Molecules

14 pages, 6651 KiB

Open AccessArticle

Sensitivity Enhancement of Thermometry in Tb³⁺-Doped KY(CO₃)₂:Sm³⁺ by Energy Transfer

by Shijian Sun, Jian Qian, Zheng Li, Lei Huang and Dechuan Li

Molecules 2025, 30(4), 767; https://doi.org/10.3390/molecules30040767 (registering DOI) - 7 Feb 2025

Sm³⁺ and Tb³⁺ co-doped KY(CO₃)₂ temperature sensing materials were prepared via the hydrothermal method. X-ray diffraction results confirmed the monoclinic phase in KY(CO₃)₂:Sm³⁺,Tb³⁺ samples. In this KY(CO₃)₂ host, [...] Read more.

Sm³⁺ and Tb³⁺ co-doped KY(CO₃)₂ temperature sensing materials were prepared via the hydrothermal method. X-ray diffraction results confirmed the monoclinic phase in KY(CO₃)₂:Sm³⁺,Tb³⁺ samples. In this KY(CO₃)₂ host, Tb³⁺ transfers energy to Sm³⁺ through cross-relaxation. Notably, a 20 mol% concentration of Tb³⁺ increases the emission intensity of Sm³⁺ by 7.1 times. The fluorescence emission intensities of ⁵D₄ (Tb³⁺) and ⁴G_5/2 (Sm³⁺) vary significantly with temperature. Both Sm³⁺-Sm³⁺ and Tb³⁺-Sm³⁺ pairs act as effective emission centers in KY(CO₃)₂:Sm³⁺,Tb³⁺ for optical temperature measurement. The relationship between fluorescence intensity ratio (I₅₄₂/I₅₆₇) and temperature reveals that the maximum absolute sensitivity and relative sensitivity of KY(CO₃)₂:Sm³⁺,Tb³⁺ are 0.031 K⁻¹ and 0.46%K⁻¹ at room temperature of 298 K, respectively. In contrast, KY(CO₃)₂:Sm³⁺ has a maximum absolute sensitivity of only 0.00051 K⁻¹ and a relative sensitivity of 0.11%K⁻¹ at 498 K. These results highlight the significant role of Tb³⁺ in enhancing Sm³⁺ emission intensities, making Tb³⁺ doped KY(CO₃)₂:Sm³⁺ a promising candidate for thermometry. Full article

(This article belongs to the Special Issue Synthesis and Crystal Structure of Rare-Earth Metal Compounds)

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23 pages, 4059 KiB

Open AccessArticle

Impact of Trophic Mode-Driven Chlorella Biomass on Vegan Food Emulsions: Exploring Structure and Functionality

by Sheyma Khemiri, Albano Joel Santos and Anabela Raymundo

Molecules 2025, 30(4), 766; https://doi.org/10.3390/molecules30040766 (registering DOI) - 7 Feb 2025

Abstract

Aligning with sustainable green practices, this study examines the partial replacement of chickpea protein isolate with commercially available autotrophic Chlorella vulgaris (Auto-Chlorella) and heterotrophic Parachlorella kessleri (Hetero-Chlorella) to assess impacts on food emulsions’ properties and potential functional value. Rheology [...] Read more.

Aligning with sustainable green practices, this study examines the partial replacement of chickpea protein isolate with commercially available autotrophic Chlorella vulgaris (Auto-Chlorella) and heterotrophic Parachlorella kessleri (Hetero-Chlorella) to assess impacts on food emulsions’ properties and potential functional value. Rheology and texture analysis show that Chlorella biocompounds enhance emulsions by creating a synergistic network with chickpea proteins. The type of Chlorella used significantly influences emulsion characteristics due to differences in culture and processing conditions. Hetero-Chlorella contributed to more structured emulsions, revealed by higher values of the viscoelastic functions (G′, G″, and G⁰_N), indicating a complex three-dimensional network (p < 0.05), while Auto-Chlorella excelled in augmenting dietary elements (p < 0.05), leading to emulsions rich in antioxidants and allowing for a ’rich in iron’ claim. Both types contribute to smaller oil droplet size, improved firmness, adhesiveness, and appealing coloration (p < 0.05). Preliminary findings on Vitamin B12 content suggest promising bioavailability potential. However, the nutritional density of Chlorella emphasizes the need for careful microbiological stability. Produced on a lab scale without preservatives, these emulsions highlight the need for preservation strategies in large-scale production. This research supports the potential for industrial microalgae-based mayonnaise, addressing consumer demand for innovation while prioritizing safety. Full article

