Molecules

14 pages, 1747 KiB

Open AccessArticle

Influence of Phosphate Marinades on the Quality and Flavor Characteristics of Prepared Beef

by Wanqi Wang, Maomao Zeng, Qiuming Chen, Zhaojun Wang, Zhiyong He and Jie Chen

Molecules 2025, 30(1), 202; https://doi.org/10.3390/molecules30010202 - 6 Jan 2025

Viewed by 892

Phosphate has been widely used in beef to improve processing characteristics such as tenderness and water-holding capacity. However, the effects of phosphates on the quality and especially the flavor of beef are not well understood. This study investigated the influence of eight different [...] Read more.

Phosphate has been widely used in beef to improve processing characteristics such as tenderness and water-holding capacity. However, the effects of phosphates on the quality and especially the flavor of beef are not well understood. This study investigated the influence of eight different phosphate marinade solutions on the quality and flavor of prepared beef. The results revealed that the thawing loss in the control group was 11.47%, and NaCl with sodium hexametaphosphate (SYCP) had the lowest thawing loss, with a value of 2.13%, which was reduced by 81.43% as compared to the control group. The shear force of the control group was 3.85 kg, and the shear work was 10.03 kg. The best tenderness was recorded in the NaCl with sodium hexametaphosphate (SYST) group, which had a shear force of 1.14 kg and shear work of 3.34 kg. The incorporation of phosphates suppressed fat oxidation and increased the total free amino acid content. Additionally, the levels of certain key volatile flavor compounds, particularly those associated with fat oxidation, such as hexanal, heptanal, octanal, and nonanal, were reduced. In terms of sensory evaluation, juiciness, flavor, tenderness, and overall acceptability in the treatment group were significantly increased (p < 0.05). Overall, the results indicate that adding phosphates can enhance the quality of processed beef, inhibit lipid oxidation, and improve sensory evaluation. Full article

(This article belongs to the Special Issue New Achievements and Challenges in Food Chemistry)

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8 pages, 908 KiB

Open AccessCommunication

Efficient Synthesis of cis,cis-Muconic Acid by Catechol Oxidation of Ozone in the Presence of a Base

by Kohtaro Katayama, Hiroki Hotta and Yoshio Tsujino

Molecules 2025, 30(1), 201; https://doi.org/10.3390/molecules30010201 - 6 Jan 2025

Viewed by 666

Abstract

Muconic acid, a crucial precursor in synthesizing materials like PET bottles and nylon, is pivotal for the anticipated growth in the textiles and plastics industries. This study presents a novel chemical synthesis route for cis,cis-muconic acid (ccMA) using catechol. Biochemical [...] Read more.

Muconic acid, a crucial precursor in synthesizing materials like PET bottles and nylon, is pivotal for the anticipated growth in the textiles and plastics industries. This study presents a novel chemical synthesis route for cis,cis-muconic acid (ccMA) using catechol. Biochemical methods face scale-up challenges due to microorganism sensitivity and complex extraction processes, while chemical methods involve environmentally harmful substances and have low yields. Our research introduces a method that enhances ccMA yield to 56% by employing ozonation in the presence of an alkali, significantly simplifying the synthesis process. This one-step synthesis reduces reagent use and labor, aligns with green chemistry principles, and avoids using toxic chemicals. The methodology, involving the low-temperature ozonation of catechol with base addition, reduces ccMA degradation and improves yield, as confirmed by an HPLC analysis and replicated experiments. This promising approach could lead to sustainable industrial synthesis of muconic acid derivatives. Further investigations will focus on refining this method for larger-scale applications and testing its economic viability, aiming to optimize conditions for maximum efficiency and yield. Full article

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15 pages, 3075 KiB

Open AccessArticle

Effectiveness of Different Organic Solvent Additions to Water Samples for Reducing the Adsorption Effects of Organic Pesticides Using Ultra-High-Performance Liquid Chromatography–Tandem Mass Spectrometry

by Yucan Liu, Xinyi Xu, Ying Wang, Yan Zhang, Jianbo Lu, Chengbin Liu, Jinming Duan and Hongwei Sun

Molecules 2025, 30(1), 200; https://doi.org/10.3390/molecules30010200 - 6 Jan 2025

Viewed by 588

Abstract

This study systematically investigated the effect of organic solvent addition on the detection signal intensity of 15 organic pesticides in water using ultra-high-performance liquid chromatography–electrospray ionization–tandem mass spectrometry (UHPLC–ESI–MS/MS). The analysis of chromatographic peak area ratios in ultrapure water (UPW) versus 30% methanol [...] Read more.

This study systematically investigated the effect of organic solvent addition on the detection signal intensity of 15 organic pesticides in water using ultra-high-performance liquid chromatography–electrospray ionization–tandem mass spectrometry (UHPLC–ESI–MS/MS). The analysis of chromatographic peak area ratios in ultrapure water (UPW) versus 30% methanol (MeOH)–UPW showed that the adsorption effects (AEs, mainly from injection vials with weaker polarity) were the main factor influencing the detection intensity of the organic pesticides. The AEs varied with pesticide type and concentration, especially for those with high logK_ow values and longer retention times, such as malathion, triadimefon, prometryn, S–metolachlor, diazinon, and profenofos. Significant differences were observed in the ability of five organic solvents (MeOH, dimethyl sulfoxide, isopropanol, acetonitrile, and acetone) to reduce AEs, with MeOH being the most effective. Optimal solvent ratios were determined to minimize AEs in aqueous solutions. Additionally, plastic injection vials caused greater AEs than glass injection vials, but the addition of organic solvents increased the detection intensity of the analytes for vials of both materials. Density functional theory calculations of the binding energies between pesticides (diazinon, malathion, and S–metolachlor) and vial materials further confirmed the effect of AE on the detection intensity of the analytes. This study showed that the addition of MeOH to real water samples effectively reduced or eliminated the effects of AEs, achieving a good linearity of calibration curves (0.05/0.1–5 μg/L, R² = 0.9853–0.9998), high sensitivity (LOD = 5–32 ng/L), precision (RSD = 1.4–14.5%), and accuracy (average recoveries = 80.6–121.8%). These results provide technical and methodological support for mitigating the effects of AEs on pesticide detection in water using UHPLC–ESI–MS/MS. Full article

(This article belongs to the Section Analytical Chemistry)

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12 pages, 1733 KiB

Open AccessArticle

Thermal Characterization and Heat Capacities of Seven Polyphenols

by Iván Montenegro, Carmen Pérez, Begoña González, Ángeles Domínguez and Elena Gómez

Molecules 2025, 30(1), 199; https://doi.org/10.3390/molecules30010199 - 6 Jan 2025

Viewed by 478

Abstract

Polyphenolic compounds are key elements in sectors such as pharmaceutics, cosmetics and food; thus, their physicochemical characterization is a vital task. In this work, the thermal behavior of seven polyphenols (trans-resveratrol, trans-polydatin, kaempferol, quercetin, myricetin, hesperidin, and (−)-epicatechin) was investigated [...] Read more.

Polyphenolic compounds are key elements in sectors such as pharmaceutics, cosmetics and food; thus, their physicochemical characterization is a vital task. In this work, the thermal behavior of seven polyphenols (trans-resveratrol, trans-polydatin, kaempferol, quercetin, myricetin, hesperidin, and (−)-epicatechin) was investigated with DSC (differential scanning calorimetry) and TGA (thermogravimetric analysis). Melting temperatures, enthalpies of fusion and decomposition temperatures were determined, and heat capacities were measured in the temperature range from 283.15 K to 363.15 K. Results were compared to the scarce experimental data available in the literature, showing a satisfactory agreement. All compounds were found to be thermally stable until melting, upon which they rapidly decomposed. Myricetin was the only polyphenol that presented polymorphic behavior, exhibiting two phase transitions prior to melting. Heat capacities increased minimally with temperature in the studied range. In addition, the group contribution method developed by Marrero and Gani was used to estimate the thermal properties of the polyphenols, achieving high accuracy for melting temperatures. Full article

(This article belongs to the Special Issue 10th Anniversary of Green Chemistry Section)

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16 pages, 5537 KiB

Open AccessArticle

Artemisinin Stimulates Neuronal Cell Viability and Possess a Neuroprotective Effect In Vitro

by Sergey A. Pukhov, Alexey V. Semakov, Nadezhda E. Pukaeva, Olga A. Kukharskaya, Tatyana V. Ivanova, Viktoriya S. Kryshkova, Sergey O. Bachurin and Michail S. Kukharsky

Molecules 2025, 30(1), 198; https://doi.org/10.3390/molecules30010198 - 6 Jan 2025

Viewed by 582

Abstract

Artemisinin is a sesquiterpene lactone derived from the plant Artemisia annua L., renowned for its antimalarial activity. Based on this compound, various derivatives and analogues have been obtained that exhibit diverse biological activities, including clinically approved drugs. Recently, increasing evidence has highlighted the [...] Read more.

