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Search Results (431)

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14 pages, 2230 KiB  
Article
Complete Mitochondrial (mtDNA) Genome Analysis of Economically Significant Fish Cirrhinus cirrhosus in Bangladesh
by Tajmirul Huda, Md. Alamgir Kabir and Md. Golam Rabbane
Int. J. Mol. Sci. 2025, 26(15), 7473; https://doi.org/10.3390/ijms26157473 - 2 Aug 2025
Viewed by 168
Abstract
Complete mitochondrial DNA genome annotation of an ecologically and commercially important fish species Cirrhinus cirrhosus was executed with next-generation sequencing (NGS) for nucleotide and phylogenetic analyses. The findings of this study showed that the Cirrhinus cirrhosus mitochondrial genome contained 16,593 bp, including 13 [...] Read more.
Complete mitochondrial DNA genome annotation of an ecologically and commercially important fish species Cirrhinus cirrhosus was executed with next-generation sequencing (NGS) for nucleotide and phylogenetic analyses. The findings of this study showed that the Cirrhinus cirrhosus mitochondrial genome contained 16,593 bp, including 13 protein-coding genes, 2 ribosomal RNA genes, 22 tRNA genes, and a D-loop region. The overall base composition was 32% adenine, 25% thiamine, 16% guanine, and 27% cytosine. This mitochondrial DNA exhibits an AT biasness, with 56% AT content in its genome. Significant fluctuations were identified in the AT and GC skew values of the ND6 gene, indicating that the selection and mutation forces acting on this gene might be different from those acting on other genes. The Ka/Ks ratios of most protein-coding genes were less than 1, indicating very strong natural selection pressure. Phylogenetic analysis of Cirrhinus cirrhosus with Cirrhinus mrigala and Bangana tungting suggested a closer evolutionary relationship among these species, which might have shared a more recent common ancestor. It has been also found that the genera Labeo and Cirrhinus are not monophyletic. Full article
(This article belongs to the Section Molecular Genetics and Genomics)
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23 pages, 3297 KiB  
Article
Phenotypic Changes and Oxidative Stress in THP-1 Macrophages in Response to Vanilloids Following Stimulation with Allergen Act d 1 and LPS
by Milena Zlatanova, Jovana Grubač, Jovana Trbojević-Ivić and Marija Gavrović-Jankulović
Antioxidants 2025, 14(8), 949; https://doi.org/10.3390/antiox14080949 (registering DOI) - 1 Aug 2025
Viewed by 272
Abstract
Activation of macrophages plays a key role in both inflammation and oxidative stress, key features of many chronic diseases. Pro-inflammatory M1-like macrophages, in particular, contribute to pro-oxidative environments and are a frequent focus of immunological research. This research examined the effects of kiwifruit [...] Read more.
Activation of macrophages plays a key role in both inflammation and oxidative stress, key features of many chronic diseases. Pro-inflammatory M1-like macrophages, in particular, contribute to pro-oxidative environments and are a frequent focus of immunological research. This research examined the effects of kiwifruit allergen Act d 1, in comparison to LPS, on THP-1 macrophages in vitro differentiated under optimized conditions, both in the presence and in the absence of selected vanilloids. THP-1 monocyte differentiation was optimized by varying PMA exposure and resting time. Act d 1 induced M1-like phenotypic changes comparable to LPS, including upregulation of CD80, IL-1β and IL-6 secretion, gene expression of iNOS and NF-κB activation, in addition to increased reactive oxygen species (ROS) and catalase activity. Treatment with specific vanilloids mitigated these responses, primarily through reduced oxidative stress and NF-κB activation. Notably, vanillin (VN) was the most effective, also reducing CD80 expression and IL-1β levels. These results suggest that vanilloids can affect pro-inflammatory signaling and oxidative stress in THP-1 macrophages and highlight their potential to alter inflammatory conditions characterized by similar immune responses. Full article
(This article belongs to the Section Natural and Synthetic Antioxidants)
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14 pages, 10838 KiB  
Article
Transcription Factor LjWRKY50 Affects Jasmonate-Regulated Floral Bud Duration in Lonicera japonica
by Yanfei Li, Yutong Gan, Guihong Qi, Wenjie Xu, Tianyi Xin, Yuanhao Huang, Lianguo Fu, Lijun Hao, Qian Lou, Xiao Fu, Xiangyun Wei, Lijun Liu, Chengming Liu and Jingyuan Song
Plants 2025, 14(15), 2328; https://doi.org/10.3390/plants14152328 - 27 Jul 2025
Viewed by 358
Abstract
Lonicera japonica Thunb. is a traditional Chinese medicinal herb whose floral buds are the primary source of pharmacological compounds that require manual harvesting. As a result, its floral bud duration, determined by the opening time, is a key determinant of both quality and [...] Read more.