(This article belongs to the Special Issue Current Emerging Trends of Extraction and Encapsulation in Food)

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14 pages, 7563 KiB

Open AccessArticle

Study on the Properties of Ag-Nb₂AlC Composite as an Electric Contact Material

by Xiaochen Huang, Hongdi Zhang, Dazhang Wang and Zijue Zhou

Molecules 2025, 30(4), 765; https://doi.org/10.3390/molecules30040765 (registering DOI) - 7 Feb 2025

Abstract

Ag-Nb₂AlC composite materials with a Nb₂AlC volume percentage ranging from 10% to 40% were prepared using the spark plasma sintering method. The composite with 10% Nb₂AlC achieved a high density of 99.2%. The microhardness exhibited a peak [...] Read more.

Ag-Nb₂AlC composite materials with a Nb₂AlC volume percentage ranging from 10% to 40% were prepared using the spark plasma sintering method. The composite with 10% Nb₂AlC achieved a high density of 99.2%. The microhardness exhibited a peak value of 84.8 HV at a Nb₂AlC content of 30%. The conductivity of the composite material decreases linearly with an increase in Nb₂AlC content, ranging from 0.134 MS·cm⁻¹ to 0.086 MS·cm⁻¹. A three-dimensional laser scanning microscope was employed to characterize the morphology following arc erosion, and the erosion area was subsequently measured. Results indicated that arc erosion was concentrated on the Ag-20 vol.% Nb₂AlC composite material, resulting in a smaller circular erosion area. As Nb₂AlC content increased to 30% and 40%, the arc shifted, leading to an expansion of the erosion area. Notably, the Ag-30 vol.% Nb₂AlC composite material exhibited the highest arc energy (3.401 kJ). The eroded surface displayed spattered particles and a convex morphology. Additionally, EDS and Raman spectroscopic analyses revealed the formation of Nb₂O₅, Ag₂O, and Al₂O₃ on the surface. The arc erosion mechanism was analyzed from an electrical perspective, indicating that the formation of the arc is attributed to the development of a positive streamer and air breakdown within a strongly nonuniform field. Consequently, the surface atoms of Ag-Nb₂AlC absorb energy, leading to the formation of metal ions that combine with the ionized air to create oxides. This research lays a theoretical foundation for the application of silver-based electrical contact materials. Full article

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18 pages, 3939 KiB

Open AccessArticle

Influence of Neutralization Precipitation Conditions on the Physical Stability of Amorphous Solid Pharmaceuticals

by Zhihui Yuan, Xu Liao, Bowen Zhang, Asad Nawaz and Zunhua Li

Molecules 2025, 30(4), 764; https://doi.org/10.3390/molecules30040764 (registering DOI) - 7 Feb 2025

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Abstract

This research focused on the precipitation of amorphous forms of nilotinib with high physical stability through the manipulation of various parameters in the neutralization reaction, specifically the quantity of nilotinib, the pH value, and the concentration of HCl. To assess the physical stability [...] Read more.

