Search Results (3,725)

This study aimed to evaluate the physicochemical characterization and antibacterial activity of the essential oil (EO) extracted from the leaves of Mentha rotundifolia (L.) Huds. Molecular interactions between bioactive ligand compounds, target bacterial proteins and DNA gyrase subunit B (GyrB), as well as an in silico ADMET prediction study, were also conducted. The EO was obtained by hydrodistillation of the plant leaves. The Gas Chromatography–Tandem Mass Spectrometry (GC-MS/MS) analysis revealed Rotundifolone (27.95%) and carvacrol (19.48%) as the major constituents. Other components identified included Piperitenone (6.09%), Cinerolon (4.73%), and Pulegone (4.47%). Antibacterial activity was assessed against six bacterial strains: Enterococcus faecalis CIP 103214, Salmonella Typhi CIP 5535, Staphylococcus aureus ATCC 9144, Bacillus cereus ATCC 33019, Streptococcus agalactiae IPM 24842, and Providencia alcalifaciens CIP 82.90T. The disk diffusion assay showed a strong inhibitory effect against E. faecalis (inhibition zone: 19.66 ± 0.3 mm), while the lowest minimum inhibitory concentration (MIC) was observed for B. cereus (0.58 ± 0.01 µL/mL). The time-kill kinetics assay showed a progressive inactivation of all tested bacterial strains after their exposure to EO for 8 h at MICs. Furthermore, Molecular docking showed remarkable affinities between EO components, target proteins and DNA gyrase subunit B (GyrB). Moreover, the in silico ADMET predictions provided preliminary insights into the safety-related properties of the major EO components. In addition, EO compounds have the potential to interact with bacterial structures. These findings highlight the in vitro antibacterial potential of the M. rotundifolia EO and suggest its promise as a natural source of bioactive compounds. Full article

We report the design, epitaxial growth, and room-temperature operation of a high-gain AlInAsSb-based avalanche photodiode (APD) for short-wavelength infrared (SWIR) detection at 1.55 µm. The device employs SAGCM structure to confine the electric field within the multiplication region while suppressing dark current. High-quality AlInAsSb layers were grown on GaSb substrates by molecular beam epitaxy using a digital alloy approach, achieving excellent surface morphology (R_a < 0.2 nm) and uniform superlattice periodicity. Electrical characterization reveals a well-defined breakdown voltage near −17 V and a peak internal multiplication gain of 200 at 300 K under 0.2 mW illumination at 1550 nm—among the highest gains reported to date for antimonide-based APDs operating at room temperature. Variable-temperature dark current analysis indicates a transition from tunneling-dominated to thermally generated dark current as temperature increases from 100 K to 300 K. These results demonstrate the strong potential of AlInAsSb SAGCM APDs for eye-safe, high-sensitivity applications in LIDAR, free-space optical communication, and low-light SWIR imaging. Full article

Axillary bud germination in sugarcane is a critical agronomic trait that directly determines seedling emergence and tillering capacity; however, its molecular regulatory mechanisms remain poorly understood. In this study, we systematically investigated the hormonal dynamics and transcriptomic profiles of the sugarcane cultivar XTT22 across five developmental stages (from dormancy to the first new leaf stage). Our results revealed that abscisic acid (ABA) content fluctuated during germination, whereas indole-3-acetic acid (IAA) and gibberellin (GA) levels decreased significantly, suggesting their negative regulatory roles. In contrast, cytokinin (CTK) and ethylene (ETH) contents increased at the initiation stage, indicating positive promoting functions. Transcriptome analysis identified 31,513 differentially expressed genes (DEGs), which were significantly enriched in pathways related to hormone signal transduction, starch/sucrose metabolism, and photosynthesis. Weighted gene co-expression network analysis (WGCNA) constructed 12 co-expression modules, among which the antiquewhite4 module (negatively correlated with IAA, GA, and ABA contents) and the darkorange2 module (positively correlated with cytokinin content) were identified as key regulatory modules. From these modules, seven core hub transcription factors (e.g., ScTCP5, ScSCR, and ScSHR1) were screened, and their expression patterns were validated by RT-qPCR. Furthermore, the expression trends of six hormone-related DEGs were highly consistent with the RNA-seq data. Collectively, this study elucidates the hormonal dynamics and gene regulatory networks underlying axillary bud germination in sugarcane, providing candidate gene resources for breeding high-yield varieties with enhanced emergence and tillering capacity. Full article

