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18 pages, 4470 KiB  
Article
Cloning, Heterologous Expression, and Antifungal Activity Evaluation of a Novel Truncated TasA Protein from Bacillus amyloliquefaciens BS-3
by Li-Ming Dai, Li-Li He, Lan-Lan Li, Yi-Xian Liu, Yu-Ping Shi, Hai-Peng Su and Zhi-Ying Cai
Int. J. Mol. Sci. 2025, 26(15), 7529; https://doi.org/10.3390/ijms26157529 (registering DOI) - 4 Aug 2025
Abstract
TasA gene, encoding a functional amyloid protein critical for biofilm formation and antimicrobial activity, was cloned from the endophytic strain Bacillus amyloliquefaciens BS-3, isolated from rubber tree roots. This study identified the shortest functional TasA variant (483 bp, 160 aa) reported to date, [...] Read more.
TasA gene, encoding a functional amyloid protein critical for biofilm formation and antimicrobial activity, was cloned from the endophytic strain Bacillus amyloliquefaciens BS-3, isolated from rubber tree roots. This study identified the shortest functional TasA variant (483 bp, 160 aa) reported to date, featuring unique amino acid substitutions in conserved domains. Bioinformatics analysis predicted a signal peptide (1–27 aa) and transmembrane domain (7–29 aa), which were truncated to optimize heterologous expression. Two prokaryotic vectors (pET28a and pCZN1) were constructed, with pCZN1-TasA expressed solubly in Escherichia coli Arctic Express at 15 °C, while pET28a-TasA formed inclusion bodies at 37 °C. Purified recombinant TasA exhibited potent antifungal activity, achieving 98.6% ± 1.09 inhibition against Colletotrichum acutatum, 64.77% ± 1.34 against Alternaria heveae. Notably, TasA completely suppressed spore germination in C. acutatum and Oidium heveae Steinmannat 60 μg/mL. Structural analysis via AlphaFold3 revealed that truncation enhanced protein stability. These findings highlight BS-3-derived TasA as a promising biocontrol agent, providing molecular insights for developing protein-based biopesticides against rubber tree pathogens. Full article
(This article belongs to the Section Biochemistry)
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11 pages, 1053 KiB  
Communication
Understanding Room-Temperature Ductility of Bcc Refractory Alloys from Their Atomistic-Level Features
by Jiayi Yan and Cheng Fu
Metals 2025, 15(8), 851; https://doi.org/10.3390/met15080851 - 30 Jul 2025
Viewed by 153
Abstract
Many bcc refractory alloys show excellent high-temperature mechanical properties, while their fabricability can be limited by brittleness near room temperature. For the purpose of predicting ductile alloys, a number of ductility metrics based on atomic structures and crystal properties, ranging from mechanistic to [...] Read more.
Many bcc refractory alloys show excellent high-temperature mechanical properties, while their fabricability can be limited by brittleness near room temperature. For the purpose of predicting ductile alloys, a number of ductility metrics based on atomic structures and crystal properties, ranging from mechanistic to empirical, have been proposed. In this work, we propose an “average bond stiffness” as a new ductility metric that is also convenient to obtain from first-principles calculations, in addition to using the average magnitude of static displacements of atoms. The usefulness of average bond stiffness is validated by comparing first-principles calculation results to experimental data on the “rhenium effect” in Mo/W-base and V/Nb/Ta-base binary alloys. The average bond stiffness also correlates well with the room-temperature ductility of refractory high-entropy alloys, with a better performance than some ductility metrics previously reported. While in reality the ductility of an alloy can be influenced by many factors, from processing and microstructure, the average magnitude of static displacements and the average bond stiffness are atomistic-level features useful for design of alloy composition towards a desired level of ductility. Full article
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25 pages, 22731 KiB  
Article
Scalable and Efficient GCL Scheduling for Time-Aware Shaping in Autonomous and Cyber-Physical Systems
by Chengwei Zhang and Yun Wang
Future Internet 2025, 17(8), 321; https://doi.org/10.3390/fi17080321 - 22 Jul 2025
Viewed by 225
Abstract
The evolution of the internet towards supporting time-critical applications, such as industrial cyber-physical systems (CPSs) and autonomous systems, has created an urgent demand for networks capable of providing deterministic, low-latency communication. Autonomous vehicles represent a particularly challenging use case within this domain, requiring [...] Read more.