Lonicera japonica Thunb. is a traditional Chinese medicinal herb whose floral buds are the primary source of pharmacological compounds that require manual harvesting. As a result, its floral bud duration, determined by the opening time, is a key determinant of both quality and economic value. However, the genetic mechanisms controlling floral bud duration remain poorly understood. In this study, we employed population structure analysis and molecular experiments to identify candidate genes associated with this trait. The improved cultivar Beihua No. 1 (BH1) opens its floral buds significantly later than the landrace Damaohua (DMH). Exogenous application of methyl jasmonate (MeJA) to BH1 indicated that jasmonate acts as a negative regulator of floral bud duration by accelerating floral bud opening. A genome-wide selection scan across 35 germplasms with varying floral bud durations identified the transcription factor LjWRKY50 as the causative gene influencing this trait. The dual-luciferase reporter assay and qRT-PCR experiments showed that LjWRKY50 activates the expression of the jasmonate biosynthesis gene, LjAOS. A functional variant within LjWRKY50 (Chr7:24636061) was further developed into a derived cleaved amplified polymorphic sequence (dCAPS) marker. These findings provide valuable insights into the jasmonate-mediated regulation of floral bud duration, offering genetic and marker resources for molecular breeding in L. japonica. Full article
(This article belongs to the Section Plant Genetics, Genomics and Biotechnology)
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15 pages, 5562 KiB  
Article
Effect of Amino Trimethylene Phosphonic Acid and Tartaric Acid on Compressive Strength and Water Resistance of Magnesium Oxysulfate Cement
by Yutong Zhou, Zheng Zhou, Lvchao Qiu, Kuangda Lu, Dongmei Xu, Shiyuan Zhang, Shixuan Zhang, Shouwei Jian and Hongbo Tan
Materials 2025, 18(15), 3473; https://doi.org/10.3390/ma18153473 - 24 Jul 2025
Viewed by 155
Abstract
Organic acids could act as retarders in magnesium oxysulfide (MOS) systems, not only delaying setting and improving fluidity but also enhancing compressive strength and water resistance. These effects are generally attributed to both the presence of H+ ions and anion chelation. However, [...] Read more.
Organic acids could act as retarders in magnesium oxysulfide (MOS) systems, not only delaying setting and improving fluidity but also enhancing compressive strength and water resistance. These effects are generally attributed to both the presence of H+ ions and anion chelation. However, the enhancement efficiency of different organic acids in MOS systems varies significantly due to differences in their molecular structures. To determine the underlying mechanism, this study comparatively investigated the effects of amino trimethylene phosphonic acid (ATMP) and tartaric acid (TA) on the setting time, fluidity, compressive strength, and water resistance of the MOS system, with the two additives incorporated at mole ratios to MgO ranging from 0.002 to 0.006. The mechanism behind it was revealed by discussion on the hydration heat, hydrates, and pH value. Results showed that both ATMP and TA could effectively improve the fluidity, delay the setting process, and enhance the mechanical properties, including strength and water resistance. At a mole ratio of 0.006, the incorporation of ATMP increased the 28 d compressive strength and the softening coefficient by 214.12% and 37.29%, respectively, compared with the blank group. In contrast, under the same dosage, TA led to an increase of 55.13% in the 28 d strength and 22.03% in the softening coefficient. Furthermore, hydration heat, product analysis, and pH measurements indicated that both ATMP and TA inhibited hydration during the initial hours but promoted hydration at later stages. The potential reason could be divided into two aspects: (1) H+ ions from ATMP and TA suppressing the formation of Mg(OH)2; (2) anion chelation with Mg2+ in the liquid phase, leading to a supersaturated solution with higher saturation, which further hindered Mg(OH)2 formation and facilitated the later development of 5Mg(OH)2·MgSO4·7H2O (517 phase). By contrast, under the same mole dosage of H+ or anions, the enhancement in compressive strength as well as the water resistance is superior when using ATMP. This was owing to its stronger chelating ability of ATMP, which more effectively inhibited Mg(OH)2 formation and then promoted the formation of the 517 phase. These findings confirm that the chelating ability of anions exerts an important impact on the retarding effect as well as the enhancement of strength in MOS systems. Full article
(This article belongs to the Section Construction and Building Materials)
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16 pages, 2412 KiB  
Article
Dynamic Network Driver Analysis Identifies Master Factors Associated with Progression of Solar Lentigines
by Deyu Cai, Hong Zhang, Chengming Zhang, Xue Xiao, Xiao Cui, Xuelan Gu and Luonan Chen
Biology 2025, 14(7), 876; https://doi.org/10.3390/biology14070876 - 17 Jul 2025
Viewed by 358
Abstract
Solar lentigines, commonly caused by prolonged ultraviolet exposure, raise the risk of skin disorders and remain challenging to manage due to their complex mechanisms. Understanding the molecular mechanisms driving the progression of solar lentigines is crucial for developing effective protective strategies. In this [...] Read more.