Inflammatory joint diseases, including osteoarthritis, are multifactorial disorders in which dysregulated innate immune signaling and non-coding RNA (ncRNA)-mediated regulation of gene expression play essential roles. MicroRNA-155 (miR-155), its host gene MIR155HG, and Toll-like receptor 4 (TLR4) form a tightly linked inflammatory signaling axis, yet their combined genetic variability in chronic joint inflammation remains insufficiently characterized. The aim of this study was to investigate genetic variants in MIR155HG exon 3, mature miR-155, and TLR4 exon 3 and assess their potential synergistic role in chronic inflammatory joint disease. A case–control study was conducted with 100 cases (50 osteoarthritis patients and 50 matched healthy controls). Genomic DNA was analysed using polymerase chain reaction (PCR) and Sanger sequencing. Variant alleles and genotypes were identified, and their allele frequencies and genotypes were calculated using Mutation Surveyor. Detected variants were compared with public databases, and in silico tools were used to estimate the structural impact of TLR4 missense mutations. Sixteen heterozygous variants were identified in MIR155HG exon 3, most of them novel and population-specific. Interestingly, the highest variant frequencies for MIR155HG exon 3 were observed at positions 12448G>GC and 12481T>TA (both 64.3%), followed by 12442T>TC (57.1%). Additionally, two novel variants were detected in the miR-155 gene (chr21:29,694,314 G>A and chr21:29,646,351 T>C), each present at an allele frequency of 7.1% and absent from current external variant databases. Moreover, two rare TLR4 exon-3 variants were identified; a synonymous variant, c.147C>A (Pro49Pro; rs375037549), and a missense mutation, c.148G>A (Asp50Asn; rs776561489). Notably, in silico analyses and molecular dynamic simulations indicated that the Asp50Asn (D50N) substitution destabilizes the TLR4 protein. Conclusion: Concurrent variants in MIR155HG, miR-155, and TLR4 suggest a convergent regulatory molecular axis that may contribute to disease susceptibility and inflammatory progression. Full article

Background/Objectives: Ludisia discolor, an endangered medicinal orchid, is a vital source of bioactive flavonoids which requires in vitro tissue culture for propagation and metabolite production. While light quality influences metabolic processes, the mechanisms connecting light conditions, phytohormone signaling, and flavonoid biosynthesis remain unclear. This study investigates how specific light qualities trigger secondary metabolism to improve tissue culture and conservation strategies. Methods: L. discolor was cultivated under strictly regulated LED environments (blue, red, yellow, and green). An integrated multi-omics approach, combining transcriptomic sequencing and targeted metabolomic profiling, was employed to analyze leaves, correlating plant hormone changes with flavonoid metabolite levels. Results: LED light qualities significantly altered flavonoid and phytohormone profiles, yielding 80 unique flavonoids. Blue and red light effectively promoted flavonoid accumulation, whereas yellow light suppressed it. Transcriptomics, validated by qRT-PCR, revealed distinct expression patterns in key structural genes (e.g., 4CL, PAL, CYP73A, FLS, CCoAOMT, C12RT1). Ten transcription factors (including MYB93, bZIP36, bHLH4, and bZIP44) with hormone-responsive cis-elements were co-expressed with 16 structural genes. Notably, blue light induced reactive oxygen species (ROS) signaling, activating phytohormone production (IAA, GA, ABA). These hormones subsequently stimulated transcription factors, increasing the biosynthesis of compounds like neohesperidin and hesperetin. Conclusions: We propose a novel regulatory model where light-induced ROS and phytohormone cascades activate specific transcription factors, enhancing structural gene expression in the flavonoid pathway. These findings elucidate the molecular mechanisms of light-driven secondary metabolism, providing valuable insights for the sustainable agriculture and ex situ conservation of endangered medicinal orchids. Full article

Leaf senescence is a critically regulated developmental process that determines crop yield and quality. MYB and NAC transcription factors (TFs) are central regulators within this network, yet the crosstalk between these TF families and their connection to the gibberellin (GA) pathway remain poorly understood. This study revealed that overexpression of DIV1, a MYB-like TF, leads to significantly reduced chlorophyll content and precocious leaf senescence. Based on the public transcriptome profiling of DIV1-overexpression leaves, 37 senescence-associated differentially expressed genes (DEGs), including the highly upregulated NAC59 and NAC92, were identified. Molecular assays confirmed that DIV1 directly binds to the promoters of NAC59 and NAC92 and activates their transcription. Meanwhile, yeast two-hybrid and split-luciferase assays demonstrated that DIV1 physically interacts with the GA biosynthetic enzyme ent-kaurene oxidase (KO1) both in vitro and in vivo. The promoted senescence phenotype in DIV1-overexpression lines was rescued by treatment with paclobutrazol (PAC), a GA biosynthesis inhibitor. In summary, our findings reveal a dual mechanism whereby DIV1 integrates the GA pathway and NAC-mediated transcription to regulate leaf senescence. This work provides new insights into the coordination between MYB and NAC TFs during hormone-mediated senescence. Full article