The evolution of the internet towards supporting time-critical applications, such as industrial cyber-physical systems (CPSs) and autonomous systems, has created an urgent demand for networks capable of providing deterministic, low-latency communication. Autonomous vehicles represent a particularly challenging use case within this domain, requiring both reliability and determinism for massive data streams—a requirement that traditional Ethernet technologies cannot satisfy. This paper addresses this critical gap by proposing a comprehensive scheduling framework based on Time-Aware Shaping (TAS) within the Time-Sensitive Networking (TSN) standard. The framework features two key contributions: (1) a novel baseline scheduling algorithm that incorporates a sub-flow division mechanism to enhance schedulability for high-bandwidth streams, computing Gate Control Lists (GCLs) via an iterative SMT-based method; (2) a separate heuristic-based computation acceleration algorithm to enable fast, scalable GCL generation for large-scale networks. Through extensive simulations, the proposed baseline algorithm demonstrates a reduction in end-to-end latency of up to 59% compared to standard methods, with jitter controlled at the nanosecond level. The acceleration algorithm is shown to compute schedules for 200 data streams in approximately one second. The framework’s effectiveness is further validated on a real-world TSN hardware testbed, confirming its capability to achieve deterministic transmission with low latency and jitter in a physical environment. This work provides a practical and scalable solution for deploying deterministic communication in complex autonomous and cyber-physical systems. Full article
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13 pages, 1527 KiB  
Article
Ethnic-Specific and UV-Independent Mutational Signatures of Basal Cell Carcinoma in Koreans
by Ye-Ah Kim, Seokho Myung, Yueun Choi, Junghyun Kim, Yoonsung Lee, Kiwon Lee, Bark-Lynn Lew, Man S. Kim and Soon-Hyo Kwon
Int. J. Mol. Sci. 2025, 26(14), 6941; https://doi.org/10.3390/ijms26146941 - 19 Jul 2025
Viewed by 306
Abstract
Basal cell carcinoma (BCC), the most common skin cancer, is primarily driven by Hedgehog (Hh) and TP53 pathway alterations. Although additional pathways were implicated, the mutational landscape in Asian populations, particularly Koreans, remains underexplored. We performed whole-exome sequencing of BCC tumor tissues from [...] Read more.
Basal cell carcinoma (BCC), the most common skin cancer, is primarily driven by Hedgehog (Hh) and TP53 pathway alterations. Although additional pathways were implicated, the mutational landscape in Asian populations, particularly Koreans, remains underexplored. We performed whole-exome sequencing of BCC tumor tissues from Korean patients and analyzed mutations in 11 established BCC driver genes (PTCH1, SMO, GLI1, TP53, CSMD1/2, NOTCH1/2, ITIH2, DPP10, and STEAP4). Mutational profiles were compared with Caucasian cohort profiles to identify ethnicity-specific variants. Ultraviolet (UV)-exposed and non-UV-exposed tumor sites were compared; genes unique to non-UV-exposed tumors were further analyzed with protein–protein interaction analysis. BCCs in Koreans exhibited distinct features, including fewer truncating and more intronic variants compared to Caucasians. Korean-specific mutations in SMO, PTCH1, TP53, and NOTCH2 overlapped with oncogenic gain-of-function/loss-of-function (GOF/LOF) variants annotated in OncoKB, with some occurring at hotspot sites. BCCs in non-exposed areas showed recurrent mutations in CSMD1, PTCH1, and NOTCH1, suggesting a UV-independent mechanism. Novel mutations in TAS1R2 and ADCY10 were exclusive to non-exposed BCCs, with protein–protein interaction analysis linking them to TP53 and NOTCH2. We found unique ethnic-specific and UV-independent mutational profiles of BCCs in Koreans. TAS1R2 and ADCY10 may contribute to tumorigenesis of BCC in non-exposed areas, supporting the need for population-specific precision oncology. Full article
(This article belongs to the Special Issue Skin Cancer: From Molecular Pathophysiology to Novel Treatment)
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18 pages, 2337 KiB  
Article
Thermoplastic and Biocompatible Materials Based on Block Copolymers of Chitosan and Poly(ε-caprolactone)
by Ivan Lednev, Sergey Zaitsev, Ekaterina Maltseva, Roman Kovylin and Larisa Smirnova
Polysaccharides 2025, 6(3), 63; https://doi.org/10.3390/polysaccharides6030063 - 16 Jul 2025
Viewed by 427
Abstract
The development of materials based on chitosan and polyesters that possess thermoplastic, biocompatible, and biodegradable properties is a perspective for additive technologies in biomedicine. Research on obtaining such compositions is constrained because the polysaccharide content does not exceed 5 wt.%, which cannot ensure [...] Read more.
