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20 pages, 7623 KiB  
Article
Structural Analysis of Virus Regulatory N6-Methyladenosine (m6A) Machinery of the Black Flying Fox (Pteropus alecto) and the Egyptian Fruit Bat (Rousettus aegyptiacus) Shows Evolutionary Conservation Amongst Mammals
by Asmaa Nasr, Nikki Copeland and Muhammad Munir
Genes 2024, 15(11), 1361; https://doi.org/10.3390/genes15111361 - 23 Oct 2024
Abstract
Background: N6-methyladenosine (m6A) is an abundant RNA epitranscriptomic modification in eukaryotes. The m6A machinery includes cellular writer, eraser and reader proteins that regulate m6A. Pteropus alecto (P. alecto) (the Australian black flying fox) and Rousettus aegyptiacus (R. aegyptiacus) (the [...] Read more.
Background: N6-methyladenosine (m6A) is an abundant RNA epitranscriptomic modification in eukaryotes. The m6A machinery includes cellular writer, eraser and reader proteins that regulate m6A. Pteropus alecto (P. alecto) (the Australian black flying fox) and Rousettus aegyptiacus (R. aegyptiacus) (the Egyptian fruit bat) are bats associated with several viral zoonoses yet neglected in the field of m6A epigenetics studies. Objectives: This study utilises various bioinformatics and in silico tools to genetically identify, characterise and annotate the m6A machinery in P. alecto and R. aegyptiacus. Methods: A range of bioinformatic tools were deployed to comprehensively characterise all known m6A-associated proteins of P. alecto and R. aegyptiacus. Results: Phylogenetically, the m6A fat mass and obesity-associated protein (FTO) eraser placed the order Chiroptera (an order including all bat species) in a separate clade. Additionally, it showed the lowest identity matrices in P. alecto and R. aegyptiacus when compared to other mammals (74.1% and 72.8%) and Homo sapiens (84.0% and 76.1%), respectively. When compared to humans, genetic loci-based analysis of P. alecto and R. aegyptiacus showed syntenic conservation in multiple flanking genes of 8 out the 10 m6A-associated genes. Furthermore, amino acid alignment and protein tertiary structure of the two bats’ m6A machinery demonstrated conservation in the writers but not in erasers and readers, compared to humans. Conclusions: These studies provide foundational annotation and genetic characterisation of m6A machinery in two important species of bats which can be exploited to study bat–virus interactions at the interface of epitranscriptomics. Full article
(This article belongs to the Section Animal Genetics and Genomics)
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19 pages, 3182 KiB  
Article
Differentiated Impacts of Indoor and Outdoor Fitness Environments on Residents’ Activity Intensity: A Perspective on Homo Urbanicus
by Wei Wei, Wenyi Xu and Mengyao Hong
Buildings 2024, 14(10), 3323; https://doi.org/10.3390/buildings14103323 - 21 Oct 2024
Abstract
This study develops a framework for the impact mechanism based on the “homo urbanicus” theoretical perspective, linking indoor and outdoor fitness environmental elements to residents’ subjective perceptions and their activity intensity. An empirical investigation is conducted using structural equation modeling (SEM) with data [...] Read more.
This study develops a framework for the impact mechanism based on the “homo urbanicus” theoretical perspective, linking indoor and outdoor fitness environmental elements to residents’ subjective perceptions and their activity intensity. An empirical investigation is conducted using structural equation modeling (SEM) with data from 286 valid questionnaires (N = 421). The results demonstrate that both indoor and outdoor fitness environmental elements—specifically spatial, facility, and environmental factors—significantly positively influence residents’ fitness activity intensity, with this relationship mediated by perceptions of safety, convenience, comfort, and aesthetics. Furthermore, the study uncovers variations in the types and degrees of influence across indoor and outdoor settings. Based on these findings, the author proposes several planning and design strategies: “In indoor environments, it is essential to ensure that fitness spaces feature bright lighting and thoughtful design to enhance aesthetic appeal; additionally, optimizing spatial layouts and integrating information services can foster greater social interaction. For outdoor environments, prioritizing locations near aesthetically pleasing architecture, adjacent to blue landscapes, and within open areas, as well as sites that are close to community amenities and abundant surrounding facilities, will enhance residents’ fitness activity intensity”. Full article
(This article belongs to the Special Issue Art and Design for Healing and Wellness in the Built Environment)
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13 pages, 3320 KiB  
Communication
Colossal Dielectric Constant of Nanocrystalline/Amorphous Homo-Composite BaTiO3 Films Deposited via Pulsed Laser Deposition Technique
by Shinya Kondo, Taichi Murakami, Loick Pichon, Joël Leblanc-Lavoie, Takashi Teranishi, Akira Kishimoto and My Ali El Khakani
Nanomaterials 2024, 14(20), 1677; https://doi.org/10.3390/nano14201677 - 18 Oct 2024
Viewed by 339
Abstract
We report the pulsed laser deposition (PLD) of nanocrystalline/amorphous homo-composite BaTiO3 (BTO) films exhibiting an unprecedented combination of a colossal dielectric constant (εr) and extremely low dielectric loss (tan δ). By varying the substrate deposition temperature (T [...] Read more.