Fried Tengjiao oil is commonly used for seasoning spicy dishes, and both fresh and dried Tengjiao are used in its preparation. However, the flavor differences between fried Tengjiao oils prepared from these two types of raw materials have not yet been studied. The aim of this study was to compare and analyze the flavor differences between fresh fried Tengjiao oil (FFTO) and dried fried Tengjiao oil (DFTO). In this study, molecular sensory science was employed to reveal the flavor differences between the two at the molecular level. FFTO had a stronger pepper and spice aroma, while DFTO exhibited a more marked oily aroma. A total of 82 volatile compounds were identified via SAFE-GC-MS (solvent-assisted flavor evaporation–gas chromatography–mass spectrometry). Based on AEDA (aroma extract concentration analysis), 36 aroma-active compounds with FD ≥ 27 were accurately quantified. Following the AEDA, OAV analysis, and recombination experiments and omission tests, linalool and β-caryophyllene were identified as key flavor compounds in FTOs. α-thujone, 3-buten-1-yl isothiocyanate, citronellal, linalyl acetate, and 3-phenylpropionitrile were key flavor compounds in FFTO, and β-pinene, α-terpinene, β-phellandrene, and 3-ethyl-2,5-dimethylpyrazine were key flavor compounds in DFTO. Finally, chiral analysis suggests that the ratio of linalool enantiomers may be the potential cause of the flavor differences between FFTO and DFTO. This study provides theoretical guidance for the industrial production of FTO. Full article

Hydroxycinnamoyl-CoA shikimate/quinate hydroxycinnamoyl transferase, a key acyltransferase in the phenylpropanoid pathway and a canonical member of the BAHD acyltransferase family (BAHD), catalyzes the formation of pivotal intermediates in the biosynthesis of secondary metabolites such as lignin, chlorogenic acid, and flavonoids. These compounds serve indispensable protective functions in terrestrial plants, underpinning their adaptive responses to abiotic stresses such as drought, ultraviolet (UV) radiation, and oxidative damage. Although the role of HCT/HQT in the core phenylpropanoid pathway has been extensively characterized, its precise functional contributions to the flavonoid biosynthetic branch—particularly with respect to substrate selectivity, kinetic regulation, and metabolic channeling—remain incompletely understood. This review systematically analyzes the structural features, spatial conformation, catalytic mechanism, and substrate promiscuity of HCT/HQT to clarify its molecular determinants of activity and specificity. Furthermore, it highlights regulatory factors influencing HCT/HQT gene expression, such as transcription factors (MYB, bHLH, WRKY), phytohormones (GA₃, Eth, MeJA, 6-BA, MT), and abiotic/biotic stressors (temperature, blue light, nitric oxide, nano-selenium). Collectively, these insights illuminate how plants dynamically fine-tune phenylpropanoid metabolism in coordination with developmental programs and environmental challenges. This work provides a foundation for further research on HCT/HQT and supports efforts to develop improved crop varieties through targeted regulation of this central metabolic node. Full article

The presence of source rock with a high concentration of kerogen is not a sufficient condition for petroleum formation, as maturation requires specific thermodynamic conditions. In this study, the artificial maturation of organic matter was investigated through hydrothermal treatment simulating the vaporization–condensation zones associated with in situ combustion and steam-assisted recovery processes. The experiments were conducted under an inert nitrogen atmosphere at 250–350 °C to reproduce oxygen-depleted thermal environments where hydrothermal reactions dominate. The results demonstrate that the bitumoid yield increases with temperature, reaching a maximum of 4.44 wt.% at 300 °C, followed by a decline at 350 °C due to secondary cracking. At the same time, gas generation increases significantly, with a more than five-fold rise in total gas yield between 250 and 350 °C. In parallel, the H/C atomic ratio of kerogen decreases from 1.17 in the initial sample to 0.52 at 350 °C, indicating progressive aromatization and advanced catagenetic transformation. These changes are accompanied by the conversion of high-molecular-weight kerogen into resins, asphaltenes, and subsequently lighter hydrocarbons. The study provides experimental evidence for the effectiveness of hydrothermal processes in inducing kerogen transformation under inert conditions, offering insights into the mechanisms governing artificial maturation in unconventional reservoirs. Full article