The development of materials based on chitosan and polyesters that possess thermoplastic, biocompatible, and biodegradable properties is a perspective for additive technologies in biomedicine. Research on obtaining such compositions is constrained because the polysaccharide content does not exceed 5 wt.%, which cannot ensure effective tissue regeneration. Herein, we propose a method for obtaining thermoplastic block copolymers based on chitosan and poly(ε-caprolactone) by ultrasonic irradiation of a homogeneous solution of a homopolymer mixture in dimethyl sulfoxide as a common solvent, achieving a yield of 99%. The distinctive feature of the method is the interaction between the components at the molecular level and provides obtaining copolymers at any component ratio. SEM images revealed a homogeneous structure without structural defects in both solvent-cast films and extruded filaments. The block copolymers were characterized by high mechanical property tensile strength of up to 60–70 MPa and elasticity of up to 35% for films and 25–40 MPa and elasticity of up to 50% for filaments. Cell adhesion of composition investigated on fibroblast cells (hTERT BJ-5TA) is at the level of chitosan and demonstrated the absence of cytotoxicity. Full article
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16 pages, 7105 KiB  
Article
A Comprehensive Method for Calculating Maritime Radar Identification Probability Using 3D Marine Geographical Feature Models
by Hao Meng, Li-Hua Zhang, Hai Hu, Shi-Jun Rao and Bao-Hui Gao
Appl. Sci. 2025, 15(14), 7921; https://doi.org/10.3390/app15147921 - 16 Jul 2025
Viewed by 167
Abstract
To overcome the limitations of existing maritime radar identification analysis methods, which are only applicable to sea-skimming aircraft and fail to quantitatively calculate the probability of radar correctly identifying the target under electromagnetic influence from marine geographical features (MGFs), an advanced method is [...] Read more.
To overcome the limitations of existing maritime radar identification analysis methods, which are only applicable to sea-skimming aircraft and fail to quantitatively calculate the probability of radar correctly identifying the target under electromagnetic influence from marine geographical features (MGFs), an advanced method is proposed for calculating the radar identification probability in marine areas using 3D MGF models. The method first established the radar identification criteria in 3D space, considering radar line of sight (LOS), radar target adhesion (RTA), and radar resolutions in range, azimuth angle, and elevation angle. It then comprehensively analyzed errors from both the aircraft and MGFs. Finally, the probability of a target at a specific marine location being correctly identified by radar was calculated using the Monte Carlo method. Theoretical derivations and simulation results demonstrated that: (1) Unlike existing methods limited to sea-skimming aircraft, the proposed method is applicable to aircraft at any altitude, better aligning with current aircraft performance and requirements; (2) While existing methods provide only a binary result of “identified” or “unidentified,” the proposed method offers a probability value. For the same marine location point Ta, the proposed method yields radar identification probabilities of 0.0877 for sea-skimming aircraft and 0.5887 for high-altitude aircraft, providing more precise and intuitive decision-making support for mission planners. Full article
(This article belongs to the Section Marine Science and Engineering)
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13 pages, 3313 KiB  
Article
CT Texture Patterns Reflect HPV Status but Not Histological Differentiation in Oropharyngeal Squamous Cell Carcinoma
by Lays Assolini Pinheiro de Oliveira, Caio Elias Irajaya Lobo Peresi, Daniel Vitor Aguiar Nozaki, Ericka Francislaine Dias Costa, Lana Ferreira Santos, Carmen Silvia Passos Lima, Sérgio Lúcio Pereira de Castro Lopes and Andre Luiz Ferreira Costa
Cancers 2025, 17(14), 2317; https://doi.org/10.3390/cancers17142317 - 11 Jul 2025
Viewed by 335
Abstract
Background: Texture analysis (TA) has shown promise in characterizing intratumoral heterogeneity from imaging data. We add to the literature that shows its capability to differentiate oropharyngeal cancers based on HPV status. Methods: Multislice CT analysis was done in 120 patients with confirmed OP [...] Read more.