We report the pulsed laser deposition (PLD) of nanocrystalline/amorphous homo-composite BaTiO3 (BTO) films exhibiting an unprecedented combination of a colossal dielectric constant (εr) and extremely low dielectric loss (tan δ). By varying the substrate deposition temperature (Td) over a wide range (300–800 °C), we identified Td = 550 °C as the optimal temperature for growing BTO films with an εr as high as ~3060 and a tan δ as low as 0.04 (at 20 kHz). High-resolution transmission electron microscopy revealed that the PLD-BTO films consist of BTO nanocrystals (~20–30 nm size) embedded within an otherwise amorphous BTO matrix. The impressive dielectric behavior is attributed to the combination of highly crystallized small BTO nanograins, which amplify interfacial polarization, and the surrounding amorphous matrix, which effectively isolates the nanograins from charge carrier transport. Our findings could facilitate the development of next-generation integrated dielectric devices. Full article
(This article belongs to the Section Nanocomposite Materials)
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13 pages, 252 KiB  
Article
Values in Narratives: Religious Education as an Exercise in Emotional Rationality
by Ivan Dodlek
Religions 2024, 15(10), 1283; https://doi.org/10.3390/rel15101283 - 18 Oct 2024
Viewed by 265
Abstract
The domain of education deals with the issue of the possibility of a person’s development so that the person would learn to become more human through the educational process. An integral part of a person’s development is first and foremost the dimension of [...] Read more.
The domain of education deals with the issue of the possibility of a person’s development so that the person would learn to become more human through the educational process. An integral part of a person’s development is first and foremost the dimension of an individual’s integration into society. Education for values plays an indispensable role in education. The technical aspect of education—as John Macmurray described it—has its foundation in instrumental rationality, aiming at the realization of utilitarian values in order to achieve the necessary social cooperation for the purpose of an easier coexistence. That so-called instrumental conception of life has given birth to a special type of the contemporary human being, homo faber. If, however, we strive to achieve the complete development of a human being through education, which is more fully realized only in the communion of people in the forms of friendship, fellowship and love, this instrumental conception requires enrichment through a communitarian conception of life, aimed at the realization of intrinsic values. In that sense, this article explores the contemplative and relational aspects of education from the perspective of religious education, which, according to John Macmurray, are based on the emotional level of rationality which results in the acquisition and adoption of intrinsic individual and inter-individual values. The aim of this article is to show that when it comes to education, these values are best conveyed through narratives. The article also attempts to shed light on the way students internalize and personalize intrinsic values through their emotional familiarity with the narratives, and especially with the value of reciprocity, which is key to authentic religious practice, and thus also to ethical awareness, which is important for the formation of moral awareness and character of a human being. Furthermore, the article explores the extent to which narratives as a form of religious knowledge are important in religious education, and in which they contribute to the formation of students’ opinions, attitudes and identities as transmitters of religious truths. Narratives notably carry a strong potential for the spiritual transformation of one’s personal and social life in such a way that they can motivate students to accept and realize certain religious and moral practices through experiential touching of values. Examples of narratives used in religious education textbooks in secondary schools in Croatia reveal how much they actually contribute to the goals of religious education in terms of education for intrinsic individual and inter-individual values. Full article
(This article belongs to the Special Issue Contemporary Practices and Issues in Religious Education)
10 pages, 2952 KiB  
Brief Report
The HOMO-LUMO Gap as Discriminator of Biotic from Abiotic Chemistries
by Roman Abrosimov and Bernd Moosmann
Life 2024, 14(10), 1330; https://doi.org/10.3390/life14101330 - 18 Oct 2024
Viewed by 239
Abstract
Low-molecular-mass organic chemicals are widely discussed as potential indicators of life in extraterrestrial habitats. However, demarcation lines between biotic chemicals and abiotic chemicals have been difficult to define. Here, we have analyzed the potential utility of the quantum chemical property, HOMO-LUMO gap (HLG), [...] Read more.