Solar lentigines, commonly caused by prolonged ultraviolet exposure, raise the risk of skin disorders and remain challenging to manage due to their complex mechanisms. Understanding the molecular mechanisms driving the progression of solar lentigines is crucial for developing effective protective strategies. In this study, we introduced a novel method, Dynamic Network Driver (DND), which identifies upstream regulators that drive disease progression by integrating the Dynamic Network Biomarker (DNB) approach with network control theory. By applying DND to multi-omics data from solar lentigines subjects, we (1) identified the key drivers associated with solar lentigo progression, with their functions involved in differentiation and dermal–epidermal junction; and (2) highlighted ARNT2 and TBX2 as significant master factors supported by in vitro validation in melanocytes and pigmented 3D living skin equivalent models. These results demonstrate the potency of DND for uncovering the molecular mechanisms behind solar lentigines and informing therapeutic strategies. In summary, the DND approach identified novel drivers of solar lentigo progression, acting as new markers for spot mitigation in 3D spot mimic models. Full article
(This article belongs to the Special Issue Physiology and Pathophysiology of Skin)
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27 pages, 3832 KiB  
Article
Regulation of the Microbiome in Soil Contaminated with Diesel Oil and Gasoline
by Agata Borowik, Jadwiga Wyszkowska, Magdalena Zaborowska and Jan Kucharski
Int. J. Mol. Sci. 2025, 26(13), 6491; https://doi.org/10.3390/ijms26136491 - 5 Jul 2025
Viewed by 303
Abstract
Petroleum-derived contaminants pose a significant threat to the soil microbiome. Therefore, it is essential to explore materials and techniques that can restore homeostasis in disturbed environments. The aim of the study was to assess the response of the soil microbiome to contamination with [...] Read more.
Petroleum-derived contaminants pose a significant threat to the soil microbiome. Therefore, it is essential to explore materials and techniques that can restore homeostasis in disturbed environments. The aim of the study was to assess the response of the soil microbiome to contamination with diesel oil (DO) and gasoline (G) and to determine the capacity of sorbents, vermiculite (V), dolomite (D), perlite (P) and agrobasalt (A), to enhance the activity of microorganisms under Zea mays cultivation conditions in pot experiments. The restoration and activity of the soil microbiome were evaluated based on the abundance and diversity of bacteria and fungi, using both classical microbiological methods and Next Generation Sequencing (NGS). Bioinformatic tools were employed to calculate the physicochemical properties of proteins. DO increased the abundance of cultured microorganisms, whereas G significantly reduced it. Both DO and G increased the number of ASVs of Proteobacteria and decreased the relative abundance of Gemmatimonadetes, Chloroflexi, Acidobacteria, Verrucomicrobia, Planctomycetes, and fungal OTUs. These contaminants stimulated the growth of bacteria from the genera Rhodanobacter, Sphingomonas, Burkholderia, Sphingobium, and Mycobacterium, as well as fungi belonging to the Penicillium genus. Conversely, they had a negative effect on Kaistobacter, Rhodoplanes, and Ralstonia, as well as the fungi Chaetomium, Pseudaleuria, and Mortierella. DO caused greater changes in microbial alpha diversity than G. The stability of microbial proteins was higher at 17 °C than at −1 °C. The most stable proteins were found in bacteria and fungi identified within the core soil microbiome. These organisms exhibited greater diversity and more compact RNA secondary structures. The application of sorbents to contaminated soil altered the composition of bacterial and fungal communities. All sorbents enhanced the growth of organotrophic bacteria (Org) and fungi (Fun) in DO-contaminated soils, and actinobacteria (Act) and