Background: Texture analysis (TA) has shown promise in characterizing intratumoral heterogeneity from imaging data. We add to the literature that shows its capability to differentiate oropharyngeal cancers based on HPV status. Methods: Multislice CT analysis was done in 120 patients with confirmed OP SCC: a single 5 mm region of interest was placed on three consecutive homogeneous CT slices per patient. Texture features were extracted by using gray-level co-occurrence matrices averaged per patient. HPV status (via p16 IHC and molecular confirmation) and differentiation grade (i.e., good, moderate, and poor) were recorded. Non-parametric statistical tests assessed differences between subgroups. Results: Seven texture parameters (i.e., angular second moment, contrast, sum of squares, sum entropy, entropy, inverse difference moment, and difference variance) differed significantly between HPV+ and HPV− tumors (all p < 0.05). HPV+ tumors exhibited increased heterogeneity and complexity on CT imaging. No texture feature correlated with histological grade. Conclusions: This study adds to the growing evidence that CT-based TA can assess HPV status in OP SCC. TA may be promising, though it requires further validation as an adjunctive method integrating into radiomics workflows to develop predictive models for diagnosis, prognosis, and treatment planning. Full article
(This article belongs to the Collection Imaging Biomarker in Oncology)
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18 pages, 5448 KiB  
Article
Glucocorticoid Receptor (GR) Expression in Human Tumors: A Tissue Microarray Study on More than 14,000 Tumors
by Maria Christina Tsourlakis, Simon Kind, Sebastian Dwertmann Rico, Sören Weidemann, Katharina Möller, Ria Schlichter, Martina Kluth, Claudia Hube-Magg, Christian Bernreuther, Guido Sauter, Andreas H. Marx, Ronald Simon, Ahmed Abdulwahab Bawahab, Florian Lutz, Viktor Reiswich, Davin Dum, Stefan Steurer, Eike Burandt, Till S. Clauditz, Till Krech, Christoph Fraune, Seyma Büyücek, Neele Heckmann, Natalia Gorbokon, Maximilian Lennartz, Sarah Minner and Florian Viehwegeradd Show full author list remove Hide full author list
Biomedicines 2025, 13(7), 1683; https://doi.org/10.3390/biomedicines13071683 - 9 Jul 2025
Viewed by 413
Abstract
Background: The glucocorticoid receptor (GR) regulates the transcription of thousands of genes. In cancer, both oncogenic and tumor suppressive roles of GR have been proposed. Methods: A tissue microarray containing 18,527 samples from 147 tumor (sub-)types and 608 samples from 76 normal [...] Read more.
Background: The glucocorticoid receptor (GR) regulates the transcription of thousands of genes. In cancer, both oncogenic and tumor suppressive roles of GR have been proposed. Methods: A tissue microarray containing 18,527 samples from 147 tumor (sub-)types and 608 samples from 76 normal tissue types was analyzed for GR expression by immunohistochemistry. Results: GR positivity was found in 76.4% of 14,349 interpretable cancers, including 18.5% with weak, 19.6% with moderate, and 38.3% with strong positivity. GR positivity appeared in all 147 tumor types, with at least one strongly positive tumor in 136 types. Of out tumor entities, 77 of the 147 showed GR positivity in 100% of the cases analyzed. Only six tumor types had less than 50% GR-positive cases, including adenomas with low-/high-grade dysplasia (32.5%/21.7%), adenocarcinomas (17%) and neuroendocrine carcinomas (45.5%) of the colorectum, endometrial carcinomas (25.6%), and rhabdoid tumors (25%). Reduced GR staining was associated with grade progression in pTa (p < 0.0001) and with nodal metastasis in pT2-4 (p = 0.0051) urothelial bladder carcinoma, advanced pT stage (p = 0.0006) in breast carcinomas of no special type (NST), and high grade (p = 0.0066), advanced pT stage (p < 0.0001), and distant metastasis (p = 0.0081) in clear cell renal cell carcinoma. GR expression was unrelated to clinico-pathological parameters in gastric, pancreatic, and colorectal adenocarcinoma, and in serous high-grade carcinoma of the ovary. Conclusions: GR expression is frequent across all cancer types. Associations between reduced GR expression and unfavorable tumor features in certain cancers suggest that the functional importance of GR-regulated genes in cancer progression depends on the cell of tumor origin. Full article
(This article belongs to the Section Cancer Biology and Oncology)
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26 pages, 9198 KiB  
Article
The Exotic Igneous Clasts Attributed to the Cuman Cordillera: Insights into the Makeup of a Cadomian/Pan-African Basement Covered by the Moldavides of the Eastern Carpathians, Romania
by Sarolta Lőrincz, Marian Munteanu, Ştefan Marincea, Relu Dumitru Roban, Valentina Maria Cetean, George Dincă and Mihaela Melinte-Dobrinescu
Geosciences 2025, 15(7), 256; https://doi.org/10.3390/geosciences15070256 - 3 Jul 2025
Viewed by 294
Abstract
The Eastern Carpathians are thrust to the east and north over their Eastern European foreland, tectonically covering it over an area several hundred kilometers across. Information about the nature of the underthrust part of the Carpathian foreland can be obtained from the rock [...] Read more.