Artemisinin is a sesquiterpene lactone derived from the plant Artemisia annua L., renowned for its antimalarial activity. Based on this compound, various derivatives and analogues have been obtained that exhibit diverse biological activities, including clinically approved drugs. Recently, increasing evidence has highlighted the neuroprotective potential of artemisinin. In this study, we evaluated the effects of artemisinin on the viability of neuronal-like cells, including primary hippocampal neuronal cultures. Artemisinin exhibited a stimulating effect on SH-SY5Y and HEK-293 cells and enhanced the survival of primary neurons at low concentrations (1 µM). In contrast, artemisinin derivatives, such as dihydroartemisinin, anhydrodihydroartemisinin, and artemisitene, did not display similar stimulatory activity, suggesting that the intact lactone ring is crucial for this property. Furthermore, artemisinin demonstrated a protective effect against endoplasmic reticulum (ER) stress induced by the proteasome inhibitor MG132 in SH-SY5Y cells. However, it did not exhibit protective activity against oxidative stress induced by sodium arsenite. Additionally, artemisinin effectively inhibited the aggregation of mutated TDP-43 protein in transfected SH-SY5Y cells. These findings suggest that artemisinin exerts neuroprotective effects by targeting key molecular pathways associated with neurodegeneration, offering potential therapeutic insights for related conditions. Full article

(This article belongs to the Section Medicinal Chemistry)

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15 pages, 2897 KiB

Open AccessArticle

Formulation and Evaluation of the Antioxidant Activity of an Emulsion Containing a Commercial Green Tea Extract

by Anna Sykuła, Izabela Janiak-Włodarczyk and Ireneusz Tomasz Kapusta

Molecules 2025, 30(1), 197; https://doi.org/10.3390/molecules30010197 - 6 Jan 2025

Viewed by 621

Abstract

The addition of an extract to an emulsion is intended to improve its fragrance and care qualities. Green tea is a beverage known all over the world. It is tasty and has beneficial effects on human health due to its high polyphenol content. [...] Read more.

The addition of an extract to an emulsion is intended to improve its fragrance and care qualities. Green tea is a beverage known all over the world. It is tasty and has beneficial effects on human health due to its high polyphenol content. The compounds present in this variety of tea have also made it an interesting cosmetic ingredient. The polyphenols contained in green tea have antioxidant properties and can delay the ageing process in human skin. Various preparations with this ingredient can be found on the market—from creams to hair care products. Making one’s own cosmetics is also a trend. In the following study, three creams containing green tea extracts from three different manufacturers were prepared, and the total polyphenol (TP) contents, the phenolic profile of the extracts used and the antioxidant activity of these preparations were examined using two methods: DPPH^• and ABTS^•+ cationic radicals. The study showed that the antioxidant activity of the glycerin–water extracts measured by the selected methods was higher than that of the oil extract. Among the creams, the product with green tea extract from Firm 2 (glycerin–water extract) showed the best antioxidant properties. Full article

(This article belongs to the Collection Advances in Food Chemistry)

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18 pages, 3700 KiB

Open AccessArticle

The Anti-Inflammatory Effects of Formononetin, an Active Constituent of Pueraria montana Var. Lobata, via Modulation of Macrophage Autophagy and Polarization

by Linyi Xu, Shuo Zhou, Jing Li, Wenbo Yu, Wenyi Gao, Haoming Luo and Xiaoxue Fang

Molecules 2025, 30(1), 196; https://doi.org/10.3390/molecules30010196 - 6 Jan 2025

Viewed by 620

Abstract

Pueraria montana var. lobata (Willd.) Maesen & S.M.Almeida ex Sanjappa & Predeep (P. lobata) is a medicinal herb widely used in the food and pharmaceutical industries, and studies have shown that P. lobata possesses significant anti-inflammatory pharmacological activities. In this paper, [...] Read more.

Pueraria montana var. lobata (Willd.) Maesen & S.M.Almeida ex Sanjappa & Predeep (P. lobata) is a medicinal herb widely used in the food and pharmaceutical industries, and studies have shown that P. lobata possesses significant anti-inflammatory pharmacological activities. In this paper, a total of 16 compounds were isolated and identified from P. lobata, among which compounds 1–3, 7, 14, and 16 were isolated from P. lobata for the first time. The results of an in vitro anti-inflammatory activity screening assay showed that compounds 1, 4, 6, 8, and 15 were able to significantly reduce the levels of pro-inflammatory cytokines IL-6 and IL-1β in LPS-induced RAW264.7 macrophages, with the most obvious effect produced by compound 6 (formononetin), while formononetin was able to significantly reduce the number of macrophages at the site of inflammation in transgenic zebrafish. In addition, network pharmacological analysis revealed that the anti-inflammatory activity of formononetin is closely related to autophagy and polarization targets such as TNF, EGFR, PTGS2, and ESR1. In vitro validation experiments showed that formononetin could enhance the expression of LCII/LCI and reduce the expression of P62 protein, reduce the expression of CD86, and enhance the expression of CD206, which further indicated that formononetin could reduce inflammation by regulating macrophage autophagy and polarization processes. Full article

(This article belongs to the Special Issue Isolation, Identification and Application of Biologically Active Natural Products—Second Edition)

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22 pages, 10352 KiB

Open AccessArticle

Physico-Chemical Properties of Granular Sorbents Based on Natural Bentonite Modified by Polyhydroxocations of Aluminum and Iron (III) by Co-Precipitation

by Bakytgul Kussainova, Gaukhar Tazhkenova, Ivan Kazarinov, Marina Burashnikova, Raigul Ramazanova, Yelena Ivashchenko, Bekzat Saurbayeva, Batima Tantybayeva, Ainur Seitkan, Gulsim Matniyazova, Khalipa Sadiyeva, Aisha Nurlybayeva and Aidana Bazarkhankyzy

Molecules 2025, 30(1), 195; https://doi.org/10.3390/molecules30010195 - 6 Jan 2025

Viewed by 503

Abstract

The physicochemical and adsorption properties of granular sorbents based on natural bentonite and modified sorbents based on it have been studied. It was found that modification of natural bentonite with iron (III) polyhydroxocations (mod. 1_Fe_5 GA) and aluminum (III) (mod. 1_Al_5 GA) by [...] Read more.

