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Keywords = comparative molecular field analysis

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13 pages, 1160 KB  
Review
Prenatal Use of Exome Sequencing and Chromosomal Microarray Analysis: Indications, Interpretation, and Gene Selection Strategies
by Laia Rodriguez-Revenga, Victoria Ardiles-Ruesjas and Antoni Borrell
Diagnostics 2026, 16(2), 185; https://doi.org/10.3390/diagnostics16020185 - 7 Jan 2026
Abstract
As genomic technologies continue to evolve, understanding the scope and limitations of available prenatal testing methods is essential for accurate diagnosis and counseling. Chromosomal microarray analysis (CMA) and exome sequencing (ES) have emerged as key complementary tools in this setting. This review aims [...] Read more.
As genomic technologies continue to evolve, understanding the scope and limitations of available prenatal testing methods is essential for accurate diagnosis and counseling. Chromosomal microarray analysis (CMA) and exome sequencing (ES) have emerged as key complementary tools in this setting. This review aims to outline the technical principles underlying CMA and ES and to compare their diagnostic capabilities and limitations in the prenatal context. This narrative review includes a literature search, with additional relevant articles identified through manual screening of reference lists from key publications and review articles. Due to the narrative nature of this review, no formal inclusion or exclusion criteria or quantitative synthesis were applied. Special focus was placed on clinical indications, variant interpretation challenges—particularly uncertain and incidental findings—gene selection strategies, and implications for prenatal counseling. Indications for both tests have increased over time but differ substantially. CMA is becoming the standard prenatal genetic test, particularly in the evaluation of fetal structural anomalies, whereas ES remains restricted to selected fetal structural anomalies. Interpretation of molecular results remains a major challenge, especially for variants of uncertain significance and incidental findings with unclear or unexpected implications for pregnancy management. For ES, agnostic gene selection strategies showed superior diagnostic yield compared with phenotype-driven approaches, likely reflecting the limited characterization of prenatal phenotypes. Continuous refinement of clinical indications, bioinformatic pipelines, variant classification criteria, and gene curation strategies is critical to ensure that prenatal results are accurate and clinically meaningful. Together, ongoing improvements in technology, interpretation, and clinical integration have the potential to transform prenatal genomics into a more precise, informed, and ethically responsible field. Full article
(This article belongs to the Special Issue Game-Changing Concepts in Reproductive Health)
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16 pages, 1592 KB  
Article
Multi-Omics Reveals Protected Cultivation Improves Chinese Plum (Prunus salicina L.) Quality via Light-Regulated Sugar Metabolism
by Liangliang Cao, Xi Long, Xiaolou Zhu, Jiangong Wang, Weidong Xu, Qiang Lu, Zanyu Ruan, Jiashun Miao and Zhangliang Yao
Plants 2026, 15(1), 164; https://doi.org/10.3390/plants15010164 - 5 Jan 2026
Viewed by 101
Abstract
The Chinese plum (Prunus salicina L.), ‘Zuili’, is a geographically protected cultivar that is valued for its high polyphenol levels and distinctive flavor. Light availability strongly influences sugar accumulation and secondary metabolism in plum fruit, yet the molecular processes associated with quality [...] Read more.