The Eastern Carpathians are thrust to the east and north over their Eastern European foreland, tectonically covering it over an area several hundred kilometers across. Information about the nature of the underthrust part of the Carpathian foreland can be obtained from the rock fragments preserved in the sedimentary successions of the Carpathian fold and thrust belt, specifically in the Outer Dacides and the Moldavides. Fragments of felsic rocks occurring within the sedimentary units of the Upper Cretaceous successions of the Moldavides have long been attributed to the Cuman Cordillera—an intrabasinal ridge in the Eastern Outer Carpathians. This work is the first complex geochemical and geochronological study on the exotic igneous clasts of the Cuman Cordillera. Igneous clasts from the southern part of the Moldavides (Variegated clay nappe/formation) are investigated here. They include mainly granites and rhyolites. Phaneritic rocks are composed of cumulus plagioclase, albite, amphibole and biotite, and intercumulus quartz and potassium feldspar, with apatite, magnetite, sphene, and zircon as main accessories, while the porphyritic rocks have a mineral assemblage similar to that mentioned above, displayed in a porphyritic texture with a usually crystallized groundmass. SHRIMP U-Pb zircon dating indicated the 583–597 Ma age interval for magma crystallization. Based on calcareous nannofossils, the depositional age of the investigated igneous clasts is Cenomanian to Maastrichtian, implying that the Cuman Cordillera was an emerged piece of land, herein an active source of sediments in the flysch basin for at least 40 Ma, from the Early Cretaceous (Aptian) to the Late Cretaceous (Maastrichtian). The intrusive and subvolcanic rocks show similar trends for trace and major elements, evincing their comagmatic nature. The enrichment in LILE and LREE relative to HFSE and HREE, as well as the element anomalies (e.g., negative Nb, Ta, and Eu and positive Rb, Ba, K, and Pb) suggest a convergent continental plate margin tectonic setting. Mineral chemistry suggests magma crystallization in relatively oxic conditions (magnetite series), during ascent within a depth of 15 km to 5 km. The igneous rocks attributed to the Cuman ridge display compositional and geochronological features similar to Brno and Thaya batholiths in the Brunovistulian terrane, which could be a piece of the Carpathian foreland not covered by the Tertiary thrusts. Our data confirm the non-Carpathian origin of the igneous clasts, revealing a Neoproterozoic history of the Carpathian foreland units, which include a Cadomian/Pan-African continental arc, exposed mainly during the Late Cretaceous as an intrabasinal island of the Alpine Tethys, traditionally known as the Cuman Cordillera. Full article
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34 pages, 4392 KiB  
Article
Post-Collisional Mantle Processes and Magma Evolution of the El Bola Mafic–Ultramafic Intrusion, Arabian-Nubian Shield, Egypt
by Khaled M. Abdelfadil, Hatem E. Semary, Asran M. Asran, Hafiz U. Rehman, Mabrouk Sami, A. Aldukeel and Moustafa M. Mogahed
Minerals 2025, 15(7), 705; https://doi.org/10.3390/min15070705 - 2 Jul 2025
Viewed by 557
Abstract
The El Bola mafic–ultramafic intrusion (EBMU) in Egypt’s Northern Eastern Desert represents an example of Neoproterozoic post-collisional layered mafic–ultramafic magmatism in the Arabian–Nubian Shield (ANS). The intrusion is composed of pyroxenite, olivine gabbro, pyroxene gabbro, pyroxene–hornblende gabbro, and hornblende-gabbro, exhibiting adcumulate to heter-adcumulate [...] Read more.