Low-molecular-mass organic chemicals are widely discussed as potential indicators of life in extraterrestrial habitats. However, demarcation lines between biotic chemicals and abiotic chemicals have been difficult to define. Here, we have analyzed the potential utility of the quantum chemical property, HOMO-LUMO gap (HLG), as a novel proxy variable of life, since a significant trend towards incrementally smaller HLGs has been described in the genetically encoded amino acids. The HLG is a zeroth-order predictor of chemical reactivity. Comparing a set of 134 abiotic organic molecules recovered from meteorites, with 570 microbial and plant secondary metabolites thought to be exclusively biotic, we found that the average HLG of biotic molecules was significantly narrower (−10.4 ± 0.9 eV versus −12.4 ± 1.6 eV), with an effect size of g = 1.87. Limitation to hydrophilic molecules (XlogP < 2) improved the separation of biotic from abiotic compounds (g = 2.52). The “hydrophilic reactivity” quadrant defined by |HLG| < 11.25 eV and XlogP < 2 was populated exclusively by 183 biotic compounds and 6 abiotic compounds, 5 of which were nucleobases. We conclude that hydrophilic molecules with small HLGs represent valuable indicators of biotic activity, and we discuss the evolutionary plausibility of this inference. Full article
(This article belongs to the Special Issue Feature Papers in Origins of Life 2024)
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13 pages, 1545 KiB  
Article
Phase-Sensitive Fluorescence Image Correlation Spectroscopy
by Andrew H. A. Clayton
Int. J. Mol. Sci. 2024, 25(20), 11165; https://doi.org/10.3390/ijms252011165 - 17 Oct 2024
Viewed by 173
Abstract
Fluorescence lifetime imaging microscopy is sensitive to molecular interactions and environments. In homo-dyne frequency-domain fluorescence lifetime imaging microscopy, images of fluorescence objects are acquired at different phase settings of the detector. The detected intensity as a function of detector phase is a sinusoidal [...] Read more.
Fluorescence lifetime imaging microscopy is sensitive to molecular interactions and environments. In homo-dyne frequency-domain fluorescence lifetime imaging microscopy, images of fluorescence objects are acquired at different phase settings of the detector. The detected intensity as a function of detector phase is a sinusoidal function that is sensitive to the lifetime of the fluorescent species. In this paper, the theory of phase-sensitive fluorescence image correlation spectroscopy is described. In this version of lifetime imaging, image correlation spectroscopy analysis (i.e., spatial autocorrelation) is applied to successive fluorescence images acquired at different phase settings of the detector. Simulations of different types of lifetime distributions reveal that the phase-dependent density of fluorescent objects is dependent on the heterogeneity of lifetimes present in the objects. We provide an example of this analysis workflow to a cervical cancer cell stained with a fluorescent membrane probe. Full article
(This article belongs to the Collection Feature Papers in Molecular Biophysics)
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17 pages, 7186 KiB  
Article
Fumed-Si-Pr-Ald-Barb as a Fluorescent Chemosensor for the Hg2+ Detection and Cr2O72− Ions: A Combined Experimental and Computational Perspective
by Ghodsi Mohammadi Ziarani, Mahtab Rezakhani, Mehran Feizi-Dehnayebi and Stoyanka Nikolova
Molecules 2024, 29(20), 4825; https://doi.org/10.3390/molecules29204825 - 11 Oct 2024
Viewed by 439
Abstract
The surface of fumed silica nanoparticles was modified by pyridine carbaldehyde and barbituric acid to provide fumed-Si-Pr-Ald-Barb. The structure was identified and investigated through diverse techniques, such as FT-IR, EDX, Mapping, BET, XRD, SEM, and TGA. This nanocomposite was used to detect different [...] Read more.