fungi in G-contaminated soils. V and A had the most beneficial effects on cultured microorganisms. In DO-contaminated soils, all sorbents inhibited the growth of Rhodanobacter, Parvibaculum, Sphingomonas, and Burkholderia, while stimulating Salinibacterium and Penicillium. In G-contaminated but otherwise unamended soils, all sorbents negatively affected the growth of Burkholderia, Sphingomonas, Kaistobacter, Rhodoplanes, Pseudonocardia, and Ralstonia and increased the abundance of Gymnostellatospora. The results of this study provide a valuable foundation for developing effective strategies to remediate soils contaminated with petroleum-derived compounds. Full article
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23 pages, 8209 KiB  
Article
Enhanced Anticancer Potential of Pd(II)-Thiosemicarbazone Complexes: Selectivity, Mechanisms, and 3D Models
by Mauro A. Lima, Tamara Teixeira, Dario B. Fortaleza, George B. S. Pereira, Amos O. Akinyemi, Carlos André Ferreira Moraes, Moacir R. Forim, Alzir A. Batista, Jocely L. Dutra, João H. Araujo-Neto, Javier A. Ellena and Fillipe V. Rocha
Pharmaceutics 2025, 17(7), 829; https://doi.org/10.3390/pharmaceutics17070829 - 25 Jun 2025
Viewed by 482
Abstract
Background/Objectives: Cancer remains a major global health challenge, driving the search for novel chemotherapeutic agents. This study aimed to evaluate the structural and biological properties of a series of Pd(II) complexes containing triphenylphosphine and thiosemicarbazone ligands, in order to assess their potential as [...] Read more.
Background/Objectives: Cancer remains a major global health challenge, driving the search for novel chemotherapeutic agents. This study aimed to evaluate the structural and biological properties of a series of Pd(II) complexes containing triphenylphosphine and thiosemicarbazone ligands, in order to assess their potential as anticancer agents. Methods: Six Pd(II) complexes with the general formula [PdCl(PPh3)(TSC)] were synthesized and fully characterized by NMR (1H, 1³C, ³1P), FTIR, mass spectrometry, and X-ray diffraction. Their cytotoxic effects were investigated through in vitro assays using 2D and 3D cancer cell models, including clonogenic, wound healing, cell cycle, and apoptosis assays via flow cytometry. Results: Complexes from the B family demonstrated significantly higher cytotoxicity than those from the C family, particularly against ovarian (IC50 < 1 µM) and breast (IC50~2 µM) cancer cell lines. These compounds exhibited superior potency and selectivity compared to cisplatin, with high selectivity indices toward non-tumor cells. Mechanistic studies revealed both cytotoxic and cytostatic effects depending on structural variations, with apoptosis identified as the primary mechanism of cell death. PdB1, in particular, induced a marked increase in late apoptotic populations and maintained its cytotoxic activity in 3D spheroid models by promoting disintegration, loss of cell adhesion, and nuclear fragmentation. Conclusions: The findings underscore the therapeutic promise of Pd(II) complexes, especially PdB1, as potent and selective antineoplastic agents capable of acting effectively in complex tumor environments and potentially overcoming chemoresistance. Full article
(This article belongs to the Special Issue Pharmaceutical Applications of Metal Complexes and Derived Materials)
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18 pages, 3502 KiB  
Review
Roles of Bile Acid-Activated Receptors in Monocytes-Macrophages and Dendritic Cells
by Huilin Jia, Xingli He, Tengfei Jiang and Fanzhi Kong
Cells 2025, 14(12), 920; https://doi.org/10.3390/cells14120920 - 18 Jun 2025
Viewed by 718
Abstract
Bile acids (BAs), essential for lipid metabolism and fat-soluble vitamin absorption, also act as signaling molecules that regulate immune homeostasis. This review focuses on the roles of four key BA-activated receptors, farnesoid X receptor (FXR), G protein-coupled bile acid receptor 1 (GPBAR1), liver [...] Read more.