The El Bola mafic–ultramafic intrusion (EBMU) in Egypt’s Northern Eastern Desert represents an example of Neoproterozoic post-collisional layered mafic–ultramafic magmatism in the Arabian–Nubian Shield (ANS). The intrusion is composed of pyroxenite, olivine gabbro, pyroxene gabbro, pyroxene–hornblende gabbro, and hornblende-gabbro, exhibiting adcumulate to heter-adcumulate textures. Mineralogical and geochemical analyses reveal a coherent trend of fractional crystallization. Compositions of whole rock and minerals indicate a parental magma of ferropicritic affinity, derived from partial melting of a hydrous, metasomatized spinel-bearing mantle source, likely modified by subduction-related fluids. Geothermobarometric calculations yield crystallization temperatures from ~1120 °C to ~800 °C and pressures from ~5.2 to ~3.1 kbar, while oxygen fugacity estimates suggest progressive oxidation (log fO2 from −17.3 to −15.7) during differentiation. The EBMU displays Light Rare Earth element (LREE) enrichment, trace element patterns marked by Large Ion Lithophile Element (LILE) enrichment, Nb-Ta depletion and high LILE/HFSE (High Field Strength Elements) ratios, suggesting a mantle-derived source that remained largely unaffected by crustal contribution and was metasomatized by slab-derived fluids. Tectonic discrimination modeling suggests that EBMU magmatism was triggered by asthenospheric upwelling and slab break-off. Considering these findings alongside regional geologic features, we propose that the mafic–ultramafic intrusion from the ANS originated in a tectonic transition between subduction and collision (slab break-off) following the assembly of Gondwana. Full article
(This article belongs to the Section Mineral Geochemistry and Geochronology)
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10 pages, 836 KiB  
Article
IFN-γ +874 T/A Is Associated with High Levels of Sera CPK in Patients with Inflammatory Myopathies
by Mónica Vázquez-Del Mercado, Beatriz Teresita Martín-Márquez, Erika Aurora Martínez-García and Marcelo Heron Petri
Curr. Issues Mol. Biol. 2025, 47(7), 492; https://doi.org/10.3390/cimb47070492 - 27 Jun 2025
Viewed by 318
Abstract
Aim of the study: Idiopathic inflammatory myopathies (IIM) are autoimmune diseases with a low prevalence and incidence worldwide. The levels of IFN-γ production by T-lymphocytes are related to disease activity. IFN-γ +874 T/A (rs2430561) has been shown to alter the serum levels of [...] Read more.
Aim of the study: Idiopathic inflammatory myopathies (IIM) are autoimmune diseases with a low prevalence and incidence worldwide. The levels of IFN-γ production by T-lymphocytes are related to disease activity. IFN-γ +874 T/A (rs2430561) has been shown to alter the serum levels of IFN-γ in different pathologies. The aim of this work is to explore the role of IFN-γ +874 T/A polymorphism in IIM. Methods: Using a specific sequence primer-polymerase chain reaction (SSP-PCR), the genotype was defined for normal healthy controls (HC) and patients with IIM. Markers of muscle damage, clinical features and treatment were collected from chart at the time of diagnosis and at recruitment point. All the data were analyzed by demographic characteristics, genotype, type of IIM, treatment, clinical features, and enzymatic levels. Results: No association was found comparing the genotypes or alleles of the IIM patients vs. HC. On the other hand, the TT genotype, previously described as a high producer of INF γ, showed higher levels of CPK at diagnosis in IIM patients, whereas females at diagnosis and males in remission presented higher levels. Conclusions: Even with a limited number of patients due to the rarity of this disease, no association was found between the disease development. Further, the TT genotype promoted muscle damage due to CPK elevation in the sera compared to the TA/AA genotype in patients with IIM. This could be genetic evidence of the impact of IFN-γ in the disease activity of IIM patients. A larger cohort is needed to confirm these results. Full article
(This article belongs to the Special Issue Molecular Basis of Autoimmune Diseases)
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12 pages, 3892 KiB  
Article
A Novel Hyperspectral Microscope Imaging Technology for the Evaluation of Physicochemical Properties and Heterogeneity in ‘Xia Hui 6’ Peaches
by Shiyu Song, Zhenjie Wang, Leiqing Pan and Kang Tu
Foods 2025, 14(12), 2099; https://doi.org/10.3390/foods14122099 - 14 Jun 2025
Viewed by 460
Abstract
Hyperspectral microscope imaging (HMI) was employed to evaluate the physiochemical properties of and the large intra-variability in individual fruit of ‘Xia Hui 6’ peaches during storage, which gave insights into the heterogeneity of peach fruits at the microscale. The physicochemical characteristics such as [...] Read more.