The surface of fumed silica nanoparticles was modified by pyridine carbaldehyde and barbituric acid to provide fumed-Si-Pr-Ald-Barb. The structure was identified and investigated through diverse techniques, such as FT-IR, EDX, Mapping, BET, XRD, SEM, and TGA. This nanocomposite was used to detect different cations and anions in a mixture of H2O:EtOH. The results showed that fumed-Si-Pr-Ald-Barb can selectively detect Hg2+ and Cr2O72− ions. The detection limits were calculated at about 5.4 × 10−3 M for Hg2+ and 3.3 × 10−3 M for Cr2O72− ions. A computational method (DFT) was applied to determine the active sites on the Pr-Ald-Barb for electrophilic and nucleophilic attacks. The HOMO-LUMO molecular orbital was calculated by B3LYP/6-311G(d,p)/LANL2DZ theoretical methods. The energy gap for the Pr-Ald-Barb and Pr-Ald-Barb+ion complexes was predicted by the EHOMO and ELUMO values. The DFT calculation confirms the suggested experimental mechanism for interacting the Pr-Ald-Barb with ions. Full article
(This article belongs to the Special Issue Applications of Fluorescent Sensors in Food and Environment)
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19 pages, 7160 KiB  
Article
Optical, Photophysical, and Electroemission Characterization of Blue Emissive Polymers as Active Layer for OLEDs
by Despoina Tselekidou, Kyparisis Papadopoulos, Konstantinos C. Andrikopoulos, Aikaterini K. Andreopoulou, Joannis K. Kallitsis, Stergios Logothetidis, Argiris Laskarakis and Maria Gioti
Nanomaterials 2024, 14(20), 1623; https://doi.org/10.3390/nano14201623 - 10 Oct 2024
Viewed by 403
Abstract
Polymers containing π-conjugated segments are a diverse group of large molecules with semiconducting and emissive properties, with strong potential for use as active layers in Organic Light-Emitting Diodes (OLEDs). Stable blue-emitting materials, which are utilized as emissive layers in solution-processed OLED devices, are [...] Read more.
Polymers containing π-conjugated segments are a diverse group of large molecules with semiconducting and emissive properties, with strong potential for use as active layers in Organic Light-Emitting Diodes (OLEDs). Stable blue-emitting materials, which are utilized as emissive layers in solution-processed OLED devices, are essential for their commercialization. Achieving balanced charge injection is challenging due to the wide bandgap between the HOMO and LUMO energy levels. This study examines the optical and photophysical characteristics of blue-emitting polymers to contribute to the understanding of the fundamental mechanisms of color purity and its stability during the operation of OLED devices. The investigated materials are a novel synthesized lab scale polymer, namely poly[(2,7-di(p-acetoxystyryl)-9-(2-ethylhexyl)-9H-carbazole-4,4′-diphenylsulfone)-co-poly(2,6-diphenylpyrydine-4,4′-diphenylsulfone] (CzCop), as well as three commercially supplied materials, namely Poly(9,9-di-n-octylfluorenyl-2,7-diyl) (PFO), poly[9,9-bis(2′-ethylhexyl) fluorene-2,7-diyl] (PBEHF), and poly (9,9-n-dihexyl-2,7-fluorene-alt-9-phenyl-3,6-carbazole) (F6PC). The materials were compared to evaluate their properties using Spectroscopic Ellipsometry, Photoluminescence, and Atomic Force Microscopy (AFM). Additionally, the electrical characteristics of the OLED devices were investigated, as well as the stability of the electroluminescence emission spectrum during the device’s operation. Finally, the determined optical properties, combined with their photo- and electro-emission characteristics, provided significant insights into the color stability and selectivity of each material. Full article
(This article belongs to the Special Issue Photofunctional Nanomaterials and Nanostructures)
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18 pages, 8881 KiB  
Article
Investigation of Structural and Spectral Peculiarities of Fusarium sp. Indicator Pigment Bostrycoidin
by Anastasia Povolotckaia, Dmitrii Pankin, Vasiliy Novikov, Evgenii Borisov, Sergey Kuznetsov, Alexey Dorokhov, Anatoly Gulyaev, Elena Zavyalova, Rugiya Alieva, Sergey Akulov, Sergey Belousov and Maksim Moskovskiy
Molecules 2024, 29(19), 4765; https://doi.org/10.3390/molecules29194765 - 8 Oct 2024
Viewed by 494
Abstract
Bostrycoidin is one of the pigments produced by the Fusarium genus of fungi. On the one hand, it has significant pharmacological importance, while on the other hand, it serves as a presence marker of Fusarium infection in useful grain crops, fruits, and soils. [...] Read more.