The Chinese plum (Prunus salicina L.), ‘Zuili’, is a geographically protected cultivar that is valued for its high polyphenol levels and distinctive flavor. Light availability strongly influences sugar accumulation and secondary metabolism in plum fruit, yet the molecular processes associated with quality variation under protected cultivation remain unclear. Here, we compare three cultivation systems—multi-span greenhouse (M), retractable electric rain shelter (R), and conventional open field (CK)—to evaluate their effect on fruit quality using integrated transcriptomic and metabolomic analyses. Field trials showed that M treatment increased fruit sweetness by 28.10% versus CK (14.68 vs. 11.46 °Brix, p < 0.001) without yield loss and significantly improved vertical fruit diameter. RNA-seq analysis identified 7561 and 7962 upregulated genes in the M and R treatments compared to CK, respectively, with significant functional enrichment in pathways related to sucrose metabolism, light-response, and ethylene-mediated signaling. Untargeted metabolomic signaling identified 1373 metabolites, with shading treatments increasing the abundance of several sugar-conjugated compounds (e.g., epicatechin 3-O-(2-trans-cinnamoyl)-β-D-allopyranoside). Multi-omics integration revealed coordinated changes in gene expression and metabolite abundance, suggesting that controlled light environments are associated with the concurrent modulation of sugar metabolism and phenylpropanoid-related pathways. These patterns were supported by the upregulation of GT2-family glycosyltransferase genes and the accumulation of lignin-related flavonoid precursors, such as pinobanksin and pinobanksinol. Collectively, these results highlight statistically robust associations between light-regulated cultivation practices and fruit quality traits, providing a molecular framework for optimizing protected cultivation strategies to enhance both the sensory and nutritional attributes of P. salicina fruit without compromising yield. Full article
(This article belongs to the Special Issue Horticultural Plant Physiology and Molecular Biology—2nd Edition)
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17 pages, 5076 KB  
Article
Discovery of New 7-Propanamide Benzoxaborole as Potent Anti-SKOV3 Agent via 3D-QSAR Models
by Liyang Ji, Jiong Zhang, Huchen Zhou and Yaxue Zhao
Int. J. Mol. Sci. 2026, 27(1), 472; https://doi.org/10.3390/ijms27010472 - 2 Jan 2026
Viewed by 132
Abstract
Benzoxaboroles have garnered significant interest for their therapeutic potential in various diseases. Among them, 7-propanamide benzoxaborole has served as a new and valuable chemotype for anti-cancer agents, although their definitive intracellular target(s) remains elusive. Herein, three-dimensional quantitative structure–activity relationship (3D-QSAR) was used to [...] Read more.
Benzoxaboroles have garnered significant interest for their therapeutic potential in various diseases. Among them, 7-propanamide benzoxaborole has served as a new and valuable chemotype for anti-cancer agents, although their definitive intracellular target(s) remains elusive. Herein, three-dimensional quantitative structure–activity relationship (3D-QSAR) was used to systematically investigate the structure–activity relationships (SAR) of a series of 7-propanamide benzoxaboroles. Comparative molecular field analysis (CoMFA, r2 = 0.991, q2 = 0.626) and comparative molecular similarity indices analysis (CoMSIA, r2 = 0.964, q2 = 0.605) revealed critical structural determinants of 7-propanamide benzoxaboroles for inhibition of the ovarian cancer cell (SKOV3) proliferation. Based on the guidance of the critical structural determinants, we designed a new benzoxaborole compound 42 with high predicted inhibition activity values. In vitro proliferation assessment showed that compound 42 exhibited superior inhibitory potency to lead compound 1 and comparable activity to compound 41. These findings indicated that the SAR of benzoxaborole compounds through 3D-QSAR can offer valuable theoretical insights for the structural optimization of new benzoxaboroles as anti-SKOV3 agents. Full article
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22 pages, 6766 KB  
Article
Zn–IMP 3D Coordination Polymers for Drug Delivery: Crystal Structure and Computational Studies
by Hafiz Zeshan Aqil, Yanhong Zhu, Masooma Hyder Khan, Yaqoot Khan, Beenish Sandhu, Muhammad Irfan and Hui Li
Polymers 2026, 18(1), 119; https://doi.org/10.3390/polym18010119 - 31 Dec 2025
Viewed by 209
Abstract
Coordination polymers (CPs) are garnering attention in the field of medicine day by day. The goal is to develop a CP with biosafe and environment-friendly characteristics. Herein, we report two such novel 3D coordination polymers of zinc-inosine-5′-monophosphate (Zn-IMP) and bpe/azpy (as linkers) which [...] Read more.