The increasing need to reduce reliance on fossil-derived aviation fuels and mitigate environmental impacts has intensified research into renewable alternatives for aviation energy systems. The growing interest in ethanol-based fuels is primarily driven by their simple oxygen-rich molecular structure and advantageous physicochemical characteristics, yet experimental studies examining their application in hybrid power architectures, including micro-turboprop engine-based power sources, are still limited. This study presents an experimental investigation of ethanol–Jet A1 fuel blends used in a micro-turboprop engine operating as a power generation unit for unmanned aerial vehicle applications. Ethanol was blended with Jet A1 at volumetric fractions of 10%, 20% and 30% and the engine was tested under multiple operating regimes corresponding to different electrical power outputs. Exhaust gas temperature, electrical power output and gaseous emissions (CO and NO_x) were measured for each operating condition. The results indicate that low ethanol fractions (E10) provide performance comparable to neat kerosene, while higher ethanol fractions lead to a reduction in exhaust gas temperature at low-power regimes due to the lower heating value and high latent heat of vaporization of ethanol. Emission measurements showed a decrease in NO_x emissions with increasing ethanol content, associated with lower combustion temperatures, while CO emissions increased at low-power regimes due to incomplete combustion under lean conditions. Additionally, combustion instability was observed during rapid transitions from maximum to idle regime operation for higher ethanol blends, attributed to transient ultra-lean mixtures, evaporative cooling, and reduced reaction rates. The results demonstrate that ethanol–kerosene blends can be used in micro-turboprop systems at low blend ratios without major performance penalties, but transient operating conditions impose stability limits that must be considered in practical UAV power system applications. Full article

The molecular electrostatic surface potential (MESP) has become a key theoretical tool for probing reactivity in chemical systems. It reveals electrophilic and nucleophilic regions on molecular surfaces, underpinning the understanding of noncovalent interactions such as hydrogen, triel, tetrel, pnictogen, chalcogen, halogen, matere, and aerogen bonding, among many others. These interactions, driven by Coulombic attraction, govern aggregation in molecular and supramolecular systems across solid, liquid, and gas phases. MESP applications span crystal engineering, polymers, biology, catalysis, photovoltaics, and drug discovery. While limitations exist—such as the arbitrariness in defining isodensity surfaces—its impact on advancing both theoretical and applied chemical research is substantial. This review outlines the conceptual foundations of MESP and highlights its broad relevance across the chemical sciences. Full article

The origin of life is commonly discussed within two competing conceptual frameworks: the metabolism-first and information-first hypotheses. While each emphasizes a different defining property of early life, modern biochemistry reveals a fundamental interdependence between metabolic processes and genetic information transfer, leading to a persistent chicken-and-egg problem. In this study, we investigate a prebiotically plausible reaction system that enables the concurrent formation of molecular precursors associated with both frameworks. Under simulated Hadean hydrothermal conditions, acetylene, ammonia, cyanide, and carbon monoxide were reacted in aqueous solution in the presence of transition metal sulfides. Using gas chromatography–mass spectrometry combined with stable isotope labeling, we demonstrate the simultaneous formation of the nucleobase uracil and the amino acids alanine and aspartic acid. Isotopic incorporation patterns allow reconstruction of the underlying reaction pathways and confirm the contribution of all starting materials to product formation. While amino acids are produced continuously over the observed period in significantly higher yields than uracil, uracil formation exhibits a pronounced time-dependent maximum after three days. Variations in pH, reaction time, and metal sulfide catalysts modulate product yields but do not prevent the parallel emergence of both molecular classes. These findings support a scenario in which proto-metabolic chemistry and molecular precursors of genetic information could have arisen simultaneously within a shared geochemical setting. The results provide experimental support for a coupled origin of metabolism and transcriptional building blocks, offering a potential resolution to the dichotomy between metabolism-first and information-first models of early life. Full article