This research focused on the precipitation of amorphous forms of nilotinib with high physical stability through the manipulation of various parameters in the neutralization reaction, specifically the quantity of nilotinib, the pH value, and the concentration of HCl. To assess the physical stability of the amorphous nilotinib, various characterization techniques, including PXRD, DSC, and FBRM, were utilized in conjunction with analytical methods such as PDF, PCA, and R_c value. The findings demonstrated that the ideal physical stability was attained with a nilotinib quantity of 0.5 g, a pH value of 11.70, and 7.5 mL of HCl with a concentration of 2.0 mol/L. It is important to acknowledge that this observation is specific to the current experimental configuration and may not hold in the context of a scaled-up experiment. Furthermore, the combination of PDF and R_c was identified as an innovative and effective method for assessing physical stability, demonstrating advantages over traditional accelerated stability testing approaches. Full article

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

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14 pages, 4382 KiB

Open AccessArticle

One-Step Fabrication of Poly(vinylidene Fluoride-Co-Hexafluoropropylene)/Perfluorodecyltriethoxysilane Fibrous Membranes with Waterproof, Breathable, and Radiative Cooling Properties

by Aohan Hou, Juan Xie, Xiaohui Wu, Guichun Lin, Yayi Yuan, Xi Liu, Yancheng Wu, Feng Gan, Yangling Li, Yuxiao Wu, Gang Huang, Zhengrong Li and Jing Zhao

Molecules 2025, 30(4), 763; https://doi.org/10.3390/molecules30040763 (registering DOI) - 7 Feb 2025

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Abstract

Functional membranes with waterproof, breathable, and thermal regulation capabilities are increasingly sought after across various industries. However, developing such functional membranes commonly involves complex multi-step preparation processes. Herein, we introduced perfluorodecyltriethoxysilane (FAS) into the poly(vinylidene fluoride-co-hexafluoropropylene) (PVDF-HFP) solution for one-step electrospinning, successfully fabricating [...] Read more.

Functional membranes with waterproof, breathable, and thermal regulation capabilities are increasingly sought after across various industries. However, developing such functional membranes commonly involves complex multi-step preparation processes. Herein, we introduced perfluorodecyltriethoxysilane (FAS) into the poly(vinylidene fluoride-co-hexafluoropropylene) (PVDF-HFP) solution for one-step electrospinning, successfully fabricating membranes that combine these properties. The hydrophobicity of the PVDF-HFP/FAS membrane was greatly improved with the water contact angle increased from 120.6° to 142.9° and the solar reflectance rising from 72% to 92% due to the presence of fluorocarbon segments. The synergistic effect of enhanced hydrophobicity, small pore size, and elevated solar reflectivity resulted in robust water resistance (62 kPa), excellent water vapor transmission rate (12.4 kg m⁻² d⁻¹), and superior cooling performance (6.4 °C lower than commercial cotton fabrics). These findings suggest that the proposed PVDF-HFP/FAS membranes, characterized by desired multifunction characteristics and scalable production, hold great potential for application in diverse strategic fields. Full article

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15 pages, 2197 KiB

Open AccessArticle

Microbial Transglutaminase—The Food Additive, a Potential Inducing Factor in Primary Biliary Cholangitis

by Alicja Bauer, Paulina Rosiek and Tomasz Bauer

Molecules 2025, 30(4), 762; https://doi.org/10.3390/molecules30040762 (registering DOI) - 7 Feb 2025

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Abstract

Microbial transglutaminase (mTG) is a bacterial survival factor, which is frequently used as a food additive. This results in the formation of immunogenic epitopes that may cause autoimmunity. Primary biliary cholangitis (PBC) is a cholestatic, autoimmune liver disease characterized by the presence of [...] Read more.

Microbial transglutaminase (mTG) is a bacterial survival factor, which is frequently used as a food additive. This results in the formation of immunogenic epitopes that may cause autoimmunity. Primary biliary cholangitis (PBC) is a cholestatic, autoimmune liver disease characterized by the presence of characteristic autoantibodies. The aim of this work was to determine epitope similarity and cross-reactivity between mTG- and PBC-specific antigens and to investigate whether the microbial enzyme may be associated with the induction of autoimmunity due to epitope similarity and cross-reactivity. Monoclonal and polyclonal antibodies against mTG were applied to nine different PBC-specific antigens using ELISA technique. They reacted significantly with four out of nine antigens. This reaction was most pronounced for gp210 and PML protein. We also performed in vitro studies on the impact of the mTG on the specific antigen–antibody binding using sera of PBC patients. We found four PBC-specific antigens that share homology with mTG sequences. We noticed inhibition of this specific binding by the mTG to the PDC M2, gp210, PML, and KLHL12 protein. Microbial mimics may be the major targets of cross-reactivity with human-specific antigens. Cross-reactivity may indicate a link between mTG and the development of autoimmune diseases. Full article