Coordination polymers (CPs) are garnering attention in the field of medicine day by day. The goal is to develop a CP with biosafe and environment-friendly characteristics. Herein, we report two such novel 3D coordination polymers of zinc-inosine-5′-monophosphate (Zn-IMP) and bpe/azpy (as linkers) which were engineered as metal–organic frameworks that can be used as drug carriers for hydroxyurea (HU). We employed SCXRD, PXRD, solid-state CD, FTIR and TGA for crystal structure characterizations; the results achieved 3D coordination polymers which contain a P21 space group with chiral distorted tetrahedral geometry. Solution phase studies like UV–vis and CD were carried out to understand mechanistic pathways for interaction and chirality, respectively. We have also performed computational studies to evaluate the drug delivery capacity of both 3D CPs. Molecular docking and multi-pH molecular dynamics (MD) quantify that HU binds more strongly with CP−1 (ΔG =−10.87 ± 0.12) as compared to CP−2 (ΔG = −7.59 ± 0.26 kcal·mol−1), at normal and basic pH. MD simulation analysis indicated that a more compact and rigid cavity is observed by CP−1 as compared to CP−2 at physiological pH. Across acidic pH, for CP−1 the ligand RMSD increases markedly and U becomes slightly less negative, which indicated partial loss of contacts, thus releasing drugs in a tumor-like environment more easily. These result showed that CP−1 offers stronger binding, higher structural stability and a more pronounced pH-responsive release profile than CP−2, making CP-1 more promising candidate for targeted HU drug delivery, while CP−2 may serve as a weaker-binding, faster-release complement. Full article
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24 pages, 5727 KB  
Article
Herbivore-Induced Jasmonate Signaling Reduces Rice Resistance to the Brown Planthopper, Nilaparvata lugens
by Xingyun Wang, Xinqiang Zhang, Vered Tzin, Lanzhi Han, Jingshun Wang, Yali Zhou and Kunpeng Zhang
Agronomy 2026, 16(1), 91; https://doi.org/10.3390/agronomy16010091 - 29 Dec 2025
Viewed by 265
Abstract
Sometimes, crop breeding varieties demonstrate high resistance to target insects under laboratory conditions but exhibit significantly low resistance in the field. This research aimed to explain this phenomenon based on inter-species interactions among insects, as herbivory by one insect species can trigger physiological [...] Read more.
Sometimes, crop breeding varieties demonstrate high resistance to target insects under laboratory conditions but exhibit significantly low resistance in the field. This research aimed to explain this phenomenon based on inter-species interactions among insects, as herbivory by one insect species can trigger physiological changes in plants that enhance their attraction to other insect species. The striped stem borer (SSB), Chilo suppressalis (Walker), and the brown planthopper (BPH), Nilaparvata lugens (Stål), are pests of rice (Oryza sativa L.) that cause major losses in grain production. In this study, we investigated BPH performance and behavior on the planthopper-resistant rice variety “Mudgo” with pre-feeding of SSB. BPHs showed better growth and development, as well as feeding behavior, on SSB-damaged plants compared to undamaged plants. Then, gene expression and phytohormone analysis revealed that jasmonic acid (JA) biosynthesis was induced by SSB feeding. The JA pathway is a central defense signaling hub in rice responding to chewing herbivores like SSB; however, our findings reveal that its induction can have contrasting ecological consequences, inadvertently reducing resistance to a subsequent piercing-sucking pest (BPH). Finally, we discovered that volatile emissions induced by SSB damage attracted BPH and benefited its development. In summary, we found that JA biosynthesis triggered by SSB herbivory played a vital role in rice defense against BPH. This provides insight into the molecular and biochemical mechanisms underlying BPH preferences for SSB-damaged rice plants. Our study emphasizes the crucial role of inter-species interactions in enhancing host plant resistance to insect pests and evaluating germplasm resistance. These findings can serve as a basis for controlling BPH. Full article
(This article belongs to the Section Pest and Disease Management)
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29 pages, 3159 KB  
Article
Energy-Dependent Effects of Pulsed Electric Field (PEF) Treatment on the Quality Attributes, Bioactive Compounds, and Microstructure of Red Bell Pepper
by Katarzyna Rybak, Aleksandra Skarżyńska, Szymon Ossowski, Magdalena Dadan, Katarzyna Pobiega and Małgorzata Nowacka
Molecules 2026, 31(1), 88; https://doi.org/10.3390/molecules31010088 - 25 Dec 2025
Viewed by 375
Abstract
This study evaluated the energy-dependent effects of pulsed electric field (PEF) treatment on the physicochemical properties, bioactive compounds, antioxidant activity, and microstructure of red bell pepper (Capsicum annuum L.). Red bell pepper tissue was treated at specific energy inputs ranging from 1 [...] Read more.