Hyperspectral microscope imaging (HMI) was employed to evaluate the physiochemical properties of and the large intra-variability in individual fruit of ‘Xia Hui 6’ peaches during storage, which gave insights into the heterogeneity of peach fruits at the microscale. The physicochemical characteristics such as firmness (FI), soluble sugar content (SSC), and L* value of peaches showed significant changes, while the microstructure of the tissues broke down. Principal component analysis (PCA) was applied to peach tissues from the sunny side and shady side at different storage stages, which allowed us to clearly visualize the distribution of sugars, water, and pigments at the cellular scale. Single-feature variables were constructed to clarify the correlation between the characteristic bands and physicochemical parameters based on Pearson correlation analysis, with an R2 of 0.99 for firmness at 588 nm, 0.98 for titratable acidity (TA) at 432 nm, 0.88 for the L* value at 430 nm and 0.83 for the b* value at 426 nm. This work demonstrated that HMI technology as an accurate and highly effective tool in evaluating the quality of ‘Xia Hui 6’ peaches and targeting, allowing us to visualize the spatial heterogeneity within peach fruit tissues. Full article
(This article belongs to the Section Food Analytical Methods)
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16 pages, 2310 KiB  
Article
Prediction and Screening of Lead-Free Double Perovskite Photovoltaic Materials Based on Machine Learning
by Juan Wang, Yizhe Wang, Xiaoqin Liu and Xinzhong Wang
Molecules 2025, 30(11), 2378; https://doi.org/10.3390/molecules30112378 - 29 May 2025
Viewed by 639
Abstract
The search for stable, lead-free perovskite materials is critical for developing efficient and environmentally friendly energy solutions. In this study, machine learning methods were applied to predict the bandgap and formation energy of double perovskites, aiming to identify promising photovoltaic candidates. A dataset [...] Read more.
The search for stable, lead-free perovskite materials is critical for developing efficient and environmentally friendly energy solutions. In this study, machine learning methods were applied to predict the bandgap and formation energy of double perovskites, aiming to identify promising photovoltaic candidates. A dataset of 1053 double perovskites was extracted from the Materials Project database, with 50 feature descriptors generated. Feature selection was carried out using Pearson correlation and mRMR methods, and 23 key features for bandgap prediction and 18 key features for formation energy prediction were determined. Four algorithms, including gradient-boosting regression (GBR), random forest regression (RFR), LightGBM, and XGBoost, were evaluated, with XGBoost demonstrating the best performance (R2 = 0.934 for bandgap, R2 = 0.959 for formation energy; MAE = 0.211 eV and 0.013 eV/atom). The SHAP (Shapley Additive Explanations) analysis revealed that the X-site electron affinity positively influences the bandgap, while the B″-site first and third ionization energies exhibit strong negative effects. Formation energy is primarily governed by the X-site first ionization energy and the electronegativities of the B′ and B″ sites. To identify optimal photovoltaic materials, 4573 charge-neutral double perovskites were generated via elemental substitution, with 2054 structurally stable candidates selected using tolerance and octahedral factors. The XGBoost model predicted bandgaps, yielding 99 lead-free double perovskites with ideal bandgaps (1.3~1.4 eV). Among them, four candidates are known compounds according to the Materials Project database, namely Ca2NbFeO6, Ca2FeTaO6, La2CrFeO6, and Cs2YAgBr6, while the remaining 95 candidate perovskites are unknown compounds. Notably, X-site elements (Se, S, O, C) and B″-site elements (Pd, Ir, Fe, Ta, Pt, Cu) favor narrow bandgap formation. These findings provide valuable guidance for designing high-performance, non-toxic photovoltaic materials. Full article
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18 pages, 1964 KiB  
Article
Impact of Psychopathology and Gut Microbiota on Disease Progression in Ulcerative Colitis: A Five-Year Follow-Up Study
by Franco Scaldaferri, Antonio Maria D’Onofrio, Elena Chiera, Adrian Gomez-Nguyen, Gaspare Filippo Ferrajoli, Federica Di Vincenzo, Valentina Petito, Lucrezia Laterza, Daniela Pugliese, Daniele Napolitano, Elisa Schiavoni, Giorgia Spagnolo, Daniele Ferrarese, Lorenza Putignani, Loris Riccardo Lopetuso, Giovanni Cammarota, Fabio Cominelli, Antonio Gasbarrini, Gabriele Sani and Giovanni Camardese
Microorganisms 2025, 13(6), 1208; https://doi.org/10.3390/microorganisms13061208 - 25 May 2025
Cited by 1 | Viewed by 710
Abstract
Psychological distress and gut dysbiosis play key roles in IBD. This study investigated whether specific psychopathological and gut microbiota features predict adverse outcomes in UC patients. This retrospective cohort study included 35 UC patients recruited in 2019. Baseline assessments involved clinical interviews, psychiatric [...] Read more.
