Effects of external electric fields on the stability and thermal decomposition pathways of triazole-triazine-based energetic materials: a case study of TTX and its derivatives.

Context: High-nitrogen polycyclic compounds have become a research hotspot in the design of new energetic molecules due to their dense nitrogen content, high positive enthalpy of formation, and good structural stability. In particular, the fused structures of triazole and triazine heterocycles can not only enhance energy output but also possess excellent thermal stability. This study focuses on three triazolotriazine energetic compounds: 3,7-dinitro-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-amine (TTX), 7-nitro-3-(1H-tetrazol-5-yl)-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-amine (compound 1), and 3,3'-dinitro-[7,7'-bi[1,2,4]triazolo[5,1-c][1,2,4]triazine]-4,4'-diamine (compound 2).

CREB-mediated sensing of bacterial membrane vesicles unveils a conserved host defense pathway.

Bacterial membrane vesicles (MVs) are critical mediators of virulence factor delivery and intercellular communication, yet the mechanisms by which hosts detect and respond to these vesicles remain poorly characterized. Through transcriptional profiling, we found that MVs derived from the non-lethal pathogenic Erwinia carotovora carotovora 15 (Ecc15) robustly induce reactive oxygen species (ROS) production and systemically upregulate Jon genes-a family of immune-related genes-in the Drosophila intestine 24 h post-infection. Strikingly, these effects contrast with transcriptional changes observed upon gut-specific overexpression of CRTC, the coactivator of the conserved transcription factor cAMP response element-binding protein (CREB).

Injectable hydrogels based on mussel-inspired nanocomposite microspheres for non-compressible intra-abdominal hemorrhage control.

The development of hemostatic materials for non-compressible intra-abdominal hemorrhage in complex pre-hospital emergency settings remains a formidable challenge. A novel injectable hydrogel based on mussel-inspired nanocomposite microspheres was designed. The biocompatible hydrogel was formed by hydrating gelatin methacryloyl (GelMA) cryogel microspheres-reinforced with polydopamine (PDA)-intercalated nanoclay-with sterile saline, offering the dual benefits of convenient storage of microspheres and precise delivery to deep bleeding points via injection.

Electrostatic field modulation of high-nitrogen heterocycles: a computational study on energy and stability.

Context: In this study, the effect of external electric field (EEF) on three kinds of high nitrogen heterocyclic compounds with different ring structures (PA-1 ~ 3, oxadiazole, triazole, and tetrazole) was investigated by quantum chemical calculation. By using B3LYP/6-311G + (d, p) theory and Laplace bond order (LBO) analysis, the trigger bond was determined, and further EEF was applied along the X/Y/Z axis (0-0.02 a.

Quantum chemical calculations based on 4,5-di(1,2,4-oxadiazol-3-yl)-2H-1,2,3-triazole and 3,3' -(2H-1,2,3-triazole-4,5-diyl)-bis(1,2,4-oxadiazol-5(4H)-one) derivatives: a DFT study.

Context: 1,2,3-Triazole has excellent thermal stability, and both 1,2,3-triazole and 1,2,4-oxazolium are good in structural modifiability. This study employed density functional theory (DFT) to design 24 target compounds (designated PA-1 to PA-24) based on the characteristics of these two heterocyclic systems. Using 4,5-diallyl-2H-1,2,3-triazole-3,3'-(2H-1,2,3-triazole-4,5-diyl)-bis(1,2,4-oxadiazol-5(4H)-one) as the parent compound (labeled A1), we introduced different energetic substituents at the C3 position of the oxadiazole ring and the N2 position of the triazole ring.

Pathogen Profiling and Molecular Evaluation Along With In Silico Modeling of Voltage-Gated Sodium Channel Gene in Deltamethrin Exposed Haemaphysalis longicornis Ticks.

Haemaphysalis longicornis is associated with the transmission of 30 various types of pathogens, having medical and veterinary importance. Hence, this study was designed to investigate the prevailing pathogen in Zhangjiachuan county, Gansu province, China. For the said purpose, we performed a molecular investigation of Rickettsia and Piroplasms pathogens in morpho-molecularly confirmed H.

Structure and properties of 1,3,5-triazine and 1,2,4-triazole linked energetic derivatives with varied energetic functional groups.

Context: A series of 49 derivatives, designed as the A series, were theoretically modeled by connecting 1,3,5-triazine and 1,2,4-triazole moieties via a direct C-N linkage. The properties of these compounds, incorporating various substituent combinations, were systematically investigated. Computational analysis revealed that nitro, nitrate ester, and nitramino groups significantly enhance the oxygen balance of the designed energetic molecules.

Substrate-Controlled Divergent Synthesis of Multisubstituted Cyclopentenones and 1,4-Diketones.

Multisubstituted cyclopentenones and 1,4-diketones are valuable chemicals for synthesizing biologically relevant compounds. We established the Rh(III)-catalyzed divergent synthesis of multisubstituted cyclopentenones and 1,4-diketones from quinoline-8-carbaldehydes and cyclopropanols. Switchable product selectivity was achieved using different cyclopropyl alcohols under the optimized reaction conditions.

Study on the electronic structure and molecular response mechanism of triazole derivatives under electric field regulation.