This study evaluated the energy-dependent effects of pulsed electric field (PEF) treatment on the physicochemical properties, bioactive compounds, antioxidant activity, and microstructure of red bell pepper (Capsicum annuum L.). Red bell pepper tissue was treated at specific energy inputs ranging from 1 to 10 kJ/kg and compared with a fresh (untreated sample). The cell disintegration index (CDI) increased progressively with PEF energy, confirming enhanced membrane permeabilization and structural disruption. Structural analyses (SEM and micro-CT) confirmed the formation of pores and interconnected channels, particularly at moderate and high energies. PEF treatment caused a decrease in total polyphenols and flavonoids, whereas vitamin C and total carotenoid contents increased at intermediate energies. Antioxidant activity (ABTS, DPPH, FRAP) declined overall but remained at comparable levels for mild PEF exposure. A significant reduction in firmness was observed (from 17% to 27% compared with the untreated control), and color changes were dependent on the energy input, while microstructural degradation intensified as the energy level approached 10 kJ/kg. PEF treatment improved microbial stability, resulting in a measurable reduction in total viable counts and yeast and mold counts, particularly at higher energy inputs. FTIR, TGA, and NMR data confirmed molecular alterations without degradation of major components. Multivariate analysis (dendrogram, PCA) distinguished four characteristic response groups: fresh, low-energy (1–2 kJ/kg), moderate-energy (4–5 kJ/kg), and high-energy (10 kJ/kg). PEF treatment selectively modified red bell pepper tissue, enhancing permeabilization and carotenoid/vitamin C release while preserving visual quality at mild–moderate energies. These results demonstrate the potential of PEF as a nonthermal technique for tailoring the structural and functional properties of plant-based products. Full article
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19 pages, 2307 KB  
Article
Effects of Companion Tree Species on Soil Fertility, Enzyme Activities, and Organic Carbon Components in Eucalyptus Mixed Plantations in Southern China
by Junyu Zhao, Qin Ke, Yuanyuan Shi, Xianchong Song, Zuoyu Qin and Jian Tang
Forests 2026, 17(1), 22; https://doi.org/10.3390/f17010022 - 24 Dec 2025
Viewed by 212
Abstract
The long-term monoculture of Eucalyptus plantations in southern China has raised ecological concerns, prompting a shift towards mixed-species plantations as a sustainable alternative. This study investigates the mechanisms by which companion tree species enhance soil functionality in subtropical red soil regions. A field [...] Read more.
The long-term monoculture of Eucalyptus plantations in southern China has raised ecological concerns, prompting a shift towards mixed-species plantations as a sustainable alternative. This study investigates the mechanisms by which companion tree species enhance soil functionality in subtropical red soil regions. A field experiment compared a pure Eucalyptus (CK) plantation with three mixed-species plantations: Eucalyptus × Mytilaria laosensis (A × M), Eucalyptus × Magnolia hypolampra (A × H), and Eucalyptus × Michelia gioii (A × X). Comprehensive soil analyses were conducted at three soil depths (0–20 cm, 20–40 cm, and 40–60 cm) to assess chemical properties, enzyme activities, and humus components, and soil organic carbon (SOC) molecular structure was characterized by Fourier-Transform Infrared Spectroscopy (FTIR), with the relationships quantified using structural equation modeling (SEM) to test predefined causal hypotheses. The results showed that A × H significantly boosted topsoil fertility (e.g., OM: 46.61 g/kg), while A × M enhanced the recalcitrant organic carbon (ROC: 35.29 g/kg), indicating superior carbon sequestration potential. The FTIR analysis revealed species-specific alterations in SOC chemistry, such as increased aromatic compounds in A × H/A × X. The SEM analysis demonstrated that the latent variable “Humus” (reflected by LOC and ROC) directly and positively influenced the latent variable “Soil Fertility” (reflected by pH, OM, and AP; path coefficient: 0.62). In contrast, the latent variable “Organic Components” (reflected by specific FTIR functional groups) exhibited a significant direct negative effect on “Soil Fertility” (−0.41). The significant pathway from “Organic Components” to “Enzymatic Activity” (0.55*) underscored the role of microbial mediation. The study concludes that mixed plantations, particularly with Mytilaria laosensis (A × M), improve soil health through an “organic input–microbial enzyme response–humus formation” pathway, offering a scientific basis for sustainable forestry practices that balance productivity and ecological resilience. Full article
(This article belongs to the Section Forest Ecology and Management)
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20 pages, 843 KB  
Review
Potential of Bovine Herpesvirus Vectors for Recombinant Vaccines
by Eda Mert Gokduman, Mustafa Ozan Atasoy, Ayşe Gencay Goksu, İbrahim Sozdutmaz and Muhammad Munir
Vaccines 2026, 14(1), 6; https://doi.org/10.3390/vaccines14010006 - 20 Dec 2025
Viewed by 496
Abstract
The livestock industry experiences significant economic losses as a result of viral infections. Building on recent advances in biotechnological research, recombinant viral vector vaccines have emerged as promising platforms for next-generation vaccines. These vaccines can overcome many limitations of conventional vaccines, as they [...] Read more.