Bile acids (BAs), essential for lipid metabolism and fat-soluble vitamin absorption, also act as signaling molecules that regulate immune homeostasis. This review focuses on the roles of four key BA-activated receptors, farnesoid X receptor (FXR), G protein-coupled bile acid receptor 1 (GPBAR1), liver X receptors (LXRs), and vitamin D receptor (VDR), in modulating the functions of monocytes-macrophages, and dendritic cells (DCs). The biological synthesis, transport, and metabolism of BAs were discussed and highlighted the feedback mechanisms regulating the synthesis and enterohepatic circulation of BAs. Each receptor’s role in shaping immune responses is detailed, including their function in inflammation, apoptosis, phagocytosis, and pathogen clearance. FXR and GPBAR1 activation generally exhibits anti-inflammatory effects, while LXR and VDR modulate a more nuanced interplay between immune responses and lipid homeostasis. We also explored the cross-talk between BA-activated receptors and Toll-like receptors, providing a comprehensive understanding of the complex interplay between BA signaling and innate immunity. This review culminates by highlighting the therapeutic potential of targeting these receptors for the treatment of inflammatory and autoimmune diseases. Full article
(This article belongs to the Section Cellular Immunology)
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12 pages, 1023 KiB  
Brief Report
What Is the Potential of Daphnia (Water Flea) Predation as a Means of Biological Suppression of Prymnesium parvum (Golden Algae) Blooms in Ecologically Relevant Conditions?
by Marta Galas, Marta Grabska, Maksymilian Zienkiewicz and Tomasz Krupnik
Plants 2025, 14(12), 1796; https://doi.org/10.3390/plants14121796 - 11 Jun 2025
Viewed by 838
Abstract
This study explores the interaction between Prymnesium parvum and Daphnia magna under low-salinity conditions. P. parvum showed reduced growth below 0.4 PSU and peaked at 1.0 PSU within the tested 0.2–1.0 PSU range. D. magna, exposed to P. parvum across 0.0–6.0 PSU, [...] Read more.
This study explores the interaction between Prymnesium parvum and Daphnia magna under low-salinity conditions. P. parvum showed reduced growth below 0.4 PSU and peaked at 1.0 PSU within the tested 0.2–1.0 PSU range. D. magna, exposed to P. parvum across 0.0–6.0 PSU, experienced increased mortality at 4.0 and 6.0 PSU, but tolerated 0.0–1.0 PSU well and grazed actively on P. parvum without significant vitality loss. This range reflects conditions observed in the Oder River during the 2022 fish die-off. The count of P. parvum cells did not vary significantly across the 0.2 to 1.0 PSU range of salinities in D. magna presence, except at 0.6 PSU. All daphnids survived even at P. parvum densities of 1 × 105 cells/mL, though increasing algal concentrations reduced juvenile growth rates. Direct observation under a microscope confirmed algal ingestion. Toxin accumulation in cells and medium likely reduced grazing efficiency via allelopathic effects. The study assessed whether D. magna can tolerate prymnesins while maintaining feeding under varying salinities. Results suggest that Daphnia magna could act as a biological suppressor of golden algae under certain environmental conditions, though further work is needed to quantify grazing efficiency and prymnesins concentrations. Full article
(This article belongs to the Special Issue Mechanisms of Algae Adapting to Environmental Changes)
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32 pages, 793 KiB  
Review
A Scoping Review of the Relationship Between Psychological (In)flexibility and Living with and Managing Type 1 and Type 2 Diabetes
by Max Z. Roberts, Francesca A. Scheiber, Ashley A. Moskovich and Rhonda M. Merwin
Behav. Sci. 2025, 15(6), 792; https://doi.org/10.3390/bs15060792 - 9 Jun 2025
Viewed by 739
Abstract
Diabetes Mellitus (DM) is highly prevalent and carries a significant self-management burden and elevated risk of biopsychosocial sequelae. Psychological flexibility (PF) has been shown to benefit living with and managing chronic health conditions. The present scoping review aimed to synthesize the available evidence [...] Read more.