Glioblastoma (GBM) remains among the most treatment-refractory human malignancies. It is characterized by profound radioresistance and a highly immunosuppressive tumor microenvironment, limiting the durable efficacy of radiotherapy. Beyond direct cytotoxicity, ionizing radiation can induce immunogenic cell death and the release of damage-associated molecular patterns (DAMPs), including surface-exposed calreticulin, HMGB1, extracellular ATP/adenosine, and tumor-derived DNA. These signals engage pattern-recognition receptors and cGAS–STING–type I interferon pathways, transiently promoting antigen presentation and immune activation. In GBM, however, DAMP signaling frequently evolves toward chronic inflammation and immune suppression, characterized by myeloid cell recruitment, adenosine accumulation, and immune checkpoint upregulation, thereby contributing to tumor regrowth and radioresistance. This dual immune-regulatory role of DAMPs highlights the importance of temporal and contextual interpretation of radiation-induced immune responses. In this review, we summarize current mechanistic and translational evidence on DAMP-mediated immunomodulation in GBM radiotherapy; discuss modality-dependent considerations across photon, proton, and high-LET irradiation; and evaluate the emerging potential of DAMPs as dynamic biomarkers of treatment response. We further outline how integration of DAMP profiling with liquid biopsy, imaging, and nanotheranostic platforms may support biologically informed and adaptive radiotherapy strategies for glioblastoma. Full article

Background/Objectives: Fibroblast activation protein (FAP) has emerged as a promising target for oncologic molecular imaging due to its high expression in cancer-associated fibroblasts and low presence in healthy tissues. Among available FAP ligands, [⁶⁸Ga]Ga-FAPi-46 has shown rapid tumor accumulation, low background uptake, and broad tumor applicability. This study reports the successful translation of [⁶⁸Ga]Ga-FAPi-46 from preclinical development to routine clinical radiopharmacy practice, detailing automated synthesis, quality control performance, radiochemical stability, and the first clinical imaging results. Methods: Automated radiolabeling of FAPi-46 with gallium-68 was performed using a synthesis module. Quality control included radiochemical purity assessments by iTLC, SPE, and RP-HPLC (pH, appearance, endotoxin levels, and membrane integrity testing). Radiochemical stability was evaluated in saline (up to 6 h) and human serum (up to 90 min). In vitro characterization included the partition coefficient and serum protein binding determination. A clinical evaluation was conducted in a woman with newly diagnosed lung adenocarcinoma who underwent both [¹⁸F]FDG PET/CT and [⁶⁸Ga]Ga-FAPi-46 PET/CT. Results: Automated synthesis of [⁶⁸Ga]Ga-FAPi-46 achieved a high radiochemical yield (87.9 ± 1.3%) and radiochemical purity greater than 98%. All batches met release specifications for sterility, apyrogenicity, and physicochemical parameters. The radiotracer demonstrated high stability in saline and human serum, with radiochemical purity consistently above 95% at all evaluated time points. The compound showed a hydrophilic profile (LogP = −3.32 ± 0.14) and 40–60% serum protein binding. Clinically, [⁶⁸Ga]Ga-FAPi-46 PET/CT provided superior lesion delineation compared to [¹⁸F]FDG, revealing additional mediastinal, supraclavicular, and brain metastases. Conclusions: [⁶⁸Ga]Ga-FAPi-46 can be reliably synthesized using automated procedures under routine radiopharmacy conditions, meeting regulatory quality standards and demonstrating excellent stability. Its enhanced lesion detectability compared with [¹⁸F]FDG in the first patient case supports its potential value for oncological staging and clinical implementation. Full article

Accurate prediction of CO₂ diffusion in multicomponent fluids is crucial for efficient enhanced oil and gas recovery (EGR) and carbon capture, utilization and storage (CCUS) operations. Conventional experimental methods struggle to accurately reproduce diffusion processes under reservoir conditions and provide limited insight into molecular-scale mechanisms. Therefore, a detailed microscopic understanding of CO₂ diffusion in complex fluids is urgently needed. In this study, the diffusion behavior and underlying mechanism of the CO₂-CH₄-H₂O system under reservoir temperature and pressure conditions were explored using both experimental techniques and molecular dynamics (MD) simulations. The results indicate that at 354.15 K, the diffusion coefficients follow the order D_CH4 > D_CO2 > D_Fick and decrease with increasing pressure. Higher CO₂ concentrations and water content lead to a reduction in D_CO2. Gravity exhibits a relatively minor influence, slightly enhancing D_CO2 while marginally reducing D_CH4. Near the critical point, a significant decrease in the thermodynamic factor indicates drastic changes in thermodynamic properties. Furthermore, the presence of water promotes CO₂ enrichment at the gas-water interface, consequently reducing both D_CO2 and D_CH4. This work provides valuable insights into bulk-phase transport in multicomponent aquifer systems under reservoir conditions and offers theoretical support for optimizing gas injection strategies and improving the efficiency of EGR and CCUS processes. Full article