The livestock industry experiences significant economic losses as a result of viral infections. Building on recent advances in biotechnological research, recombinant viral vector vaccines have emerged as promising platforms for next-generation vaccines. These vaccines can overcome many limitations of conventional vaccines, as they provide stronger protective immune profiles, stability, and improved safety profiles for various diseases. Bovine herpesviruses serve as viral vector platforms utilized due to their large genome capacity, potential for multigenic antigen delivery, and significant immune stimulation. In this review, we explored the structural characteristics and genomic organization of bovine alphaherpesviruses (BoHV-1, BoHV-4, and BoHV-5), covered BoHV-5 biology and attenuation strategies as part of the comparative platform analysis, and summarised the latest advancements in molecular tools used for viral genome editing. We further highlight the development of vaccines against bovine and zoonotic pathogens, discuss applications of BoHV-based vectors, and deliberate on future directions to improve vaccine efficacy. It also discussed the current state of research in the field, considered prospects, and outlined strategies for impending research. BoHV vectors are promising candidates as next-generation vaccine platforms in veterinary medicine and will play an important role in integrated disease control in livestock. Full article
(This article belongs to the Special Issue Animal Vaccines: 2nd Edition)
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19 pages, 6173 KB  
Article
Strain-Engineered Thermal Transport at One- to Two-Dimensional Junctions in 3D Nanostructures
by Moath Al Hayek, Aayush Patel, Joshua Ellison and Jungkyu Park
C 2026, 12(1), 1; https://doi.org/10.3390/c12010001 - 19 Dec 2025
Viewed by 451
Abstract
In the present study, molecular dynamics simulations with three interatomic potentials (Polymer Consistent Force Field, Adaptive Intermolecular Reactive Empirical Bond Order, and Tersoff) are employed to investigate strain-dependent interfacial thermal resistance across one-dimensional to two-dimensional junctions. Carbon nanotube–graphene junctions exhibit exceptionally low interfacial [...] Read more.
In the present study, molecular dynamics simulations with three interatomic potentials (Polymer Consistent Force Field, Adaptive Intermolecular Reactive Empirical Bond Order, and Tersoff) are employed to investigate strain-dependent interfacial thermal resistance across one-dimensional to two-dimensional junctions. Carbon nanotube–graphene junctions exhibit exceptionally low interfacial resistances (1.69–2.37 × 10−10 K·m2/W at 300 K)—two to three orders of magnitude lower than conventional metal–dielectric interfaces. Strain-dependent behavior is highly potential-dependent, with different potentials showing inverse, positive, or minimal strain sensitivity. Local phonon density of states analysis with Tersoff reveals that strain-induced spectral redistribution in graphene toward lower frequencies enhances phonon coupling with carbon nanotube modes. Temperature significantly affects resistance, with 37–59% increases at 10 K compared to 300 K due to long-wavelength phonon scattering. Boron nitride nanotube–hexagonal boron nitride nanosheet junctions exhibit 60% higher resistance (3.2 × 10−10 K·m2/W) with temperature-dependent strain behavior and spacing-insensitive performance. Interfacial resistance is independent of pillar height, confirming junction-dominated transport. The discovery of exceptionally low interfacial resistances and material-specific strain responses enables the engineering of thermally switchable devices and mechanically robust thermal pathways. These findings directly address critical challenges in next-generation flexible electronics where devices must simultaneously manage high heat fluxes while maintaining thermal performance under repeated mechanical deformation. Full article
(This article belongs to the Special Issue 10th Anniversary of C — Journal of Carbon Research)
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18 pages, 17420 KB  
Article
OsPM19L Coordinates Phytohormone Signaling to Regulate Axillary Bud Outgrowth and Regeneration in Ratoon Rice
by Ruoxi Li, Binbin Chi, Wei Su, Jing Chen, Tianle Li, Hao Ma and Langtao Xiao
Plants 2025, 14(24), 3843; https://doi.org/10.3390/plants14243843 - 17 Dec 2025
Viewed by 290
Abstract
Ratoon rice cultivation is an efficient production system that achieves a second harvest from the stubble of the main crop, but its yield potential is largely constrained by variation in axillary bud regeneration capacity. Here, we identify OsPM19L, a plasma membrane–localized AWPM-19 [...] Read more.