Bostrycoidin is one of the pigments produced by the Fusarium genus of fungi. On the one hand, it has significant pharmacological importance, while on the other hand, it serves as a presence marker of Fusarium infection in useful grain crops, fruits, and soils. In this regard, the structural and optical properties of the bostrycoidin molecule were studied in the framework of density functional theory (DFT). The most stable geometry as well as higher-energy conformers and tautomers were investigated. The lowest-energy tautomer was found to be about 3 kcal/mol higher in energy than the most stable structure, resulting in relatively low population of this state. The obtained conformational rotamers associated with the rotation of the OMe group possess similar energy. The vibrational spectrum was modeled for the most stable conformer, and the most active peaks in the IR absorbance spectrum were assigned. Moreover, the electronic absorption spectrum was simulated within the time-dependent DFT approach. The obtained theoretical spectrum is in good agreement with the experimental data and the theoretically calculated longest-wavelength transition (HOMO–LUMO) was about 498 nm. Full article
(This article belongs to the Section Molecular Structure)
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15 pages, 282 KiB  
Article
Negotiating the Affordance of Greco-Roman Spiritual Exercise for Community Flourishing: From and beyond Foucauldian Care of the Self
by Yulong Li and Zhen Chen
Religions 2024, 15(10), 1215; https://doi.org/10.3390/rel15101215 - 7 Oct 2024
Viewed by 502
Abstract
The worldwide launch of neoliberalism ushered everyone into an atomized society. Neoliberalism transforms Homo sapiens into Homo economicus, a narcissistic self-entrepreneur that positions their body as a factory, skills as resources, and earnings as products while relying less on others. Such atomization of [...] Read more.
The worldwide launch of neoliberalism ushered everyone into an atomized society. Neoliberalism transforms Homo sapiens into Homo economicus, a narcissistic self-entrepreneur that positions their body as a factory, skills as resources, and earnings as products while relying less on others. Such atomization of individuals undermines the community. Following the Cartesian moment, enlightenment, and postmodernism’s later wave, the world is disenchanted, deprived of unity in the form of community fragmentation. Foucault offered a Greco–Roman philosophical remedy for contemporary society, focusing on the formulation of ‘Spiritual-Corporality’ through the practice of care of the self. Foucault believed the one who takes good care of himself is often self-assured of his ability, expectations, and missions in relationships with others, he does not resort to tyranny in those relationships, giving him an ethical advantage in caring for his family and fellow citizens. If everyone strives to take care of themselves, the city-state will prosper. However, Foucault relied on Stoic philosophy over other ancient schools and failed to provide concrete practices on how to bind ourselves with others through care of the self. In partial agreement with Foucault, the present study chooses Hadot’s spiritual exercise as a more accurate terminology to justify Greco–Roman philosophies’ affordance to contemporary social unification. After reviewing the philosophies of Aristotle, the Stoics, and Epicurus, the present study selected the spiritual exercises of ‘hitting the mean as deliberation’, ‘reframing of self’, and ‘thinking outside the box’ as suitable practices for community flourishing. Full article
(This article belongs to the Special Issue Spirituality for Community in a Time of Fragmentation)
16 pages, 739 KiB  
Article
Homo Climaticus vs. Homo Religiosus: The Interplay of Archetypes
by Kristaps Zariņš and Emīls Georgs Siders
Religions 2024, 15(10), 1208; https://doi.org/10.3390/rel15101208 - 4 Oct 2024
Viewed by 413
Abstract
In the modern era, we increasingly encounter threats and challenges caused by climate change, and as a result, “green” thinking has become a necessity in every person’s life. It is believed that environmentally focused thinking can be invigorated with the help of Homo [...] Read more.