The physicochemical and adsorption properties of granular sorbents based on natural bentonite and modified sorbents based on it have been studied. It was found that modification of natural bentonite with iron (III) polyhydroxocations (mod. 1_Fe_5 GA) and aluminum (III) (mod. 1_Al_5 GA) by the “co-precipitation” method leads to a change in their chemical composition, structure, and sorption properties. It is shown that modified sorbents based on natural bentonite are finely porous (nanostructured) objects with a predominance of pores measuring 1.5–8.0 nm, with a specific surface area of 55–65 m²/g. Modification of bentonite with iron (III) and aluminum compounds by the “co-precipitation” method also leads to an increase in the sorption capacity of the obtained sorbents with respect to bichromate and arsenate anions and nickel cations by 5-10 times compared with natural bentonite. The obtained sorption isotherms were classified as Langmuir type isotherms. Kinetic analysis showed that at the initial stage the sorption process is controlled by an external diffusion factor, i.e. refers to the diffusion of sorbent from solution into a liquid film on the surface of the sorbent. Then the sorption process begins to proceed in a mixed diffusion mode, when it limits both the external diffusion factor and the internal diffusion factor (the diffusion of the sorbent to the active centers through the system of pores and capillaries). To determine the contribution of the chemical stage to the rate of adsorption of bichromate and arsenate anions and nickel(II) cations with the studied granular sorbents, kinetic curves were processed using the equations of chemical kinetics (pseudo-second-order model). As a result, it was found that the adsorption of the studied anions by modified sorbents based on natural bentonite is best described by a pseudo-second-order kinetic model. It is shown that the use of natural bentonite for the development of technology for the production of granular sorbents based on it has an undeniable advantage, firstly, in terms of its chemical and structural properties, it is easily and effectively modified, and secondly, having astringent properties, granules are easily made on its basis, which turn into ceramics during high-temperature firing. The result is a granular sorbent with high physical and mechanical properties. Since bentonite is an environmentally friendly product, the technology of recycling spent sorbents is also greatly simplified. Full article

(This article belongs to the Special Issue Recent Advances in Porous Materials)

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27 pages, 6286 KiB

Open AccessArticle

Cannabis sativa L. Extract Increases COX-1, COX-2 and TNF-α in the Hippocampus of Rats with Neuropathic Pain

by Joanna Bartkowiak-Wieczorek, Małgorzata Jamka, Radosław Kujawski, Marcin Hołysz, Agnieszka Bienert, Kamila Czora-Poczwardowska, Michał Szulc, Przemysław Mikołajczak, Anna Bogacz, Anna-Maria Wizner, Karolina Wielgus, Ryszard Słomski and Edyta Mądry

Molecules 2025, 30(1), 194; https://doi.org/10.3390/molecules30010194 - 6 Jan 2025

Viewed by 887

Abstract

Inflammation is the critical component of neuropathic pain; therefore, this study aimed to assess the potential anti-inflammatory effects of Cannabis sativa L. extracts in a vincristine-induced model of neuropathic pain. The effects of different doses (5.0–40.0 mg/kg) of two Cannabis sativa L. extracts [...] Read more.

Inflammation is the critical component of neuropathic pain; therefore, this study aimed to assess the potential anti-inflammatory effects of Cannabis sativa L. extracts in a vincristine-induced model of neuropathic pain. The effects of different doses (5.0–40.0 mg/kg) of two Cannabis sativa L. extracts (B and D) on COX-1, COX-2, TNF-α, and NF-κB mRNA and protein levels were examined in the rat hippocampus, cerebral cortex, and blood lymphocytes. There were statistically significant differences in COX-1, COX-2, and TNF-α mRNA and protein expression in the hippocampus and cerebral cortex, with significant differences in COX-2 and TNF-α in the lymphocytes. Extract D dose-dependently increased COX-1 mRNA and protein in the hippocampus and cortex. In contrast, Extract B dose-dependently increased COX-1 mRNA and decreased COX-2 mRNA (in a dose of 7.5 mg/kg) and TNF-α protein levels in the cortex. Cannabis sativa L. extracts significantly influenced the expression of inflammatory genes and proteins, with effects varying based on dose and tissue type. The increased expression of COX-1, COX-2, and TNF-α (in comparison to groups receiving NaCl, vincristine, and gabapentin) in the rat hippocampus and COX-1 in the cerebral cortex suggests that Cannabis may have a pro-inflammatory effect. Due to species specificity, the results of our research based on rats require confirmation in humans. However, Cannabis sativa should be recommended with caution for treating pain with an inflammatory component. Full article

(This article belongs to the Special Issue Recent Advances in Cannabis and Hemp Research)

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14 pages, 3489 KiB

Open AccessArticle

Luminescent Iridium–Terpyridine Complexes with Various Bis-Cyclometalated Ligands

by Ko Ikeda, Natsumi Yano, Makoto Handa and Yusuke Kataoka

Molecules 2025, 30(1), 193; https://doi.org/10.3390/molecules30010193 - 6 Jan 2025

Viewed by 510

Abstract

A series of luminescent bis-cyclometalated iridium complexes with 2,2′:6′,2″-terpyridine (tpy), [Ir(C^N)₂(tpy)]PF₆ (C^N = 2-phenylpyridinate (ppy) for 1; benzo[h]quinolinate (bzq) for 2; 1-phenylisoquinolinate (piq) for 3; and 2-phenylbenzothiazolate (pbt) for 4), have been synthesized [...] Read more.

A series of luminescent bis-cyclometalated iridium complexes with 2,2′:6′,2″-terpyridine (tpy), [Ir(C^N)₂(tpy)]PF₆ (C^N = 2-phenylpyridinate (ppy) for 1; benzo[h]quinolinate (bzq) for 2; 1-phenylisoquinolinate (piq) for 3; and 2-phenylbenzothiazolate (pbt) for 4), have been synthesized and structurally characterized. Single-crystal X-ray diffraction analyses reveal that the tpy ligands of 1–4 are coordinated to the iridium center in a bidentate fashion, and the uncoordinated pendant pyridine rings in the tpy ligands of 1–4 form intramolecular π-π stacking interactions with a phenyl moiety of C^N ligands. In addition, the pendant pyridine ring in the tpy ligand of 1 forms an intramolecular hydrogen bonding interaction, unlike in 2–4. Of interest, the photophysical properties of 1–4 are strongly influenced by the C^N ligands; 1 shows a luminescence band at 572 nm, with a short lifetime (τ) value of 80 nsec and a lower absolute luminescence quantum yield (Φ) of 3.72%, whereas 3 exhibits an intense luminescence band at 588 nm with a long τ value of 1965 nsec and a moderate Φ value of 9.57%. The density functional theory calculations revealed that the luminescence originates from the triplet metal–ligand to ligand charge transfer (³MLL′CT) excited state. Full article

(This article belongs to the Section Inorganic Chemistry)

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11 pages, 7884 KiB

Open AccessArticle

Tuning Electronic Structure and Optical Properties of Monolayered h-BN by Doping C, Cu and Al

by Qun Li, Tengchao Gao, Kuo Zhang, Xiangming Che and Guolong Ni

Molecules 2025, 30(1), 192; https://doi.org/10.3390/molecules30010192 - 6 Jan 2025

Viewed by 431

Abstract

As a graphene-like material, h-BN has stimulated great research interest recently due to its potential application for next-generation electronic devices. Herein, a systematic theoretical investigation of electronic structures and optical properties of C-doped and Cu-Al co-doped h-BN is carried out by the first-principles [...] Read more.

As a graphene-like material, h-BN has stimulated great research interest recently due to its potential application for next-generation electronic devices. Herein, a systematic theoretical investigation of electronic structures and optical properties of C-doped and Cu-Al co-doped h-BN is carried out by the first-principles calculations. Firstly, two different C-doped h-BN structures for the para-position and ortho-position are constructed. The results show that the C ortho-doped h-BN (BCN) structure with a band gap of 3.05 eV is relatively stable, which is selected as a substate to achieve the Cu-Al co-doped h-BN. Based on this, the effect of the concentration of C atom doping on the electronic and optical properties of Cu-Al co-doped BC_xN (x = 0, 11.1% and 22.2%) is investigated. The results demonstrate that the band gap of Cu-Al co-doped BC_xN decreases and the optical properties improve with the increase in C atom concentration. The band gap and static dielectric constant of Cu-Al co-doped BC₀N, BC₁N and BC₂N are 0.98 eV, 0.87 eV and 0.23 eV and 2.34, 3.03 and 3.77, respectively. As for all Cu-Al co-doped BC_xN systems, the adsorption peak is red-shifted, and the peak intensity obviously decreases compared to the undoped h-BN. Additionally, the Cu-Al co-doped BC₂N exhibits the best response to visible light. This work will provide valuable guidance for designing and developing h-BN-based doping systems with good performance in the field of optical and photocatalysis. Full article

(This article belongs to the Special Issue Chemical Research on Photosensitive Materials)

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12 pages, 2414 KiB

Open AccessArticle

Scaling Behavior of Ionic Conductance Dependent on Surface Charge Inside a Single-Digit Nanopore

by Anping Ji, Lang Zhou, Qiming Xiao, Jigang Liu, Wenqian Huang, Yun Yu, Zhengwei Zhang, Junhao Pi, Chenxi Yang and Haoxuan Chen

Molecules 2025, 30(1), 191; https://doi.org/10.3390/molecules30010191 - 6 Jan 2025

Viewed by 474

Abstract

The ionic conductance in a charged nanopore exhibits a power-law behavior in low salinity—as has been verified in many experiments (

G_{0} \propto c_{0}^{α}

)—which is governed by surface charges. The surface charge inside a nanopore determines the zeta potential [...] Read more.