Ratoon rice cultivation is an efficient production system that achieves a second harvest from the stubble of the main crop, but its yield potential is largely constrained by variation in axillary bud regeneration capacity. Here, we identify OsPM19L, a plasma membrane–localized AWPM-19 domain protein, as a key regulator of rice ratooning ability. Transcriptome analysis revealed higher OsPM19L expression in strong-regeneration cultivars, followed by a sharp decline after harvest. Promoter assays and hormonal treatments demonstrated that OsPM19L is strongly induced by ABA and functions as a positive regulator in ABA signaling. Under field conditions, ospm19l mutants exhibited increased tiller number but reduced ratooning index, whereas OsPM19L-OE plants showed the opposite pattern, indicating stage-specific regulation of tillering and regeneration. Hormone profiling and gene expression analyses showed that OsPM19L is associated with altered levels of multiple phytohormones in regenerating axillary buds, showing higher CK and GA levels and lower IAA and ABA levels in OsPM19L-OE compared with the wild type. Consequently, OsPM19L appears to facilitate dormancy release and enhance early axillary bud growth during the ratoon season. These findings indicate OsPM19L may act as a central regulator linking ABA signaling with hormonal cross-talk, providing new insights into the molecular control of regeneration and potential targets for improving ratoon rice productivity. Full article
(This article belongs to the Section Plant Development and Morphogenesis)
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24 pages, 3200 KB  
Article
The Influence of Hydrazo and Azo Bonds on the Conformation of New 4-Methyl-3,5-dinitro-2-(2-phenylhydrazinyl)pyridine and Its Azo Derivative—Structural Properties, Vibrational Spectra and Quantum Chemical DFT Calculations
by Jacek Michalski, Edyta Kucharska, Iwona Bryndal, Lucyna Dymińska, Wojciech Sąsiadek, Anna Pyra, Radosław Lisiecki, Maciej Ptak and Jerzy Hanuza
Int. J. Mol. Sci. 2025, 26(24), 12106; https://doi.org/10.3390/ijms262412106 - 16 Dec 2025
Viewed by 227
Abstract
A review of studies has shown that aromatic azo and hydrazo derivatives are used in a wide spectrum of fields, including food, pharmaceutical, and cosmetic products, as well as in technical and electronic technologies, which has contributed to the development of new such [...] Read more.
A review of studies has shown that aromatic azo and hydrazo derivatives are used in a wide spectrum of fields, including food, pharmaceutical, and cosmetic products, as well as in technical and electronic technologies, which has contributed to the development of new such compounds. In this work, the structures of newly obtained 4-methyl-3,5-dinitro-2-(2-phenylhydrazinyl)pyridine (4MDNPHP) and its azo derivative, 4-methyl-3,5-dinitro-2-[(E)-phenyldiazenyl]pyridine (4MDNPAP), were established by spectroscopic (NMR, IR, Raman, and UV-Vis) and emission studies. Single-crystal X-ray diffraction analysis was used to determine the molecular structure of the studied compounds, and the results were compared with DFT calculations (B3LYP/6-311G(2d,2p)). The collected X-ray data revealed that the crystal of the hydrazo compound (4MDNPHP) belongs to the triclinic space group P1¯ (Z = 2), whereas the crystal of the azo compound (4MDNPAP) follows the symmetry of the monoclinic space group P21/n (Z = 4). Both presented derivatives crystallized with one molecule in the asymmetric unit. Specific properties of the hydrazo bridge Cϕ-NH-NH-Cθ moiety and its azo counterpart Cϕ-N=N-Cθ were considered in detail. Full article
(This article belongs to the Section Materials Science)
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18 pages, 4375 KB  
Article
Gauge Transformation Effects of Nonlocal Potentials in the Strong-Field Approximation for Complex Molecules
by Shuning Gao, Shuang Wu, Jun Wang and Lanhai He
Symmetry 2025, 17(12), 2166; https://doi.org/10.3390/sym17122166 - 16 Dec 2025
Viewed by 210
Abstract
In ultrafast science, the strong-field approximation (SFA) provides a powerful framework to describe high-order harmonic generation (HHG) and related phenomena. Meanwhile, within the current ab initio theoretical framework, the use of nonlocal potentials in calculating multi-electron molecular wave functions is almost unavoidable. We [...] Read more.