(This article belongs to the Special Issue Bioactive Compounds in Food: Analysis and Human Health)

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19 pages, 927 KiB

Open AccessArticle

Rapid Profiling of Volatile Organic Compounds Associated with Plant-Based Milks Versus Bovine Milk Using an Integrated PTR-ToF-MS and GC-MS Approach

by Antonia Corvino, Iuliia Khomenko, Emanuela Betta, Federico Ivan Brigante, Luana Bontempo, Franco Biasioli and Vittorio Capozzi

Molecules 2025, 30(4), 761; https://doi.org/10.3390/molecules30040761 (registering DOI) - 7 Feb 2025

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Abstract

The growing demand for plant-based beverages has underscored the importance of investigating their volatile profiles, which play a crucial role in sensory perception and consumer acceptance. This is especially true for plant-based milks (PBMs) that have a clear reference model in bovine milk. [...] Read more.

The growing demand for plant-based beverages has underscored the importance of investigating their volatile profiles, which play a crucial role in sensory perception and consumer acceptance. This is especially true for plant-based milks (PBMs) that have a clear reference model in bovine milk. This study characterises the volatile organic compounds (VOCs) in soy, almond and oat beverages compared to bovine milk using proton transfer reaction-time of flight-mass spectrometry (PTR-ToF-MS) as a rapid and noninvasive screening tool, complemented by gas chromatography-mass spectrometry (GC-MS) for compound identification. A total of 188 mass peaks were detected by PTR-ToF-MS, all showing significant differences from the blank, while GC-MS allowed the identification of 50 compounds, supporting the tentative identifications performed with PTR-MS analysis. In order to facilitate a comparison of different milks, after statistical analysis, these 188 mass peaks were further categorised into two groups: one consisting of VOCs with minimal variability across all samples and another comprising VOCs with significantly different abundances, distinctly characterising each beverage. Principal component analysis revealed a clear separation between bovine milk and PBMs, with almond beverages exhibiting the richest volatilome, while oat beverages displayed a more homogeneous volatile profile. PTR-ToF-MS demonstrated its ability to analyse volatile profiles rapidly, with excellent complementarity to GC-MS in terms of analytical versatility. The results provided a valuable basis for testing new experimental designs aimed to characterise and enhance flavour profiles in plant-based beverages, also after processing, in case of new product development that considers using these milks as raw materials. Full article

(This article belongs to the Special Issue Innovative Analytical Techniques in Food Chemistry)

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12 pages, 2085 KiB

Open AccessArticle

Coenzyme Q₁₀ as an Inhibitor of Effector Release from One-Electron-Reduced Bioreductive Anticancer Prodrugs

by Robert F. Anderson and Wen Qi

Molecules 2025, 30(4), 760; https://doi.org/10.3390/molecules30040760 (registering DOI) - 7 Feb 2025

Viewed by 182

Abstract

The kinetic parameters for the release of anticancer effectors from the radical anions of prodrugs through fragmentation have been measured under conditions that model the interfacial region where the enzymatic reduction in the prodrugs takes place. While the back-oxidation of the radical anions [...] Read more.

