Klider, Maria Luiza Fidelis da Silva, Gustavo Ratti da Silva, João Ricardo Cray da Costa, Marcia Alessandra Arantes Marques, Emerson Luiz Botelho Lourenço, Francislaine Aparecida dos Reis Lívero, Jane Manfron and Arquimedes Gasparotto Junior

Molecules 2024, 29(22), 5425; https://doi.org/10.3390/molecules29225425 (registering DOI) - 18 Nov 2024

Abstract

Background: Apigenin (4′,5,7-trihydroxyflavone), a flavonoid with potential cardiovascular benefits, has unclear mechanisms of action. This study investigates its effects on vascular function in Spontaneously Hypertensive Rats (SHRs). Methods: Mesenteric vascular beds (MVBs) were isolated from SHRs and perfused with increasing doses of apigenin [...] Read more.

Background: Apigenin (4′,5,7-trihydroxyflavone), a flavonoid with potential cardiovascular benefits, has unclear mechanisms of action. This study investigates its effects on vascular function in Spontaneously Hypertensive Rats (SHRs). Methods: Mesenteric vascular beds (MVBs) were isolated from SHRs and perfused with increasing doses of apigenin after pre-contraction with phenylephrine. To explore the mechanisms, different MVBs were pre-perfused with antagonists and inhibitors, including indomethacin, L-NAME, and potassium channel blockers (tetraethylammonium, a non-specific potassium channel blocker; glibenclamide, an ATP-sensitive potassium channel blocker; 4-aminopyridine, a voltage-gated potassium channel blocker; charybdotoxin a selective intermediate-conductance calcium-activated potassium channel blocker; and apamin, a selective small-conductance calcium-activated potassium channel blocker). Results: Apigenin induced a dose-dependent reduction in perfusion pressure in MVBs with intact endothelium, an effect abolished by endothelium removal. L-NAME reduced apigenin-induced vasodilation by approximately 40%. The vasodilatory effect was blocked by potassium chloride and tetraethylammonium. The inhibition of small and intermediate calcium-activated potassium channels with charybdotoxin and apamin reduced apigenin-induced vasodilation by 50%, and a combination of these blockers with L-NAME completely inhibited the effect. Conclusions: Apigenin promotes vasodilation in resistance arteries through endothelial nitric oxide and calcium-activated potassium channels. These findings suggest that apigenin could have therapeutic potential in cardiovascular disease, warranting further clinical research. Full article

(This article belongs to the Special Issue Analyses and Applications of Phenolic Compounds in Food—2nd Edition)

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15 pages, 5867 KiB

Open AccessArticle

Using Computer Modeling and Experimental Methods to Screen for Aptamers That Bind to the VV-GMCSF-LACT Virus

by Maya Dymova, Natalia Vasileva, Daria Malysheva, Alisa Ageenko, Irina Shchugoreva, Polina Artyushenko, Felix Tomilin, Anna S. Kichkailo, Elena Kuligina and Vladimir Richter

Molecules 2024, 29(22), 5424; https://doi.org/10.3390/molecules29225424 (registering DOI) - 17 Nov 2024

Abstract

Oncolytic virotherapy is a promising approach for cancer treatment. However, when introduced into the body, the virus provokes the production of virus-neutralizing antibodies, which can reduce its antitumor effect. To shield viruses from the immune system, aptamers that can cover the membrane of [...] Read more.

Oncolytic virotherapy is a promising approach for cancer treatment. However, when introduced into the body, the virus provokes the production of virus-neutralizing antibodies, which can reduce its antitumor effect. To shield viruses from the immune system, aptamers that can cover the membrane of the viral particle are used. Aptamers that specifically bind to the JX-594 strain of the vaccinia virus were developed earlier. However, the parameters for binding to the recombinant virus VV-GMCSF-Lact, developed based on the LIVP strain of the vaccinia virus, may differ due its different repertoire of antigenic determinants on its membrane compared to JX-594. In this work, the spatial atomic structures of aptamers to JX-594 and bifunctional aptamers were determined using molecular modeling. The efficiency of viral particles binding to the aptamers (EC50), as well as the cytotoxicity and stability of the aptamers were studied. The synergistic effect of the VV-GMCSF-Lact combination with the aptamers in the presence of serum was investigated using human glioblastoma cells. This proposed approach allowed us to conduct a preliminary screening of sequences using in silico modeling and experimental methods, and identified potential candidates that are capable of shielding VV-GMCSF-Lact from virus-neutralizing antibodies. Full article

(This article belongs to the Section Medicinal Chemistry)

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