The ionic conductance in a charged nanopore exhibits a power-law behavior in low salinity—as has been verified in many experiments (

G_{0} \propto c_{0}^{α}

)—which is governed by surface charges. The surface charge inside a nanopore determines the zeta potential and ion distributions, which have a significant impact on ion transport, especially in a single-digit nanopore with potential leakage. However, precisely measuring surface charge density in a single-digit nanopore remains a challenge. Here, we propose a methodology for exploring the power-law variation of ionic conductance, with potential leakage taken into account. We conducted experiments to measure the ionic current using silicon nitride nanopores and employed a continuous theory to explore the relationship between pore-bound concentration and surface charges. Considering that the influence of potential leakage on concentration follows a power-law relationship, we established a coefficient (

α

) to examine the controlling factors of potential leakage and modified the conductance model to obtain the ion mobility inside a nanopore. Full article

(This article belongs to the Section Electrochemistry)

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20 pages, 5000 KiB

Open AccessArticle

The Effect of Alkyl Substituents on the Formation and Structure of Homochiral (R*,R*)-[R₂Ga(µ-OCH(Me)CO₂R′)]₂ Species—Towards the Factors Controlling the Stereoselectivity of Dialkylgallium Alkoxides in the Ring-Opening Polymerization of rac-Lactide

by Magdalena Kaźmierczak, Łukasz Dobrzycki, Maciej Dranka and Paweł Horeglad

Molecules 2025, 30(1), 190; https://doi.org/10.3390/molecules30010190 - 6 Jan 2025

Viewed by 538

Abstract

Building on our previous studies, which have demonstrated that homochiral propagating species—(R*,R*)-[Me₂Ga(µ-OCH(Me)CO₂R)]₂—were crucial for the heteroselectivity of [Me₂Ga(µ-OCH(Me)CO₂Me)]₂ in the ring-opening polymerization (ROP) of [...] Read more.

Building on our previous studies, which have demonstrated that homochiral propagating species—(R*,R*)-[Me₂Ga(µ-OCH(Me)CO₂R)]₂—were crucial for the heteroselectivity of [Me₂Ga(µ-OCH(Me)CO₂Me)]₂ in the ring-opening polymerization (ROP) of racemic lactide (rac-LA), we have investigated the effect of alkyl groups on the structure and catalytic properties of dialkylgallium alkoxides in the ROP of rac-LA. Therefore, we have isolated and characterized the rac-[R₂Ga(µ-OCH(Me)CO₂Me]₂ (R = Et (1), ⁱPr (2) and rac-[R₂Ga(µ-OCH(Me)C₅H₄N]₂ (R = Et (3), ⁱPr (4)) complexes, to demonstrate the effect of alkyl groups on the chiral recognition induced the formation of the respective homochiaral species—(R*,R*)-[R₂Ga(µ-OCH(Me)CO₂Me)]₂ and (R*,R*)-[R₂Ga(µ-OCH(Me)C₅H₄N]₂. Moreover, we have investigated the structure of (S,S)-[R₂Ga(µ-OCH(Me)CO₂Me]₂ (R = Et ((S,S)-1, R = ⁱPr ((S,S)-2,) and their catalytic activity in the ROP of rac-LA. With an increase in the bulkiness of alkyl substituents on gallium the following can be observed: (a) the tendency for the formation of homochiral complexes decreased, (b) the symmetry of homochiral (S,S)-[R₂Ga(µ-OCH(Me)CO₂Me]₂ (M = Me, Et (S,S)-1), ⁱPr (S,S)-2) changed, and both have resulted in (c) lower or no heteroselectivtity across these complexes in the ROP of rac-LA. Importantly, the results have confirmed the crucial role of the chiral-induced formation of homochiral asymmetric dimers on the heteroselectivity of dialkylgallium alkoxides in the ROP of rac-LA. Full article

(This article belongs to the Special Issue Organometallic Compounds: Design, Synthesis and Application)

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21 pages, 3141 KiB

Open AccessArticle

Biorefining Brazilian Green Propolis: An Eco-Friendly Approach Based on a Sequential High-Pressure Extraction for Recovering High-Added-Value Compounds

by Guilherme Dallarmi Sorita, Wilson Daniel Caicedo Chacon, Monique Martins Strieder, Camilo Rodriguez-García, Alcilene Monteiro Fritz, Silvani Verruck, Germán Ayala Valencia and José A. Mendiola

Molecules 2025, 30(1), 189; https://doi.org/10.3390/molecules30010189 - 6 Jan 2025

Viewed by 625

Abstract

Propolis is a valuable natural resource for extracting various beneficial compounds. This study explores a sustainable extraction approach for Brazilian green propolis. First, supercritical fluid extraction (SFE) process parameters were optimized (co-solvent: 21.11% v/v CPME, and temperature: 60 °C) to maximize [...] Read more.

Propolis is a valuable natural resource for extracting various beneficial compounds. This study explores a sustainable extraction approach for Brazilian green propolis. First, supercritical fluid extraction (SFE) process parameters were optimized (co-solvent: 21.11% v/v CPME, and temperature: 60 °C) to maximize yield, total phenolic content (TPC), antioxidant capacity, and LOX (lipoxygenase) inhibitory activity. GC–MS analysis identified 40 metabolites in SFE extracts, including fatty acids, terpenoids, phenolics, and sterols. After selecting the optimum SFE process parameters, a sequential high-pressure extraction (HPE) approach was developed, comprising SFE, pressurized liquid extraction (PLE) with EtOH/H₂O, and subcritical water extraction (SWE). This process was compared to a similar sequential extraction using low-pressure extractions (LPE) with a Soxhlet extractor. The HPE process achieved a significantly higher overall yield (80.86%) than LPE (71.43%). SFE showed higher selectivity, resulting in a lower carbohydrate content in the non-polar fraction, and PLE extracted nearly twice the protein amount of LPE–2. Despite the HPE selectivity, LPE extracts exhibited better acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and LOX inhibition, demonstrating that the neuroprotective and anti-inflammatory activity of the extracts may be associated with a symbiosis of a set of compounds. Finally, a comprehensive greenness assessment revealed that the HPE process proved more sustainable and aligned with green chemistry principles than the LPE method. Full article

(This article belongs to the Special Issue Bioactive Molecules in Foods: From Sources to Functional Applications)

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16 pages, 1339 KiB

Open AccessReview

Genistein Implications in Radiotherapy: Kill Two Birds with One Stone

by Xiongxiong Liu, Tong Zheng, Yanyu Bao, Ping Li, Ting Zhao, Yan Liu, Hui Wang and Chao Sun

Molecules 2025, 30(1), 188; https://doi.org/10.3390/molecules30010188 - 5 Jan 2025

Viewed by 676

Abstract

More than 70% of cancer patients receive radiotherapy during their treatment, with consequent various side effects on normal cells due to high ionizing radiation doses despite tumor shrinkage. To date, many radioprotectors and radiosensitizers have been investigated in preclinical studies, but their use [...] Read more.