The kinetic parameters for the release of anticancer effectors from the radical anions of prodrugs through fragmentation have been measured under conditions that model the interfacial region where the enzymatic reduction in the prodrugs takes place. While the back-oxidation of the radical anions via O₂ mainly occurs under normoxia, preventing radical anion fragmentation, this is not the case for the lower concentrations of O₂ found in hypoxic regions of tumors. Rate-constant data show that O₂ concentrations known to bring about a 50% decrease in the level of cell kill arising from the prodrugs in anoxia (the K-value) do not significantly inhibit the fragmentation of radical anions. Evidence is put forward suggesting that radical anions can undergo an electron transfer to ubiquinone (CoQ₁₀, UQ) in competition with the fragmentation of the radical anions releasing effectors. The prior inhibition of the synthesis of UQ in cells is put forward as a possible approach to increase the effectiveness of such prodrugs in killing hypoxic tumor cells. Full article

(This article belongs to the Section Medicinal Chemistry)

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25 pages, 4738 KiB

Open AccessReview

Machine Learning-Assisted High-Throughput Screening for Electrocatalytic Hydrogen Evolution Reaction

by Guohao Yin, Haiyan Zhu, Shanlin Chen, Tingting Li, Chou Wu, Shaobo Jia, Jianxiao Shang, Zhequn Ren, Tianhao Ding and Yawei Li

Molecules 2025, 30(4), 759; https://doi.org/10.3390/molecules30040759 (registering DOI) - 7 Feb 2025

Viewed by 164

Abstract

Hydrogen as an environmentally friendly energy carrier, has many significant advantages, such as cleanliness, recyclability, and high calorific value of combustion, which makes it one of the major potential sources of energy supply in the future. Hydrogen evolution reaction (HER) is an important [...] Read more.

Hydrogen as an environmentally friendly energy carrier, has many significant advantages, such as cleanliness, recyclability, and high calorific value of combustion, which makes it one of the major potential sources of energy supply in the future. Hydrogen evolution reaction (HER) is an important strategy to cope with the global energy shortage and environmental degradation, and given the large cost involved in HER, it is crucial to screen and develop stable and efficient catalysts. Compared with the traditional catalyst development model, the rapid development of data science and technology, especially machine learning technology, has shown great potential in the field of catalyst development in recent years. Among them, the research method of combining high-throughput computing and machine learning has received extensive attention in the field of materials science. Therefore, this paper provides a review of the recent research on combining high-throughput computing with machine learning to guide the development of HER electrocatalysts, covering the application of machine learning in constructing prediction models and extracting key features of catalytic activity. The future challenges and development directions of this field are also prospected, aiming to provide useful references and lessons for related research. Full article

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17 pages, 1074 KiB

Open AccessArticle

A Systematic Study of Liquid Chromatography in Search of the Best Separation of Cannabinoids for Potency Testing of Hemp-Based Products

by Ayowole Owolabi, Olalekan Ogunsola, Emma Joens, Medline Kotler and Liguo Song

Molecules 2025, 30(4), 758; https://doi.org/10.3390/molecules30040758 (registering DOI) - 7 Feb 2025

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Abstract

A study was conducted to search for the best separation of eighteen cannabinoids, the maximum number of cannabinoids that have been quantified so far, for potency testing of hemp-based products using liquid chromatography diode array detector (LC-DAD). The investigation utilized four column types, [...] Read more.

A study was conducted to search for the best separation of eighteen cannabinoids, the maximum number of cannabinoids that have been quantified so far, for potency testing of hemp-based products using liquid chromatography diode array detector (LC-DAD). The investigation utilized four column types, all sharing the same dimension (150 mm × 2.1 mm) and core–shell particle size (2.7 µm), but different stationary phases: dimethyl-octadecyl (Poroshell 120 EC-C18), diisobutyl-octadecyl (Raptor ARC-18), reverse phase (RP)-carbamate (Cortecs Shield RP-18), and RP-amide (Ascentis Express RP-Amide). The resolution of adjacent cannabinoids was kept close to 1.5 or higher, while the separation time was kept as short as possible. The fastest separation was achieved within 15.0 min using two sequential Raptor ARC-18 columns, with a mobile phase consisting of 75.0% acetonitrile and 25.0% aqueous solution of 0.03% formic acid and 0.5 mM ammonium formate at pH 2.97, at a flow rate of 0.5 mL/min. A slightly improved resolution of the eighteen cannabinoids was obtained within 18.5 min using two sequential Poroshell 120 EC-C18 columns under similar conditions, except for a mobile phase containing 77.5% acetonitrile and a reduced flow rate of 0.45 mL/min due to backpressure higher than 600 bars. Furthermore, a rapid 7.0 min separation was achieved for potency testing of hemp-based products by liquid chromatography electrospray ionization tandem mass spectrometry (LC-ESI/MS/MS) using a Cortecs Shield RP-18 column, with a mobile phase consisting of 70.0% acetonitrile and 30.0% aqueous solution of 0.01% formic acid and 1 mM ammonium formate at pH 3.38 at a flow rate of 0.5 mL/min. Full article

