Towards new bioactive fluorine-containing 1,3,4-oxadiazole-amide derivatives: synthesis, antibacterial activity, molecular docking and molecular dynamics simulation study.

Through the approach of molecular hybridization, this study rationally designed and synthesized new trifluoromethyl-1,3,4-oxadiazole amide derivatives, denoted as 1a-1n. The findings reveal that these novel molecules exhibit potent inhibitory effects against various bacterial strains. Thereinto, compounds 1c, 1d, 1i, 1j and 1n, demonstrate relatively superior antimicrobial performance against B. cereus FM314, with a minimum inhibitory concentration (MIC) of 0.03907 µg/mL. Molecular docking analysis suggests the potential importance of the Ser57 and Thr125 amino acid residues (PDB ID: 4EI9) in contributing to the inhibitory activity against B. cereus. The consistency of these results was further corroborated through subsequent molecular dynamics simulations and MMPBSA validations. The insights gained from this study serve to facilitate the rational design and efficient development of novel eco-friendly antimicrobial inhibitors based on the trifluoromethyl-1,3,4-oxadiazole amide scaffold.

Comparative Metabolome and Transcriptome Analyses Reveal Differential Enrichment of Metabolites with Age in Panax notoginseng Roots.

Panax notoginseng is a perennial plant well known for its versatile medicinal properties, including hepatoprotective, antioxidant, anti-inflammatory, anti-tumor, estrogen-like, and antidepressant characteristics. It has been reported that plant age affects the quality of P. notoginseng. This study aimed to explore the differential metabolome and transcriptome of 2-year (PN2) and 3-year-old (PN3) P. notoginseng plant root samples. Principal component analysis of metabolome and transcriptome data revealed major differences between the two groups (PN2 vs. PN3). A total of 1813 metabolites and 28,587 genes were detected in this study, of which 255 metabolites and 3141 genes were found to be differential (p < 0.05) between PN2 vs. PN3, respectively. Among differential metabolites and genes, 155 metabolites and 1217 genes were up-regulated, while 100 metabolites and 1924 genes were down-regulated. The KEGG pathway analysis revealed differentially enriched metabolites belonging to class lipids ("13S-hydroperoxy-9Z, 11E-octadecadionic acid", "9S-hydroxy-10E, 12Z-octadecadionic acid", "9S-oxo-10E, 12Z-octadecadionic acid", and "9,10,13-trihydroxy-11-octadecadionic acid"), nucleotides and derivatives (guanine and cytidine), and phenolic acids (chlorogenic acid) were found to be enriched (p < 0.05) in PN3 compared to PN2. Further, these differentially enriched metabolites were found to be significantly (p < 0.05) regulated via linoleic acid metabolism, nucleotide metabolism, plant hormone signal transduction, and arachidonic acid metabolism pathways. Furthermore, the transcriptome analysis showed the up-regulation of key genes MAT, DMAS, SDH, gallate 1-beta-glucosyltransferase, and beta-D-glucosidase in various plants' secondary metabolic pathways and SAUR, GID1, PP2C, ETR, CTR1, EBF1/2, and ERF1/2 genes observed in phytohormone signal transduction pathway that is involved in plant growth and development, and protection against the various stressors. This study concluded that the roots of a 3-year-old P. notoginseng plant have better metabolome and transcriptome profiles compared to a 2-year-old plant with importantly enriched metabolites and genes in pathways related to metabolism, plant hormone signal transduction, and various biological processes. These findings provide insights into the plant's dynamic biochemical and molecular changes during its growth that have several implications regarding its therapeutic use.

Laboratory evidence of Weibel magnetogenesis driven by temperature gradient using three-dimensional synchronous proton radiography.

The origin of the cosmic magnetic field remains an unsolved mystery, relying not only on specific dynamo processes but also on the seed field to be amplified. Recently, the diffuse radio emission and Faraday rotation observations reveal that there has been a microgauss-level magnetic field in intracluster medium in the early universe, which places strong constraints on the strength of the initial field and implies the underlying kinetic effects; the commonly believed Biermann battery can only provide extremely weak seed of 10-21 G. Here, we present evidence for the spontaneous Weibel-type magnetogenesis in laser-produced weakly collisional plasma with the three-dimensional synchronous proton radiography, where the distribution anisotropy directly arises from the temperature gradient, even without the commonly considered interpenetrating plasmas or shear flows. This field can achieve sufficient strength and is sensitive to Coulomb collision. Our results demonstrate the importance of kinetics in magnetogenesis in weakly collisional astrophysical scenarios.

Combination of nucleic acid amplification and CRISPR/Cas technology in pathogen detection.