In the modern era, we increasingly encounter threats and challenges caused by climate change, and as a result, “green” thinking has become a necessity in every person’s life. It is believed that environmentally focused thinking can be invigorated with the help of Homo Climaticus, who is defined as a rational person in a climate crisis. However, it must be recognized that to understand the essence of Homo Climaticus, it must be compared with other archetypes. Within the framework of this article, the authors have evaluated the interaction between Homo Climaticus and Homo Religiosus in the context of environmental management. The analysis of these archetypes outlines the synergies and conflicts that arise from the fundamental differences in the worldviews of these archetypes, although both are committed to preserving the environment. Homo Climaticus is fundamentally based on science and data related to environmental management, whereas Homo Religiosus is motivated by faith-based ethics and the moral necessity to protect the world created by God. Recognizing and utilizing the strengths of both these archetypes can create more effective environmental management. Such an interdisciplinary approach indicates that collaboration between scientific and religious communities can provide a comprehensive strategy for addressing global environmental issues. Full article
(This article belongs to the Section Religions and Health/Psychology/Social Sciences)
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15 pages, 8608 KiB  
Article
Synthesis, Crystal Structure and Antifungal Activity of (E)-1-(4-Methylbenzylidene)-4-(3-Isopropylphenyl) Thiosemicarbazone: Quantum Chemical and Experimental Studies
by Haitao Ren, Fan Qi, Yuzhen Zhao, Abdelkader Labidi and Zongcheng Miao
Molecules 2024, 29(19), 4702; https://doi.org/10.3390/molecules29194702 - 4 Oct 2024
Viewed by 443
Abstract
A novel (E)-1-(4-methylbenzylidene)-4-(3-isopropylphenyl) thiosemicarbazone was synthesized in a one-pot four-step synthetic route. Fourier transform infrared spectroscopy (FTIR), 1H and 13C nuclear magnetic resonances (NMR), single-crystal X-ray diffraction, and UV-visible absorption spectroscopy were utilized to confirm the successful preparation of [...] Read more.
A novel (E)-1-(4-methylbenzylidene)-4-(3-isopropylphenyl) thiosemicarbazone was synthesized in a one-pot four-step synthetic route. Fourier transform infrared spectroscopy (FTIR), 1H and 13C nuclear magnetic resonances (NMR), single-crystal X-ray diffraction, and UV-visible absorption spectroscopy were utilized to confirm the successful preparation of the title compound. Single-crystal data indicated that the intramolecular hydrogen bond N(3)-H(3)···N(1) and intermolecular hydrogen bond N(2)-H(2)···S(1) (1 − x, 1 − y, 1 − z) existed in the crystal structure and packing of the title compound. Besides the covalent interaction, the non-covalent weak intramolecular hydrogen bond N(3)-H(3)···N(1) discussed by atoms in molecules (AIM) theory also functioned in maintaining the title compound’s crystal structure. The strong intermolecular hydrogen bond N(2)-H(2)···S(1) (1 − x, 1 − y, 1 − z) discussed by Hirshfeld surface analysis played a major role in maintaining the title compound’s crystal packing. The local maximum and minimum electrostatic potential of the title compound was predicted by electrostatic potential (ESP) analysis. The UV-visible spectra and HOMO-LUMO analysis revealed that the title compound has a low ΔEHOMO–LUMO energy gap (3.86 eV), which implied its high chemical reactivity due to the easy occurrence of charge transfer interactions within the molecule. Molecular docking and in vitro antifungal assays evidenced that its antifungal activity is comparable to the reported pyrimethanil, indicating its usage as a potential candidate for future antifungal drugs. Full article
(This article belongs to the Section Molecular Structure)
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13 pages, 16328 KiB  
Article
Exploring DIX-DIX Homo- and Hetero-Oligomers in Wnt Signaling with AlphaFold2
by Zehua Wen, Lei Wang, Shi-Wei Liu, Hua-Jun Shawn Fan, Jong-Won Song and Ho-Jin Lee
Cells 2024, 13(19), 1646; https://doi.org/10.3390/cells13191646 - 3 Oct 2024
Viewed by 550
Abstract
Wnt signaling is involved in embryo development and cancer. The binding between the DIX domains of Axin1/2, Dishevelled1/2/3, and Coiled-coil-DIX1 is essential for Wnt/β-catenin signaling. Structural and biological studies have revealed that DIX domains are polymerized through head-to-tail interface interactions, which are indispensable [...] Read more.