More than 70% of cancer patients receive radiotherapy during their treatment, with consequent various side effects on normal cells due to high ionizing radiation doses despite tumor shrinkage. To date, many radioprotectors and radiosensitizers have been investigated in preclinical studies, but their use has been hampered by the high toxicity to normal cells or poor tumor radiosensitization effects. Genistein is a naturally occurring isoflavone found in soy products. It selectively sensitizes tumor cells to radiation while protecting normal cells from radiation-induced damage, thus improving the efficacy of radiotherapy and consequent therapeutic outcomes while reducing adverse effects. Genistein protects normal cells by its potent antioxidant effect that reduces oxidative stress and mitigates radiation-induced apoptosis and inflammation. Conversely, genistein increases the radiosensitivity of tumor cells through specific mechanisms such as the inhibition of DNA repair, the arrest of the cell cycle in the G₂/M phase, the generation of reactive oxygen species (ROS), and the modulation of apoptosis. These effects increase the cytotoxicity of radiation. Preclinical studies demonstrated genistein efficacy in various cancer models, such as breast, prostate, and lung cancer. Despite limited clinical studies, the existing evidence supports the potential of genistein in improving the therapeutic effect of radiotherapy. Future research should focus on dosage optimization and administration, the exploration of combination therapies, and long-term clinical trials to establish genistein benefits in clinical settings. Hence, the unique ability of genistein to improve the radiosensitivity of tumor cells while protecting normal cells could be a promising strategy to improve the efficacy and safety of radiotherapy. Full article

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25 pages, 6666 KiB

Open AccessArticle

Pt@ZnCo₂O₄ Microspheres as Peroxidase Mimics: Enhanced Catalytic Activity and Application for L-Cysteine Detection

by Shuqi Liao, Weisen Deng, Feng Yang, Jutao Zhou, Ling Wu, Donghong Yu and Zhong Cao

Molecules 2025, 30(1), 187; https://doi.org/10.3390/molecules30010187 - 5 Jan 2025

Viewed by 758

Abstract

Compared to natural enzymes, the development of efficient artificial simulated enzymes, such as those based on bimetallic materials with high catalytic activity and good stability, is an important way until now. Herein, we employed ZnCo₂O₄ microspheres as carriers to synthesize [...] Read more.

Compared to natural enzymes, the development of efficient artificial simulated enzymes, such as those based on bimetallic materials with high catalytic activity and good stability, is an important way until now. Herein, we employed ZnCo₂O₄ microspheres as carriers to synthesize Pt-doped composites with different amounts using a one-pot method. The morphology and structure of the synthesized materials were characterized using XRD, SEM, BET, FT-IR, XPS, and Zeta potential techniques. It was found that Pt⁰ adhered well to the surface of ZnCo₂O₄ microspheres, with a 12.5% Pt doped ratio exhibiting abundant oxygen vacancies, excellent substrate affinity, and high peroxidase-like activity. Using fluorescent probes and electrochemical methods, the peroxidase-like catalytic mechanism has been explored that Pt@ZnCo₂O₄ microspheres can accelerate the electron transfer between H₂O₂ and 3,3′,5,5′-tetramethylbenzidine (TMB). Based on the optimal loading ratio of 12.5% of Pt@ZnCo₂O₄, a colorimetric sensor for visual detection of L-cysteine (L-Cys) was constructed, exhibiting a wide linear range of 0.1~50 µM and a low detection limit of 0.0163 µM. The sensor possesses good selectivity, reusability, and usage stability, which can be well applied to the determination of L-Cys in health product capsules with recovery rates of 96.9%~103.7% and RSD of 1.07%~6.50%. This work broadens the application prospects of spinel materials such as ZnCo₂O₄ in the field of biological analysis and also provides inspiration for the development of new artificial simulated enzymes. Full article

(This article belongs to the Special Issue Enhanced Bioapplications of Biomolecules Mediated by Nanomaterials)

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14 pages, 3716 KiB

Open AccessArticle

Novel Inhibitors for MDM2-MDM4 E3 Ligase Potently Induce p53-Indepedent Apoptosis in Drug-Resistant Leukemic Cells

by Rati Lama, Joseph M. Fose, Diana Martín, Inés G. Muñoz, Eunice S. Wang, Pamela J. Sung, Sherry R. Chemler and Xinjiang Wang

Molecules 2025, 30(1), 186; https://doi.org/10.3390/molecules30010186 - 5 Jan 2025

Viewed by 818

Abstract

MDM2 and MDM4 are major negative regulators of tumor suppressor p53. Beyond regulating p53, MDM2 possesses p53-independent activity in promoting cell cycle progression and tumorigenesis via its RING domain ubiquitin E3 ligase activity. MDM2 and MDM4 form heterodimer polyubiquitin E3 ligases via their [...] Read more.

MDM2 and MDM4 are major negative regulators of tumor suppressor p53. Beyond regulating p53, MDM2 possesses p53-independent activity in promoting cell cycle progression and tumorigenesis via its RING domain ubiquitin E3 ligase activity. MDM2 and MDM4 form heterodimer polyubiquitin E3 ligases via their RING domain interaction. Inhibitors disrupting p53 interaction with MDM2/MDM4 are in clinical trials in patients bearing wild-type p53 cancers. However, these inhibitors are not designed to work for p53-null/mutant cancer cells. Owing to the importance of the E3 ligase of MDM2 in its p53-independent oncogenic activity, inhibitors targeting the E3 ligase activity of MDM2-MDM4 are desirable for p53-mutant cancer cells. Here, we report the development of such inhibitors with pro-apoptotic activity in p53-null leukemic cells. Among analogues of MDM2-MDM4 E3 ligase inhibitors, we initially identified MMRi36 as a potent pro-apoptotic compound in p53-null leukemic cells with acquired drug resistance. MMRi36 acts as an activator of MDM2-MDM4 E3 ligase by stabilizing MDM2-MDM4 heterodimers and promotes MDM2/MDM4 degradation in cells. Interestingly, replacement of the sulfur in 1,3,4-thiadiazole MMRi36 with a carbon led to identification of pyrazole MMRi36C that dissociates the MDM2-MDM4 RING heterodimers, inhibits the E3 ligase activity of the complex, and induces p53 protein accumulation, but retains the p53-independent pro-apoptotic activity. A brief SAR study identified a fluorine derivative of MMRi36C with improved pro-apoptotic activity. This study discovered a novel class of compound that targets MDM2-MDM4 ubiquitin E3 ligase activity for apoptosis induction in p53-mutant cancer cells. Full article

(This article belongs to the Special Issue Small-Molecule Inhibitors: Synthesis, Cytotoxicity and Biological Activities)

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14 pages, 1855 KiB

Open AccessArticle

Synthesis of 2-Deoxyglycosides with Exclusive β-Configuration Using 2-SAc Glycosyl Bromide Donors

by Yang-Fan Guo, Tian-Tian Xu, Guo-Hui Zhang and Hai Dong

Molecules 2025, 30(1), 185; https://doi.org/10.3390/molecules30010185 - 5 Jan 2025

Viewed by 560

Abstract

In this study, we developed an indirect method for the synthesis of 2-deoxyglycosides with an exclusive β-configuration using glucosyl and galactosyl bromide donors with 2-thioacetyl (SAc) groups. The 2-SAc glucosyl and galactosyl bromide donors were easily obtained through the treatment of 1-OAc, 2-SAc [...] Read more.

In this study, we developed an indirect method for the synthesis of 2-deoxyglycosides with an exclusive β-configuration using glucosyl and galactosyl bromide donors with 2-thioacetyl (SAc) groups. The 2-SAc glucosyl and galactosyl bromide donors were easily obtained through the treatment of 1-OAc, 2-SAc glucose and galactose with HBr-CH₃COOH solution, respectively. The glycosylation of such donors with acceptors under an improved Koenigs–Knorr condition resulted in glycosylation products with an exclusive β-configuration in excellent yields. The synthetic approach of 2-SAc glycosyl donors using glycals as the starting materials was also investigated. Based on these studies, the synthetic method of using 2-deoxyglycosides with an exclusive β-configuration through desulfurization will have more practical applications. Full article

(This article belongs to the Special Issue 10th Anniversary of the Bioorganic Chemistry Section of Molecules)

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14 pages, 4482 KiB

Open AccessArticle

Novel Electrochemiluminescence Sensor for Dopamine Detection Based on Perylene Diimide/CuO Nanomaterials

by Qirong Tian, Xinyang Sun, Chuan Li, Lei Shang, Rongna Ma, Xiaojian Li, Liping Jia, Shuijian He, Qian Zhang, Wei Zhang and Huaisheng Wang

Molecules 2025, 30(1), 184; https://doi.org/10.3390/molecules30010184 - 5 Jan 2025

Viewed by 630

Abstract

Dopamine (DA) is an important catecholamine neurotransmitter and its abnormal concentration is closely related to diseases such as hypertension, Parkinson’s disease and schizophrenia. Due to the advantages of high sensitivity and fast response for electrochemiluminescence (ECL), developing ECL sensors for detecting DA was [...] Read more.