(This article belongs to the Section Analytical Chemistry)

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22 pages, 18595 KiB

Open AccessArticle

Structural Characterization and Anti-Gouty Nephropathy Potential of Polysaccharides from Atractylodes chinensis

by Xue Chen, Ruipu Jia, Kai Zhang, Shiqing Sun, Mei Mei, Hong Zhao, Yu Shen, Yuliang Wang and Yu Zhang

Molecules 2025, 30(4), 757; https://doi.org/10.3390/molecules30040757 (registering DOI) - 7 Feb 2025

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Abstract

Polysaccharides derived from Atractylodes chinensis (DC.) Koidz. (ACP), a traditional Chinese medicine, were extracted and analyzed for their structural characteristics and anti-gouty nephropathy (GN) activity. Sprague-Dawley (SD) rats were divided into six groups: control, model, positive control, and three treatment groups (ACP-60-L, ACP-60-M, [...] Read more.

Polysaccharides derived from Atractylodes chinensis (DC.) Koidz. (ACP), a traditional Chinese medicine, were extracted and analyzed for their structural characteristics and anti-gouty nephropathy (GN) activity. Sprague-Dawley (SD) rats were divided into six groups: control, model, positive control, and three treatment groups (ACP-60-L, ACP-60-M, and ACP-60-H). Treatment significantly reduced inflammatory responses and renal damage, as evidenced by decreased levels of uric acid (UA), creatinine (Cr), and blood urea nitrogen (BUN), alongside modulation of NOD-like receptor protein 3 (NLRP3) expression in renal tissues. ACP-60 was fractionated into three polysaccharides, including ACP-60-A (Mw 9.18 kDa), ACP-60-B (Mw 58.21 kDa), and ACP-60-C (Mw 109.01 kDa) using DEAE-52 cellulose column chromatography. Monosaccharide analysis revealed that ACP-60-A predominantly comprised fructose (Fru) and glucose (Glc), ACP-60-B contained rhamnose (Rha), galactose (Gal), Fru, and mannose (Man), and ACP-60-C included Man, Gal, Rha and xylose (Xyl). In vitro studies using HK-2 cells confirmed the anti-GN activity of all three fractions, with ACP-60-A demonstrating the highest efficacy. Structural elucidation of ACP-60-A identified its main glycosidic linkages as a →1)-β-Fruf-(2→ backbone with α-Glcp-(1→ and β-Fruf-(2→ branches. The underlying mechanism of ACP-60-A’s anti-GN activity is associated with inhibition of the NLRP3 inflammasome signaling pathway, suppression of downstream inflammatory factor release, and downregulation of NLRP3, ASC, and Caspase-1 protein expression. Further studies demonstrated that the superior activity of ACP-60-A is attributable to its lower molecular weight, specific monosaccharide composition, and unique glycosidic bond arrangement. ACP-60-A shows potential for increased anti-GN efficacy through purification or modification, laying the groundwork for developing novel therapeutic agents for GN. Full article

(This article belongs to the Special Issue Research and Application of Plant Sourced Polysaccharides—2nd Edition)

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Molecules, Volume 30, Issue 4 (February-2 2025) – 11 articles

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