Diabetes Mellitus (DM) is highly prevalent and carries a significant self-management burden and elevated risk of biopsychosocial sequelae. Psychological flexibility (PF) has been shown to benefit living with and managing chronic health conditions. The present scoping review aimed to synthesize the available evidence on the relationship between PF and factors central to living with and managing DM. A systematic literature search was conducted. Studies were included if they measured psychological (in)flexibility (PI/PF) and/or one of its component processes and sampled individuals with type 1 or type 2 DM. A total of 48 articles were included. Eighteen (37.5%) sampled individuals with T2D, 16 (33.3%) sampled individuals with T1D, and 14 (29.2%) had mixed diagnostic samples. Twenty-nine (60.4%) reported observational studies, and 19 (39.6%) reported 18 intervention studies. Studies were conducted across 17 countries and broadly found that PI/PF were associated with many clinically meaningful DM variables (e.g., HbA1c, diabetes distress, quality of life, and self-management). Intervention studies including individual, group, and digital Acceptance and Commitment Therapy (ACT) interventions showed trends for beneficial change in PI/PF and diabetes outcomes, but some findings were mixed, and many studies were underpowered. Only two studies tested change in PI/PF as a mediator of diabetes-related outcomes, and most studies used the Acceptance and Action Questionnaire, which has been increasingly criticized for poor discriminant validity. Overall, findings show PI/PF are associated with most aspects of living with and managing diabetes and are generally amenable to change through ACT interventions. However, more methodologically rigorous studies are needed to determine whether PI/PF are active change processes in improving diabetes management and outcomes. Six key calls to action are presented to expand and strengthen this important area of research. Full article
(This article belongs to the Special Issue Psychological Flexibility for Health and Wellbeing)
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16 pages, 8659 KiB  
Article
Dielectric Wireless Passive Temperature Sensor
by Taimur Aftab, Shah Hussain, Leonhard M. Reindl and Stefan Johann Rupitsch
J. Sens. Actuator Netw. 2025, 14(3), 60; https://doi.org/10.3390/jsan14030060 - 6 Jun 2025
Viewed by 2944
Abstract
Resonators are passive components that respond to an excitation signal by oscillating at their natural frequency with an exponentially decreasing amplitude. When combined with antennas, resonators enable purely passive chipless sensors that can be read wirelessly. In this contribution, we investigate the properties [...] Read more.
Resonators are passive components that respond to an excitation signal by oscillating at their natural frequency with an exponentially decreasing amplitude. When combined with antennas, resonators enable purely passive chipless sensors that can be read wirelessly. In this contribution, we investigate the properties of dielectric resonators, which combine the following functionalities: They store the readout signal for a sufficiently long time and couple to free space electromagnetic waves to act as antennas. Their mode spectrum, along with their resonant frequencies, quality factor, and coupling to electromagnetic waves, is investigated using a commercial finite element program. The fundamental mode exhibits a too-low overall Q factor. However, some higher modes feature overall Q factors of several thousand, which allows them to act as transponders operating without integrated circuits, batteries, or antennas. To experimentally verify the simulations, isolated dielectric resonators exhibiting modes with similarly high radiation-induced and dissipative quality factors were placed on a low-loss, low permittivity ceramic holder, allowing their far-field radiation properties to be measured. The radiation patterns investigated in the laboratory and outdoors agree well with the simulations. The resulting radiation patterns show a directivity of approximately 7.5 dBi at 2.5 GHz. The sensor was then heated in a ceramic furnace with the readout antenna located outside at room temperature. Wireless temperature measurements up to 700 °C with a resolution of 0.5 °C from a distance of 1 m demonstrated the performance of dielectric resonators for practical applications. Full article
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15 pages, 3356 KiB  
Article
Synthesis, Crystal Structure, Characterization, and Hydrophobicity Tests of Bismuth(III)– and Silver(I)–Triammionium Bromide Low-Dimensional Perovskites
by Victor C. Sousa, Bruno Dival and Willian X. C. Oliveira
Compounds 2025, 5(2), 20; https://doi.org/10.3390/compounds5020020 - 4 Jun 2025
Viewed by 803
Abstract
This work describes the synthesis, crystal structure, and hydrophobicity tests of four bismuth(III)– and silver(I)–bromide complexes using the triammonium cations diethylenetriaminonium (H3DETA3+) and N,N,N′,N″,N‴-pentamethyldiethylenetriammonium (H3PMDTA3+). The prepared compounds are the 0D perovskites (H3DETA)[BiBr [...] Read more.