Dopamine (DA) is an important catecholamine neurotransmitter and its abnormal concentration is closely related to diseases such as hypertension, Parkinson’s disease and schizophrenia. Due to the advantages of high sensitivity and fast response for electrochemiluminescence (ECL), developing ECL sensors for detecting DA was very critical in clinical diagnosis. ECL resonance energy transfer (ECL-RET) was an effective signaling mechanism. However, the shortage of highly efficient ECL-RET pairs impeded the development of DA sensors. Herein, methyl-modified perylene diimide derivative (PDI-CH₃) self-assembly nanorod materials as luminophores and CuO nanomaterials as acceptors were integrated into nanocomposites. An obvious ECL-RET was found in PDI-CH₃/CuO nanocomposites. After PDI-CH₃/CuO nanocomposites were treated with DA, a large increase in ECL intensity was observed. Then, PDI-CH₃/CuO nanocomposites were taken as an ECL platform to detect DA. This ECL sensor exhibited a linear response to DA from 10⁻¹² M to 10⁻⁸ M with a limit of detection of 0.20 pM. Compared with other sensors for DA detection, the constructed ECL sensor exhibited higher sensitivity. In addition, the novel ECL sensor in this work showed good practicability in a human serum sample. Full article

(This article belongs to the Topic Advanced Nanomaterials and Technologies for Sustainable Development)

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14 pages, 1275 KiB

Open AccessArticle

Synthesis of CF₃-Indazoles via Rh(III)-Catalyzed C-H [4+1] Annulation of Azobenzenes with CF₃-Imidoyl Sulfoxonium Ylides

by Yilong Shang, Chen Li, Guiqiu Wang, Guiwei Yao, Hongliang Wu, Xun Chen and Ruirui Zhai

Molecules 2025, 30(1), 183; https://doi.org/10.3390/molecules30010183 - 5 Jan 2025

Viewed by 512

Abstract

An efficient Rh(III)-catalyzed C-H activation of azobenzenes and subsequent [4+1] cascade annulation with CF₃-imidoyl sulfoxonium ylides was developed, yielding diverse CF₃-indazoles. This protocol featured easily available starting materials, excellent functional group tolerance and high efficiency. Moreover, the antitumor activities [...] Read more.

An efficient Rh(III)-catalyzed C-H activation of azobenzenes and subsequent [4+1] cascade annulation with CF₃-imidoyl sulfoxonium ylides was developed, yielding diverse CF₃-indazoles. This protocol featured easily available starting materials, excellent functional group tolerance and high efficiency. Moreover, the antitumor activities of selected CF₃-indazoles against human cancer cell lines were also studied, and the results indicated that several compounds displayed considerable antiproliferative activities. Full article

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22 pages, 9954 KiB

Open AccessReview

Recent Advances of Electrode Materials Applied in an Electrochromic Supercapacitor Device

by Qingfu Guo, Chao Sun, Yiran Li, Kaoxue Li and Xishi Tai

Molecules 2025, 30(1), 182; https://doi.org/10.3390/molecules30010182 - 5 Jan 2025

Viewed by 735

Abstract

An electrochromic supercapacitor device (ESD) is an advanced energy storage device that combines the energy storage capability of a supercapacitor with the optical modulation properties of electrochromic materials. The electrode materials used to construct an ESD need to have both rich color variations [...] Read more.

An electrochromic supercapacitor device (ESD) is an advanced energy storage device that combines the energy storage capability of a supercapacitor with the optical modulation properties of electrochromic materials. The electrode materials used to construct an ESD need to have both rich color variations and energy storage properties. Recent advances in ESDs have focused on the preparation of novel electrochromic supercapacitor electrode materials and improving their energy storage capacity, cycling stability, and electrochromic performance. In this review, the research significance and application value of ESDs are discussed. The device structure and working principle of electrochromic devices and supercapacitors are analyzed in detail. The research progress of inorganic materials, organic materials, and inorganic/organic nanocomposite materials used for the construction of ESDs is discussed. The advantages and disadvantages of various types of materials in ESD applications are summarized. The preparation and application of ESD electrode materials in recent years are reviewed in detail. Importantly, the challenges existing in the current research and recommendations for future perspectives are suggested. This review will provide a useful reference for researchers in the field of ESD electrode material preparation and application. Full article

(This article belongs to the Special Issue Energy Storage Materials: Synthesis and Application)

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15 pages, 774 KiB

Open AccessArticle

Preliminary Data of the Nutritive, Antioxidative, and Functional Properties of Watermelon (Citrullus lanatus L.) Flour and Seed Protein Concentrate

by Agata Hahn, Justyna Liszka, Julia Maksym, Agnieszka Nemś and Joanna Miedzianka

Molecules 2025, 30(1), 181; https://doi.org/10.3390/molecules30010181 - 5 Jan 2025

Viewed by 594

Abstract

The growing interest in a plant-based diet leads to the search for new sources of protein in the human diet as an alternative to animal proteins. Plant materials that can supplement protein as additives in food products are being studied. Watermelon seeds ( [...] Read more.

The growing interest in a plant-based diet leads to the search for new sources of protein in the human diet as an alternative to animal proteins. Plant materials that can supplement protein as additives in food products are being studied. Watermelon seeds (Citrillus lanatus L.) are rich in proteins and waste from the food industry; however, their extraction is not completely cost-free, and the flour production process may involve additional costs related to their extraction and processing. The studies showed that watermelon seed protein concentrate, obtained using the alkaline extraction method, contained 82.52 g/100 g of protein and 1.51 g/100 g of fat. The polyphenol content in the protein preparation from defatted watermelon seeds was 1.9 mg gallic acid/g, and the antioxidant activity of the concentrate was 29.26 µmol Trolox/g (by the ABTS+). The obtained watermelon seed protein concentrate was characterised by solubility of more than 80% (at pH = 10), water absorption at the level of 2.46 (g water/g) and oil absorption equal to 2.1 (ml oil/g), showed poor foaming properties (1.51%), and was characterised by low emulsification. Full article

(This article belongs to the Special Issue Determination and Identification of Chemical Compounds in Foods)

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13 pages, 4141 KiB

Open AccessArticle

Electrochemical Sensor Based on Co-MOF for the Detection of Dihydromyricetin in Ampelopsis grossedentata

by Xiaojing Si, Yue Huang, Mei Han and Liqiang Luo

Molecules 2025, 30(1), 180; https://doi.org/10.3390/molecules30010180 - 5 Jan 2025

Viewed by 561

Abstract

Dihydromyricetin (DMY), as the main active ingredient in Ampelopsis grossedentata, is a naturally occurring flavonoid that has attracted extensive attention for its multiple biological activities. For the quick and accurate measurement of DMY, a novel electrochemical sensor based on a glassy carbon [...] Read more.

Dihydromyricetin (DMY), as the main active ingredient in Ampelopsis grossedentata, is a naturally occurring flavonoid that has attracted extensive attention for its multiple biological activities. For the quick and accurate measurement of DMY, a novel electrochemical sensor based on a glassy carbon electrode (GCE) modified with a cobalt metal-organic framework (Co-MOF) was proposed in this work. The Co-MOF was synthesized via a single-step hydrothermal process using Co(NO₃)₂·6H₂O. Fourier infrared spectroscopy, X-ray photoelectron spectroscopy and scanning electron microscopy were used to study the morphology and structure of the synthesized Co-MOF. Utilizing differential pulse voltammetry and cyclic voltammetry methods, the effectiveness of DMY electro-oxidation on the Co-MOF/GCE was examined. The results showed that, in comparison to the bare GCE, the electro-oxidation peak current of DMY was considerably increased by the Co-MOF/GCE. The detection limit was 0.07 μM, and the peak current demonstrated two linear relationships in the ranges of 0.2−20 μM and 20−100 μM, with the linear equations of Ip (μA) = 0.4729c (μM) + 1.0822 (R² = 0.9913) and Ip (μA) = 0.0939c (μM) + 8.4178 (R² = 0.9971), respectively. The average DMY content in Ampelopsis grossedentata samples was measured to be 3.275 μM, with a good recovery of 108.27% and a relative standard deviation value of 3.46%. The proposed method is simple, rapid and sensitive and can be used for the determination of DMY in Ampelopsis grossedentata. Full article

(This article belongs to the Special Issue Applied Chemistry in Asia)

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46 pages, 13682 KiB

Open AccessReview

Recent Advances in the Tunable Optoelectromagnetic Properties of PEDOTs

by Ling Zhu, Qi Liu, Yuqian Zhang, Hui Sun, Shuai Chen, Lishan Liang, Siying An, Xiaomei Yang and Ling Zang

Molecules 2025, 30(1), 179; https://doi.org/10.3390/molecules30010179 - 4 Jan 2025

Viewed by 1296

Abstract

Conducting polymers represent a crucial class of functional materials with widespread applications in diverse fields. Among these, poly(3,4-ethylenedioxythiophene) (PEDOT) and its derivatives have garnered significant attention due to their distinctive optical, electronic, and magnetic properties, as well as their exceptional tunability. These properties [...] Read more.