Wnt signaling is involved in embryo development and cancer. The binding between the DIX domains of Axin1/2, Dishevelled1/2/3, and Coiled-coil-DIX1 is essential for Wnt/β-catenin signaling. Structural and biological studies have revealed that DIX domains are polymerized through head-to-tail interface interactions, which are indispensable for activating β-catenin Wnt signaling. Although different isoforms of Dvl and Axin proteins display both redundant and specific functions in Wnt signaling, the specificity of DIX-mediated interactions remains unclear due to technical challenges. Using AlphaFold2(AF2), we predict the structures of 6 homodimers and 22 heterodimers of DIX domains without templates and compare them with the reported X-ray complex structures. PRODIGY is used to calculate the binding affinities of these DIX complexes. Our results show that the Axin2 DIX homodimer has a stronger binding affinity than the Axin1 DIX homodimer. Among Dishevelled (Dvl) proteins, the binding affinity of the Dvl1 DIX homodimer is stronger than that of Dvl2 and Dvl3. The Coiled-coil-DIX1(Ccd1) DIX homodimer shows weaker binding than the Axin1 DIX homodimer. Generally, heterodimer interactions tend to be stronger than those of homodimers. Our findings provide insights into the mechanism of the Wnt signaling pathway and highlight the potential of AF2 and PRODIGY for studying protein–protein interactions in signaling pathways. Full article
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11 pages, 1252 KiB  
Article
The Relationship of the Lower Ribcage with Liver and Gut Size: Implications for Paleoanthropology
by Jeanelle Uy, Gabrielė Beresnevičiūtė and Vyvy Nguyen
Humans 2024, 4(4), 310-320; https://doi.org/10.3390/humans4040020 - 1 Oct 2024
Viewed by 471
Abstract
Organ–skeleton relationships are understudied in biological anthropology. The torso skeleton is often used to infer the organ size and evolution in hominins; ribcage “types”, in particular, are used to infer the abdominal organ size in hominins. This study is a quantitative examination of [...] Read more.
Organ–skeleton relationships are understudied in biological anthropology. The torso skeleton is often used to infer the organ size and evolution in hominins; ribcage “types”, in particular, are used to infer the abdominal organ size in hominins. This study is a quantitative examination of the relationship between the lower ribcage and two organs: the liver and the intestines (“gut”) in humans. Specifically, we test whether the ribcage breadth, shape, and “flare”, at the level of rib 10, covaries with the liver volume and gut volume in Homo sapiens. Liver size, gut size, and ribcage measurements are taken from CT scans (N = 61). The results show sex differences in the gut–ribcage relationship. The gut volume is associated with ribcage breadth and flare in both sexes. The liver volume is not associated with any ribcage measurements. We conclude that sex differences in the organ–skeleton relationship complicate the previous simplistic view that the size of the liver or the gut could be inferred through a fossil’s ribcage type. Biological anthropologists should continue to explore sex differences in organ–skeleton relationships, when attempting to understand the evolution of visceral organs and the torso. Full article
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58 pages, 15704 KiB  
Review
Rydberg-State Double-Well Potentials of Van der Waals Molecules
by Tomasz Urbańczyk, Andrzej Kędziorski, Marek Krośnicki and Jarosław Koperski
Molecules 2024, 29(19), 4657; https://doi.org/10.3390/molecules29194657 - 30 Sep 2024
Viewed by 345
Abstract
Recent progress in studies of Rydberg double-well electronic energy states of MeNg (Me = 12-group atom, Ng = noble gas atom) van der Waals (vdW) molecules is presented and analysed. The presentation covers approaches in experimental studies as well as ab initio-calculations of [...] Read more.
Recent progress in studies of Rydberg double-well electronic energy states of MeNg (Me = 12-group atom, Ng = noble gas atom) van der Waals (vdW) molecules is presented and analysed. The presentation covers approaches in experimental studies as well as ab initio-calculations of potential energy curves (PECs). The analysis is shown in a broader context of Rydberg states of hetero- and homo-diatomic molecules with PECs possessing complex ‘exotic’ structure. Laser induced fluorescence (LIF) excitation spectra and dispersed emission spectra employed in the spectroscopical characterization of Rydberg states are presented on the background of the diverse spectroscopic methods for their investigations such as laser vaporization–optical resonance (LV-OR), pump-and-probe methods, and polarization labelling spectroscopy. Important and current state-of-the-art applications of Rydberg states with irregular potentials in photoassociation (PA), vibrational and rotational cooling, molecular clocks, frequency standards, and molecular wave-packet interferometry are highlighted. Full article
(This article belongs to the Section Physical Chemistry)
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