This work describes the synthesis, crystal structure, and hydrophobicity tests of four bismuth(III)– and silver(I)–bromide complexes using the triammonium cations diethylenetriaminonium (H3DETA3+) and N,N,N′,N″,N‴-pentamethyldiethylenetriammonium (H3PMDTA3+). The prepared compounds are the 0D perovskites (H3DETA)[BiBr6] (1), (H3DETA)2[AgBr4]Br3 (2), and (H3PMDTA)[BiBr6] (3), as well as the 1D/2D mixed perovskite with minimum formula (H3PMDTA)[Ag3Br6] (4), being the last three novel materials. Compounds 1 and 3 crystallize in the orthorhombic P212121 space group and are discrete [BiBr6]3− units with the cation surrounding them. In both compounds, the bismuth(III) metal ion is found in a distorted octahedral coordination geometry. Compound 2 crystallizes in the monoclinic P21/c space group, and it is a mixed salt consisting of (H3DETA)[AgBr4] and (H3DETA)Br3, whereas the silver(I) complexes are also isolated. Finally, compound 4, which crystallizes in the orthorhombic space group Pbcn, is a combination of a 2D and 1D silver–bromide perovskite, with the cations filling the voids. The 2D structure has the minimal formula [Ag4Br7]3−, with the 1D coordination polymer [Ag2Br5]3− being both built up by a combination of bromide ions acting as tetrahedra corner and edge-sharing bridging ligands. The silver(I) in 2 and 4 is found in a tetrahedral coordination geometry. All compounds were deposited on pristine FTO glass, resulting in an increase in the contact angle from 22° to 44°, 36°, 62°, and 54° for films of 1, 2, 3, and 4, respectively. Compounds 1 and 3 were also deposited onto Cs2AgBiBr6 film, and the contact angles were observed to be the same as when deposited directly onto the FTO cover glass. Full article
(This article belongs to the Special Issue Feature Papers in Compounds (2025))
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18 pages, 8832 KiB  
Article
Modular Soft Sensor Made of Eutectogel and Its Application in Gesture Recognition
by Fengya Fan, Mo Deng and Xi Wei
Biosensors 2025, 15(6), 339; https://doi.org/10.3390/bios15060339 - 27 May 2025
Viewed by 546
Abstract
Soft sensors are designed to be flexible, making them ideal for wearable devices as they can conform to the human body during motion, capturing pertinent information effectively. However, once these wearable sensors are constructed, modifying them is not straightforward without undergoing a re-prototyping [...] Read more.
Soft sensors are designed to be flexible, making them ideal for wearable devices as they can conform to the human body during motion, capturing pertinent information effectively. However, once these wearable sensors are constructed, modifying them is not straightforward without undergoing a re-prototyping process. In this study, we introduced a novel design for a modular soft sensor unit (M2SU) that incorporates a short, wire-shaped sensory structure made of eutectogel, with magnetic blocks at both ends. This design facilitates the easy assembly and reversible integration of the sensor directly onto a wearable device in situ. Leveraging the piezoresistive properties of eutectogel and the dual conductive and magnetic characteristics of neodymium magnets, our sensor unit acts as both a sensing element and a modular component. To explore the practical application of M2SUs in wearable sensing, we equipped a glove with 8 M2SUs. We evaluated its performance across three common gesture recognition tasks: numeric keypad typing (Task 1), symbol drawing (Task 2), and uppercase letter writing (Task 3). Employing a 1D convolutional neural network to analyze the collected data, we achieved task-specific accuracies of 80.43% (Top 3: 97.68%) for Task 1, 88.58% (Top 3: 96.13%) for Task 2, and 79.87% (Top 3: 91.59%) for Task 3. These results confirm that our modular soft sensor design can facilitate high-accuracy gesture recognition on wearable devices through straightforward, in situ assembly. Full article
(This article belongs to the Special Issue Flexible and Stretchable Electronics as Biosensors)
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21 pages, 4642 KiB  
Article
Structure-Based Identification of Natural MTH1 Inhibitors for Breast Cancer Therapy via Molecular Docking and Dynamics Simulations
by Abdullah S. Alawam and Mubarak A. Alamri
Crystals 2025, 15(6), 507; https://doi.org/10.3390/cryst15060507 - 26 May 2025
Viewed by 640
Abstract
Breast cancer is a prevalent malignancy worldwide. Human MutT homolog 1 (MTH1) is over expressed in breast tumors, and cancer cells rely on MTH1 for survival. This protein ensures the integrity of the nucleotide pool by preventing the integration of oxidized 2′-deoxynucleoside triphosphates [...] Read more.