Psychological distress and gut dysbiosis play key roles in IBD. This study investigated whether specific psychopathological and gut microbiota features predict adverse outcomes in UC patients. This retrospective cohort study included 35 UC patients recruited in 2019. Baseline assessments involved clinical interviews, psychiatric evaluations, and stool sampling. In 2024, follow-up interviews and medical record reviews assessed disease progression, including biologic therapy failure, hospitalization, surgery, and diagnosis changes. Disease activity was measured via the Mayo score. Psychological testing included MMPI-2, STAI-Y2, GSES, CD-RISC, and TAS-20. Patients with biological therapy failure showed increased levels of Proteobacteria, Fusobacteria, Enterobacteriaceae, and Trabulsiella, while Firmicutes were less abundant. UC-related hospitalized patients had lower levels of Rikenellaceae, Ruminococcaceae, Faecalibacterium, Lachnospira, Methanobrevibacter, and Phascolarctobacterium compared to non-hospitalized patients. Hospitalized patients scored higher on the Sc clinical scale and the OBS and HEA content scales. Acidaminococcus and Bilophila were more abundant in patients who underwent surgery. PCA revealed differences between patients with and without biological failure. Logistic regression found that Fusobacteria were negatively correlated with the failure of three or more biologics, while Hy and Pd were positively correlated. Pa and Pt were negatively correlated with multifailure. Obsessiveness, health concerns, somatization, and reduced SCFA-producing bacteria may predict UC-related adverse outcomes. Full article
(This article belongs to the Section Gut Microbiota)
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17 pages, 7133 KiB  
Article
Subduction Dynamics of the Paleo-Pacific Plate: New Constraints from Quartz Diorites in the Fudong Region
by Jijie Song, Yidan Zhu and Xiangzhong Chen
Minerals 2025, 15(6), 562; https://doi.org/10.3390/min15060562 - 25 May 2025
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Abstract
The Yanbian area of Jilin Province is situated in the eastern segment of the southern margin of the Xing-Meng Orogenic Belt, representing a region that has been superimposed and reworked by the Paleo-Asian Ocean and Circum-Pacific tectonic event. To determine the emplacement age [...] Read more.
The Yanbian area of Jilin Province is situated in the eastern segment of the southern margin of the Xing-Meng Orogenic Belt, representing a region that has been superimposed and reworked by the Paleo-Asian Ocean and Circum-Pacific tectonic event. To determine the emplacement age and petrogenesis of the quartz diorite in the Fudong area of Yanbian, Jilin Province, and to investigate its tectonic setting, petrographic studies, zircon U-Pb geochronology, whole-rock Sr-Nd isotopic analysis, zircon Hf isotopic analysis, and detailed geochemical investigations of this intrusion were carried out. The results indicate that the Fudong quartz diorite has: (1) A weighted mean zircon U-Pb age of 186 ± 1.7 Ma, corresponding to the Late Early Jurassic; (2) geochemically high concentrations of Sr (average: 1146 ppm) and Ba (average: 1213 ppm), and enrichment of light rare earth elements (LREE), along with notably high Th/Yb and Rb/Y ratios; (3) geochemically, the quartz diorite is enriched in large-ion lithophile elements (LILEs; e.g., Ba, K) and light rare earth elements (LREEs), while being depleted in high-field-strength elements (HFSEs; e.g., Ta, Ti). These features are consistent with magma formed in a subduction-related setting. In summary, the Fudong quartz diorite formed within an active continental margin tectonic environment associated with the subduction of the Paleo-Pacific Plate. Its primary magma likely originated from an enriched lithospheric mantle that had been metasomatized by fluids released from the subducted slab. Full article
(This article belongs to the Section Mineral Geochemistry and Geochronology)
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