Major health events caused by pathogenic microorganisms are increasing, seriously jeopardizing human lives. Currently PCR and ITA are widely used for rapid testing in food, medicine, industry and agriculture. However, due to the non-specificity of the amplification process, researchers have proposed the combination of nucleic acid amplification technology with the novel technology CRISPR for detection, which improves the specificity and credibility of results. This paper summarizes the research progress of nucleic acid amplification technology in conjunction with CRISPR/Cas technology for the detection of pathogens, which provides a reference and theoretical basis for the subsequent application of nucleic acid amplification technology in the field of pathogen detection.

Effect of the bonding layer and multigrading layers on the performance of a wafer-bonded InGaAs/Si single-photon detector.

A wafer-bonded InGaAs/Si avalanche photodiode (APD) at a wavelength of 1550 nm was theoretically simulated. We focused on the effect of the I n 1-x G a x A s multigrading layers and bonding layers on the electric fields, electron and hole concentrations, recombination rates, and energy bands. In this work, I n 1-x G a x A s multigrading layers inserted between Si and InGaAs were adopted to reduce the discontinuity of the conduction band between Si and InGaAs. A bonding layer was introduced at the InGaAs/Si interface to isolate the mismatched lattices to achieve a high-quality InGaAs film. In addition, the bonding layer can further regulate the electric field distribution in the absorption and multiplication layers. The wafer-bonded InGaAs/Si APD, structured by a polycrystalline silicon (poly-Si) bonding layer and I n 1-x G a x A s multigrading layers (x changes from 0.5 to 0.85), displayed the highest gain-bandwidth product (GBP). When the APD operates in Geiger mode, the single-photon detection efficiency (SPDE) of the photodiode is 20%, and the dark count rate (DCR) is 1 MHz at 300 K. Moreover, one finds that the DCR is lower than 1 kHz at 200 K. These results indicate that high-performance InGaAs/Si SPAD can be achieved through a wafer-bonded platform.

Orbital competition of Mn3+and V3+ions in Mn1+xV2-xO4.

The structure and magnetic properties of Mn1+xV2-xO4(0 < x ≤1) have been investigated by the heat capacity, magnetization, x-ray diffraction and neutron diffraction measurements, and a phase diagram of temperature versus composition was built up: For x ≤ 0.3, a cubic-to-tetragonal (c > a) phase transition was observed; For x > 0.3, the system kept the tetragonal lattice. Although the collinear and noncollinear magnetic transition of V3+ions was obtained in all compositions, the canting angles between V3+ions decreased with Mn3+-doping and the ordering of Mn3+ions was only observed as x > 0.4. In order to study the dynamics of the ground state, the first principle simulation was applied to analyze not only the orbital effects of Mn2+, Mn3+, and V3+ions, but also the related exchange energies.

DOSIMETRIC EVALUATION OF LASER-DRIVEN X-RAY AND NEUTRON SOURCES UTILIZING XG-III PS LASER WITH PEAK POWER OF 300 TERAWATT.

Current short-pulse high-intensity lasers can accelerate electrons and proton/ions to energies of giga-electron volts. For certain advanced applications, laser-accelerated electrons and protons are optimised for high-energy X-ray and neutron generation at the XG-III picosecond (ps) laser beamline. These energetic X-ray and neutron beams can significantly affect radiation safety at the facility; therefore, proper evaluation of the radiological hazards induced by laser-driven X-ray and neutron sources is required. This study presents a dosimetric evaluation of laser-driven X-ray and neutron sources at the XG-III ps laser beamline. The 'source terms' of the laser-accelerated electrons and protons are characterised utilising the particle-in-cell method and an analytical model, respectively. The Monte Carlo code FLUKA is used to calculate prompt and residual dose yields due to all radiation field components and the number of residual activated nuclei. Our results can provide a reference for radiation hazard analysis at short-pulse high-intensity laser facilities worldwide.

Measurements of X-ray doses and spectra produced by picosecond laser-irradiated solid targets.

Experiments have shown that high-intensity laser interaction with a solid target can generate significant X-ray doses. This study was conducted to determine the X-ray doses and spectra produced for picosecond laser-irradiated solid targets. The photon doses and X-ray spectra in the laser forward and side directions were measured using an XG III ps 300 TW laser system. For laser intensities of 7×1018-4×1019W/cm2, the maximum photon dose was 16.8 mSv at 50cm with a laser energy of ~153J on a 1-mm Ta target. The photon dose in the forward direction increased more significantly with increasing laser intensity than that in the side direction. For photon energies >300keV, the X-ray spectrum can be fit with an effective temperature distribution of the exponential form, dN/dE = k× exp(-E/Tx). The X-ray temperature Tx increased with the laser intensity in the forward direction with values of 0.46-0.75MeV. Tx was less strongly correlated with the laser intensity in the side direction with values of 0.29-0.32MeV. The escaping electron spectrum was also measured. The measured electron temperature was correlated with the electron temperature predicted by the ponderomotive law. The observations in this experiment were also investigated numerically. A good agreement was observed between the experimental and simulation results.