In ultrafast science, the strong-field approximation (SFA) provides a powerful framework to describe high-order harmonic generation (HHG) and related phenomena. Meanwhile, within the current ab initio theoretical framework, the use of nonlocal potentials in calculating multi-electron molecular wave functions is almost unavoidable. We find that when such wave functions are directly applied to compute transition dipole moments for correcting SFA, it introduces a fundamental gauge transformation problem. Specifically, the nonlocal potential contributes an additional gauge-dependent phase function to the dipole operator, which directly modifies the phase of the transition dipole. As a consequence, the saddle-point equations acquire an entirely different structure compared to the standard SFA, leading to a splitting of the conventional short and long classical trajectories in HHG into multiple distinct quantum trajectories. Here, “complex molecules” refers to multi-center molecular systems whose nonlocal electronic structure leads to gauge-dependent strong-field responses. Our analysis highlights that the validity of gauge in-variation cannot be assumed universally in SFA framework. Our approach combines the molecular strong-field approximation with gauge transformation analysis, incorporating nonlocal pseudopotentials, saddle-point equations, and multi-center recombination effects. Full article
(This article belongs to the Section Physics)
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36 pages, 7764 KB  
Review
Global Research Trends and Thematic Evolution of Blueberry (Vaccinium spp.) Science: A Bibliometric Analysis
by David Alejandro Pinzon, Gina Marcela Amado, Jader Rodriguez and Edwin Villagran
Horticulturae 2025, 11(12), 1501; https://doi.org/10.3390/horticulturae11121501 - 11 Dec 2025
Viewed by 791
Abstract
Blueberry (Vaccinium spp.) is a high-value crop due to its growing global demand, recognized nutraceutical properties, and strong linkage with emerging technologies in precision agriculture and postharvest management. To characterize the scientific evolution and intellectual structure, we conducted a bibliometric analysis of [...] Read more.
Blueberry (Vaccinium spp.) is a high-value crop due to its growing global demand, recognized nutraceutical properties, and strong linkage with emerging technologies in precision agriculture and postharvest management. To characterize the scientific evolution and intellectual structure, we conducted a bibliometric analysis of 474 documents indexed in Scopus between 1987 and 2025. A systematic search strategy based on taxonomic, agronomic, and technological descriptors was applied, followed by data cleaning and analysis with Bibliometrix and VOSviewer. Performance indicators and science-mapping techniques were used to examine temporal growth, geographical distribution, institutional and author leadership, and thematic structure. Scientific output shows a sustained upward trend with a maximum of 42 articles in 2024, confirming the consolidation of blueberry as a model crop for interdisciplinary research. Research articles represent over 75% of the total (359/474), evidencing an application-oriented and experimentally grounded field. Agricultural and Biological Sciences dominate (382 documents), followed by Engineering (70) and Biochemistry, Genetics, and Molecular Biology (66), reflecting increasing integration of crop management, technological innovation, and food science. Thematic mapping identified five main clusters: physiology and health, plant protection, agronomic management and digitalization, processing and stability of phenolic compounds, and analytical characterization. The analysis reveals gaps in the integration of physiology, food science, and metabolomics, as well as in the biological validation of biomarkers and the study of peripheral Vaccinium species. Overall, the field exhibits a consolidated and sustainability-oriented interdisciplinarity, highlighting opportunities to advance toward more comparable analytical protocols, digital traceability, and artificial-intelligence-assisted decision support along the blueberry value chain. Full article
(This article belongs to the Section Fruit Production Systems)
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28 pages, 2584 KB  
Article
Whole-Genome Analysis of PGP Endophytic Bacillus subtilis 10-4: Unraveling Molecular Insights into Plant Growth and Stress Resilience
by Oksana Lastochkina and Liudmila Pusenkova
Int. J. Mol. Sci. 2025, 26(24), 11904; https://doi.org/10.3390/ijms262411904 - 10 Dec 2025
Viewed by 470
Abstract
The endophytic bacterium Bacillus subtilis 10-4 is a potent bioinoculant, previously shown to enhance growth and resilience to abiotic/biotic stresses across various crops. However, the genetic basis underlying these beneficial traits remains unexplored. In this study, a whole-genome analysis of B. subtilis 10-4 [...] Read more.