Breast cancer is a prevalent malignancy worldwide. Human MutT homolog 1 (MTH1) is over expressed in breast tumors, and cancer cells rely on MTH1 for survival. This protein ensures the integrity of the nucleotide pool by preventing the integration of oxidized 2′-deoxynucleoside triphosphates (dNTPs) during DNA replication. Therefore, inhibiting MTH1 pharmacologically emerged as a valid target in treating breast cancer. In the present study, we screened biologically active phytochemicals from the NPACT database to discover potential inhibitors of MTH1. Molecular docking analysis was employed to identify the binding conformation and the interaction pattern. The top five compounds were selected for detailed analysis based on their superior binding affinity and interactions with crucial residues (Asn33, Gly36, Tyr7, Phe72, Trp117, Lys23, and Phe27, Glu100) of MTH1. Additionally, the ADMET profile of selected compounds highlighted the high intestinal absorption, low toxicity, and acceptable metabolic stability, exhibiting their potential as drug candidates. Furthermore, in silico validation of selected compounds was performed through molecular dynamics (MD) simulation, which revealed that the resultant complexes are appreciably stable. Compounds revealed RMSD values ranging between 1.0 and 1.5 Å, indicating strong and stable binding conformations. PCA analysis revealed restricted conformational sampling, highlighting stabilization, particularly with ZINC14727630, ZINC14819291, ZINC14781695, and ZINC95099417. MM-GBSA confirmed the stability of the ligand–protein complexes, with ZINC14819291, ZINC14727630, and ZINC95099417 demonstrating the most stable interactions with MTH1, with total binding free energies of −32.46, −45.06, and −33.44 kcal/mol, respectively. Our results support that these natural compounds could act as potential anti-MTH1 for ameliorating the breast cancer. However, experimental validation is required to validate the efficacy of these molecules and robustness of this anticancer approach. Full article
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20 pages, 1178 KiB  
Review
Following the Action of Atypical Antipsychotic Clozapine and Possible Prediction of Treatment Response in Schizophrenia
by Mihai-Gabriel Năstase, Antonia Ioana Vasile, Arina Cipriana Pietreanu and Simona Trifu
Life 2025, 15(6), 830; https://doi.org/10.3390/life15060830 - 22 May 2025
Viewed by 1090
Abstract
We tried to synthesize the possibilities of predicting the response to clozapine treatment, which can significantly improve the efficacy of the active substance and reduce adverse reactions, and how the active substance acts at the D1 dopaminergic receptors D2, D3, D4, and D5, [...] Read more.
We tried to synthesize the possibilities of predicting the response to clozapine treatment, which can significantly improve the efficacy of the active substance and reduce adverse reactions, and how the active substance acts at the D1 dopaminergic receptors D2, D3, D4, and D5, muscarinic M1, M2, M3, and M5, and the histamine and alpha 1 adrenergic receptor, as well as how it contributes to increased cerebral blood flow, the effect on ribosomal protein S6 function, or the effect on kynurenine 3-monooxygenase function. Clozapine is one of the most effective antipsychotics, and there is potential to improve performance by combining it with different compounds to limit adverse effects or by augmenting it with other antipsychotics (amisulpride, paliperidone), other active substances with different properties (minocycline, N-acetylcysteine, memantine), or alternative therapies (electroconvulsive therapy, repetitive transcranial magnetic stimulation). There are also significant steps in optimizing clozapine efficacy by predicting treatment response, which could be determined by testing the following: plasma levels of clozapine N-oxide and N-desmethylclozapine, serum levels of neurotrophins and glutamate, genetic testing, the polygenic risk score, morphometry, or even the identification and accurate determination of persistent negative symptoms. Full article
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