Conducting polymers represent a crucial class of functional materials with widespread applications in diverse fields. Among these, poly(3,4-ethylenedioxythiophene) (PEDOT) and its derivatives have garnered significant attention due to their distinctive optical, electronic, and magnetic properties, as well as their exceptional tunability. These properties often exhibit intricate interdependencies, manifesting as synergistic, concomitant, or antagonistic relationships. In optics, PEDOTs are renowned for their high transparency and unique photoelectric responses. From an electrical perspective, they display exceptional conductivity, thermoelectric, and piezoelectric performance, along with notable electrochemical activity and stability, enabling a wide array of electronic applications. In terms of magnetic properties, PEDOTs demonstrate outstanding electromagnetic shielding efficiency and microwave absorption capabilities. Moreover, these properties can be precisely tailored through molecular structure modifications, chemical doping, and composite formation to suit various application requirements. This review systematically examines the mechanisms underlying the optoelectromagnetic properties of PEDOTs, highlights their tunability, and outlines prospective research directions. By providing critical theoretical insights and technical references, this review aims to advance the application landscape of PEDOTs. Full article

(This article belongs to the Special Issue Developments in Conducting Polymers: Applications for Electrochemistry)

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22 pages, 4991 KiB

Open AccessArticle

Sustainable and Eco-Friendly Single- and Multilayer Polyester Foils (Laminates) from Polylactide and Poly(Ethylene 2,5-Furandicarboxylate)

by Sandra Paszkiewicz, Izabela Irska, Konrad Walkowiak, Filip Włodarczyk, Magdalena Zdanowicz, Elżbieta Piesowicz and Mateusz Barczewski

Molecules 2025, 30(1), 178; https://doi.org/10.3390/molecules30010178 - 4 Jan 2025

Viewed by 1218

Abstract

Packaging materials mainly serve the function of protecting products. The most common representative of this group is poly(ethylene terephthalate) (PET), which is not biodegradable and therefore, its waste might be burdensome to the environment. Thus, this work aims to develop outlines for obtaining [...] Read more.

Packaging materials mainly serve the function of protecting products. The most common representative of this group is poly(ethylene terephthalate) (PET), which is not biodegradable and therefore, its waste might be burdensome to the environment. Thus, this work aims to develop outlines for obtaining polyester-based systems, preferably biobased ones, intended for the packaging industry and their detailed characterization. The obtained multilayer systems based on two biobased thermoplastic polyesters, i.e., poly(ethylene 2,5-furandicarboxylate) (PEF) and the “double green” polylactide (PLA), were subjected to various analyses, i.e., UV-Vis spectrophotometry, microscopic evaluation, tensile tests, differential scanning calorimetry (DSC), oxygen transmission rate (OTR), water absorption tests, surface analyses, and biofilm formation. The best possible arrangement was selected in terms of the packaging industry. It was proven that the elastic modulus was significantly higher for multilayer systems, whilst higher-strength parameters were observed for PLA single foils. Regardless of thickness, PLA and PEF foils exhibit similar absorption values in cold water. Moreover, PEF foils demonstrated significantly better barrier properties towards oxygen gas compared to PLA foils of the same thickness. However, a multilayer system composed of two PLA foils with a single inner PEF foil had an OTR value only slightly higher than that of the PEF foil alone. PEF was also found to be a material that exhibited a limited formation of bacterial biofilm, particularly strains of S. aureus and E. coli. All of the above findings clearly confirm the sensibility of the research topic undertaken in this work on the application of biobased thermoplastic polyesters in the packaging industry. Full article

(This article belongs to the Special Issue Exclusive Papers of Editorial Board Members and Invited Scholars in “Materials Chemistry”)

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14 pages, 2978 KiB

Open AccessCommunication

In Situ Synthesis of Ternary Ni-Fe-Mo Nanosheet Arrays for OER in Water Electrolysis

by Zhi Lu, Yifan Guo, Shilin Li, Jiaqi Ding, Yingzi Ren, Kun Tang, Jiefeng Wang, Chengxin Li, Zishuo Shi, Ziqi Sun, Hongbo Meng and Guangxin Wang

Molecules 2025, 30(1), 177; https://doi.org/10.3390/molecules30010177 - 4 Jan 2025

Viewed by 738

Abstract

Water electrolysis is a promising path to the industrialization development of hydrogen energy. The exploitation of high-efficiency and inexpensive catalysts become important to the mass use of water decomposition. Ni-based nanomaterials have exhibited great potential for the catalysis of water splitting, which have [...] Read more.

Water electrolysis is a promising path to the industrialization development of hydrogen energy. The exploitation of high-efficiency and inexpensive catalysts become important to the mass use of water decomposition. Ni-based nanomaterials have exhibited great potential for the catalysis of water splitting, which have attracted the attention of researchers around the world. Here, we prepared a novel Mo-doped NiFe-based layered double hydroxide (LDH) with a nanoarray microstructure on Ni foam. The doping amount of Mo can significantly change the microstructure of the electrocatalysis, which will further affect the oxygen evolution reaction (OER) performance of water splitting. This novel nanomaterial required only an overpotential of 227 mV for 10 mA cm⁻² and a Tafel slope of 54.8 mV/dec in 1 M KOH. Meanwhile, there was no Mo, and the NiFe-LDH needed 233 mV to attain to 10 mA cm⁻². Compared to the NiFe-LDH without Mo, the NiFeMo-LDH nanosheet arrays exhibited enhanced activities with 17.1 mV/dec less Tafel in OER. The good performance of the electrocatalyst is ascribed to the special nanosheet arrays and the heterostructure of the Ni-Fe-Mo system. These features help to increase the active surface, enhancing the efficient charge transfer and the reactive activity in OER. Full article

(This article belongs to the Topic Fabrication of Hybrid Materials for Catalysis)

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15 pages, 3166 KiB

Open AccessArticle

Rare-Earth Pretreatment Improves Performance of Reactive Dye Argazol Navy Blue on Banana-Fiber Fabric

by Ao Du, Yongjie Zheng, Wenqi Jiang and Jie Liu

Molecules 2025, 30(1), 176; https://doi.org/10.3390/molecules30010176 - 4 Jan 2025

Viewed by 554

Abstract

At present, the use of conventional reactive dyes on banana-fiber fabric leads to the problem of excessive salt consumption, which is not conducive to environmental protection. In this experimental study, rare-earth-pretreated banana-fiber fabric was dyed with the reactive dye Argazol Navy Blue. The [...] Read more.