The endophytic bacterium Bacillus subtilis 10-4 is a potent bioinoculant, previously shown to enhance growth and resilience to abiotic/biotic stresses across various crops. However, the genetic basis underlying these beneficial traits remains unexplored. In this study, a whole-genome analysis of B. subtilis 10-4 was performed to gain the molecular determinants of its plant-beneficial effects. The Illumina MiSeq-based assembly revealed a genome of 4,278,582 bp (43.5% GC content) distributed across 19 contigs, encoding 4314 predicted protein-coding sequences, 42 tRNAs, and 6 rRNAs. This genomic architecture is comparable to other sequenced B. subtilis strains. The genomic annotation identified 331 metabolic subsystems with a total number of 1668 functions, predominantly associated with amino acid (281) (16.9%) and carbohydrate (247) (14.9%) metabolism. In silico genomic analysis uncovered a diverse repertoire of genes significant for plant growth and stress resilience. These included genes for colonization (i.e., exopolysaccharide production, biofilm formation, adhesion, motility, and chemotaxis), nutrient acquisition (i.e., nitrogen, phosphorus, iron, potassium, and sulfur metabolisms), and synthesis of bioactive compounds (auxins, salicylic acid, siderophores, gamma-aminobutyric acid, vitamins, and volatiles) and antimicrobials. The latter was supported by identified biosynthetic gene clusters (BGCs) for known antimicrobials (100% similarity) bacilysin, bacillaene, subtilosin A, and bacillibactin, as well as clusters for surfactin (82%), fengycin (80%), and plipastatin (46%), alongside a unique terpene cluster with no known similarity. Additionally, genes conferring abiotic stress tolerance via glutathione metabolism, osmoprotectants (e.g., proline, glycine betaine), detoxification, and general stress response were identified. The genomic evidence was consistent with observed plant growth improvements in laboratory assays (radish, oat) and a field trial (wheat) upon 10-4 inoculation. Thus, the findings elucidate the genomic background of B. subtilis 10-4’s beneficial effects, solidifying its potential for utilization as a bioinoculant in sustainable crop production under changing climate accompanied by multiple environmental stresses. Full article
(This article belongs to the Special Issue Plant Responses to Microorganisms and Insects)
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16 pages, 2555 KB  
Article
Isolation, Toxigenic Potential, and Mating Type of Fusarium pseudograminearum Causing Wheat Crown Rot in Hebei, China
by Jianzhou Zhang, Wenyu Wang, Jianhua Wang, Jiahui Zhang, Hao Li, Baizhu Chen and Chunying Li
J. Fungi 2025, 11(12), 844; https://doi.org/10.3390/jof11120844 - 28 Nov 2025
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Abstract
Fusarium crown rot (FCR) is a devastating fungal disease of wheat in China that causes substantial yield losses and deterioration of grain quality. To clarify the pathogen composition and associated mycotoxin risks of FCR in Hebei Province, a comprehensive field survey was conducted [...] Read more.
Fusarium crown rot (FCR) is a devastating fungal disease of wheat in China that causes substantial yield losses and deterioration of grain quality. To clarify the pathogen composition and associated mycotoxin risks of FCR in Hebei Province, a comprehensive field survey was conducted during the critical growth stage from flowering to maturity (April to May) of the 2024 wheat season from 46 sites. Fungal isolates were obtained from symptomatic wheat stem bases and were identified through morphological and molecular analyses. In total, 156 Fusarium isolates were obtained, and from these isolates, 12 Fusarium species were identified based on species-specific PCR and DNA sequencing of the translation elongation factor 1-α (TEF1) loci. Of these Fusarium isolates, 118 were identified as Fusarium pseudograminearum, 16 identified as F. graminearum and the remaining isolates consisted of F. acuminatum, F. asiaticum, F. boothii, F. culmorum, F. equiseti, F. flocciferum, F. incarnatum, F. proliferatum, F. sinensis, and F. verticillioides. The results revealed that F. pseudograminearum with the 15ADON genotype was the predominant species, accounting for 75.64% of all the isolates, followed by F. graminearum. Trichothecene genotyping revealed that 91.53% of the F. pseudograminearum strains possessed the 15ADON genotype (108 isolates), while 8.47% exhibited the 3ADON genotype (10 isolates). Although differences were observed within F. pseudograminearum in MAT1-1 and MAT1-2 distributions among different sampling regions, a well-balanced mating type ratio was identified across Hebei Province. Population genetic analysis based on composite genotypes (trichothecene and mating type) revealed moderate to high genetic diversity within the F. pseudograminearum population. Recent studies on causal Fusarium species, trichothecene genotypes, and their distribution in China are compared and discussed. These findings may have implications in managing this significant fungal disease. Full article
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