At present, the use of conventional reactive dyes on banana-fiber fabric leads to the problem of excessive salt consumption, which is not conducive to environmental protection. In this experimental study, rare-earth-pretreated banana-fiber fabric was dyed with the reactive dye Argazol Navy Blue. The rare-earth pretreatment was carried out to reduce the level of salt consumption, improve dyeing and fixation rates, and reduce the treatment burden of printing and dyeing wastewater. Dye uptake and fixation rates were used as indicators. Single-change factors were assessed by analyzing different amounts of rare earth, sodium carbonate, and sodium chloride, as well as different fixation times and temperatures, so that the effects of the dye additive on the dyed banana-fiber fabric could be investigated. After appropriate ranges were determined for single-change factors, an orthogonal experiment was carried out to establish optimal parameters for the process of dyeing rare-earth-pretreated banana-fiber fabric with Argazol Navy Blue. These parameters were as follows: the required amount of rare earth was 0.40% (o.w.f.); the amount of dye was 2% (o.w.f.); the amount of sodium chloride was 15 g/L; the amount of sodium carbonate was 9 g/L; the fixing temperature was 75 °C; and the fixing time was 45 min. These optimized process parameters were then used to dye the banana-fiber fabric as a whole. Our results showed that the dye uptake and fixation rates for rare-earth-pretreated banana-fiber fabric dyed with navy-blue dye reached 56.85% and 45.32%, respectively. Finally, the effect of rare-earth pretreatment on dyeing performance was analyzed using FT-IR, SEM, and EDS. Full article

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26 pages, 5179 KiB

Open AccessArticle

Thermally Induced Phenomena in Amorphous Nifedipine: The Correlation Between the Structural Relaxation and Crystal Growth Kinetics

by Roman Svoboda

Molecules 2025, 30(1), 175; https://doi.org/10.3390/molecules30010175 - 4 Jan 2025

Viewed by 663

Abstract

The particle size-dependent processes of structural relaxation and crystal growth in amorphous nifedipine were studied by means of non-isothermal differential scanning calorimetry (DSC) and Raman microscopy. The enthalpy relaxation was described in terms of the Tool–Narayanaswamy–Moynihan model, with the relaxation motions exhibiting the [...] Read more.

The particle size-dependent processes of structural relaxation and crystal growth in amorphous nifedipine were studied by means of non-isothermal differential scanning calorimetry (DSC) and Raman microscopy. The enthalpy relaxation was described in terms of the Tool–Narayanaswamy–Moynihan model, with the relaxation motions exhibiting the activation energy of 279 kJ·mol⁻¹ for the temperature shift, but with a significantly higher value of ~500 kJ·mol⁻¹ being obtained for the rapid transition from the glassy to the undercooled liquid state (the latter is in agreement with the activation energy of the viscous flow). This may suggest different types of relaxation kinetics manifesting during slow and rapid heating, with only a certain portion of the relaxation motions occurring that are dependent on the parameters of a given temperature range and time frame. The DSC-recorded crystallization was found to be complex, consisting of four sub-processes: primary crystal growth of α_p and β_p polymorphs, enantiotropic β_p → β_p′ transformation, and β_p/β_p′ → α_p recrystallization. Overall, nifedipine was found to be prone to the rapid glass-crystal growth that occurs below the glass transition temperature; a tendency of low-temperature degradation of the amorphous phase markedly increased with decreasing particle size (the main reason being the increased number of surface and bulk micro-cracks and mechanically induced defects). The activation energies of the DSC-monitored crystallization processes varied in the 100–125 kJ·mol⁻¹ range, which is in agreement with the microscopically measured activation energies of crystal growth. Considering the potential correlations between the structural relaxation and crystal growth processes interpreted within the Transition Zone Theory, a certain threshold in the complexity and magnitude of the cooperating regions (as determined from the structural relaxation) may exist, which can lead to a slow-down of the crystal growth if exceeded. Full article

(This article belongs to the Special Issue Exclusive Feature Papers in Physical Chemistry, 2nd Edition)

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41 pages, 2443 KiB

Open AccessReview

Phenolic Compounds and Anthocyanins in Legumes and Their Impact on Inflammation, Oxidative Stress, and Metabolism: Comprehensive Review

by Rocio Guadalupe Hernández-Ruiz, Xochitl Citalli Olivares-Ochoa, Yahatziri Salinas-Varela, David Guajardo-Espinoza, Luis Gustavo Roldán-Flores, Edgar Alfonso Rivera-Leon and Andres López-Quintero

Molecules 2025, 30(1), 174; https://doi.org/10.3390/molecules30010174 - 4 Jan 2025

Viewed by 914

Abstract

Inflammation, oxidative stress, and metabolic diseases are intricately linked in a complex, self-reinforcing relationship. Inflammation can induce oxidative stress, while oxidative stress can trigger inflammatory responses, creating a cycle that contributes to the development and progression of metabolic disorders; in addition, these effects [...] Read more.

Inflammation, oxidative stress, and metabolic diseases are intricately linked in a complex, self-reinforcing relationship. Inflammation can induce oxidative stress, while oxidative stress can trigger inflammatory responses, creating a cycle that contributes to the development and progression of metabolic disorders; in addition, these effects can be observed at systemic and local scales. Both processes lead to cellular damage, mitochondrial dysfunction, and insulin resistance, particularly affecting adipose tissue, the liver, muscles, and the gastrointestinal tract. This results in impaired metabolic function and energy production, contributing to conditions such as type 2 diabetes, obesity, and metabolic syndrome. Legumes are a good source of phenolic compounds and anthocyanins that exert an antioxidant effect—they directly neutralize reactive oxygen species and free radicals, reducing oxidative stress. In vivo, in vitro, and clinical trial studies demonstrate that these compounds can modulate key cellular signaling pathways involved in inflammation and metabolism, improving insulin sensitivity and regulating lipid and glucose metabolism. They also exert anti-inflammatory effects by inhibiting proinflammatory enzymes and cytokines. Additionally, anthocyanins and phenolics may positively influence the gut microbiome, indirectly affecting metabolism and inflammation. Full article

(This article belongs to the Special Issue Bioactivity of Natural Compounds: From Plants to Humans)

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34 pages, 17958 KiB

Open AccessArticle

Exploring the Potential of Malvidin and Echiodinin as Probable Antileishmanial Agents Through In Silico Analysis and In Vitro Efficacy

by Luis Daniel Goyzueta-Mamani, Daniela Pagliara Lage, Haruna Luz Barazorda-Ccahuana, Margot Paco-Chipana, Mayron Antonio Candia-Puma, Gonzalo Davila-Del-Carpio, Alexsandro Sobreira Galdino, Ricardo Andrez Machado-de-Avila, Rodolfo Cordeiro Giunchetti, Edward L. D’Antonio, Eduardo Antonio Ferraz Coelho and Miguel Angel Chávez-Fumagalli

Molecules 2025, 30(1), 173; https://doi.org/10.3390/molecules30010173 - 4 Jan 2025

Viewed by 863

Abstract

Leishmaniasis, a neglected tropical disease caused by Leishmania species, presents serious public health challenges due to limited treatment options, toxicity, high costs, and drug resistance. In this study, the in vitro potential of malvidin and echioidinin is examined as antileishmanial agents against L. [...] Read more.

Leishmaniasis, a neglected tropical disease caused by Leishmania species, presents serious public health challenges due to limited treatment options, toxicity, high costs, and drug resistance. In this study, the in vitro potential of malvidin and echioidinin is examined as antileishmanial agents against L. amazonensis, L. braziliensis, and L. infantum, comparing their effects to amphotericin B (AmpB), a standard drug. Malvidin demonstrated greater potency than echioidinin across all parasite stages and species. Against L. amazonensis, malvidin’s IC₅₀ values were 197.71 ± 17.20 µM (stationary amastigotes) and 258.07 ± 17 µM (axenic amastigotes), compared to echioidinin’s 272.99 ± 29.90 μM and 335.96 ± 19.35 μM. AmpB was more potent, with IC₅₀ values of 0.06 ± 0.01 µM and 0.10 ± 0.03 µM. Malvidin exhibited lower cytotoxicity (CC₅₀: 2920.31 ± 80.29 µM) than AmpB (1.06 ± 0.12 µM) and a favorable selectivity index. It reduced infection rates by 35.75% in L. amazonensis-infected macrophages. The in silico analysis revealed strong binding between malvidin and Leishmania arginase, with the residues HIS139 and PRO258 playing key roles. Gene expression analysis indicated malvidin’s modulation of oxidative stress and DNA repair pathways, involving genes like GLO1 and APEX1. These findings suggest malvidin’s potential as a safe, natural antileishmanial compound, warranting further in vivo studies to confirm its therapeutic efficacy and pharmacokinetics in animal models. Full article

(This article belongs to the Special Issue Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics, 3rd Edition)

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Molecules, Volume 30, Issue 1 (January-1 2025) – 202 articles

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