Context: This article selects three excellent energetic materials: [4,4'-Bi-4H-1,2,4-triazole]-3,3'-diamine (1); 5H-1,2,4-triazolo [4,3-b] [1,2,4] triazole-3,6-diamine (2); and 4,4'-(1E)-1,2-diazenediylbis [4H-1,2,4-triazol-3-amine] (3). Use density functional theory to study molecular structure, surface electrostatic potential, molecular frontier orbitals, and density of states. The X-axis EEF is enhanced by 1 and 3, but weakened by 2; the Y-axis EEF has an enhancing effect on 2, but weakens 1 and 3.

Regioisomerism effects on the thermal decomposition mechanism of fused triazole-based high-nitrogen compounds: a DFT study.

Context: High-nitrogen fused-ring compounds are promising candidates for energetic materials due to their high energy density and good thermal stability. As a molecular design strategy, regioisomerism has been widely applied in pharmaceuticals and functional materials. However, its effect on the performance of high-nitrogen fused energetic materials has not yet been systematically investigated.

Current trends and future projection for addressing the burden of esophageal carcinoma in Asia: a comprehensive analysis (1990-2040).

Background: Esophageal carcinoma (EC) significantly impacts global health, particularly in Asia, where many low- and middle-income countries face substantial burdens despite advancements in some regions.

Objective: This study analyzed EC's spatial and temporal distribution in Asia using the Global Burden of Disease (GBD) database, aiming to forecast future burdens and support effective prevention strategies.

Methods: Data from 48 Asian countries (1990-2021) were extracted from the GBD database, covering incidence, prevalence, deaths, disability-adjusted life years (DALYs), risk factors, and socio-demographic index (SDI).

promotes metastasis of breast cancer via the miR-21-3p/FOXO3 axis.

Purpose: This study aims to investigate the impact of Fusobacterium nucleatum (F. nucleatum) infection on distant metastasis in breast cancer and its underlying mechanisms.

Materials: Clinical breast cancer samples were collected, and F.

Extracting Neutron-Neutron Interaction Strength and Spatiotemporal Dynamics of Neutron Emission from the Two-Particle Correlation Function.

The neutron-neutron (nn) correlation function has been measured in 25  MeV/u ^{124}Sn+^{124}Sn reactions. Using the Lednický-Lyuboshitz approach, the nn scattering length and effective range (f_{0}^{nn}, d_{0}^{nn}), as well as the reduced space-time size R^{(0)} of the neutron emission source are simultaneously extracted as (18.9_{-1.

Modulation of Estrogen Receptor Activity by the Phytoalexin Tuberosin Produced from Elicited Kudzu ().

Kudzu's invasive nature has contributed to its classification as a weed, as it frequently outcompetes native plant species, leading to extensive overgrowth. Efforts to control kudzu have proven challenging, with moderate success using physical or biological agents. In this study, we evaluated the effects of two such control agents, ultraviolet C radiation and , to significantly increase the production of tuberosin, a phytoalexin isoflavone.

Gram-negative intratumoral bacteria mediate lymph node metastasis through LPS-TLR4/MAPK signaling pathway in cervical cancer.

Background: Intratumoral bacteria have been identified as prevalent in various solid tumors, playing a significant role in tumor progression. Lymph node metastasis is a major clinical feature and the primary cause of mortality in cervical cancer (CC). However, the effect of intratumoral bacteria on lymphatic node metastasis in CC remains unclear.

Restoring calcium crosstalk between ER and mitochondria promotes intestinal stem cell rejuvenation through autophagy in aged Drosophila.

Breakdown of calcium network is closely associated with cellular aging. Previously, we found that cytosolic calcium (CytoCa) levels were elevated while mitochondrial calcium (MitoCa) levels were decreased and associated with metabolic shift in aged intestinal stem cells (ISCs) of Drosophila. How MitoCa was decoupled from the intracellular calcium network and whether the reduction of MitoCa drives ISC aging, however, remains unresolved.

Carbapenem-resistant Gram-negative bacteria exhibiting clinically undetected cefiderocol heteroresistance leads to treatment failure in a murine model of infection.

Introduction: Carbapenem-resistant (CR) Gram-negative pathogens are classified by the WHO as critical threats due to limited therapeutic options. Cefiderocol (CFD), a novel siderophore cephalosporin, shows promise but remains unapproved in China. This study investigated the prevalence, clinical impact, and genetic mechanisms of cefiderocol heteroresistance (CFD-HR) in CR and ESBL-producing clinical isolates from China, where CFD remains unapproved.

HJURP modulates cell proliferation and chemoresistance via the MYC/TOP2A transcriptional axis in gastric cancer.

Background: The histone chaperone Holliday Junction Recognition Protein (HJURP) has been associated with multiple types of cancers, but its role in GC is not yet fully understood. Considering its functions in centromere stability and DNA repair, investigating HJURP's role in GC may offer novel therapeutic perspectives.

Methods: HJURP expression was examined in a dataset comprising TCGA-STAD samples and an internal group of GC patients, utilizing RNA sequencing and Western blot techniques.

Pathogenic profiles and lower respiratory tract microbiota in severe pneumonia patients using metagenomic next-generation sequencing.

Introduction: The homeostatic balance of the lung microbiota is important for the maintenance of normal physiological function of the lung, but its role in pathological processes such as severe pneumonia is poorly understood.

Methods: We screened 34 patients with community-acquired pneumonia (CAP) and 12 patients with hospital-acquired pneumonia (HAP), all of whom were admitted to the respiratory intensive care unit. Clinical samples, including bronchoalveolar lavage fluid (BALF), sputum, peripheral blood, and tissue specimens, were collected along with traditional microbiological test results, routine clinical test data, and clinical treatment information.

Novel_circ_0004013 targeting miR-29a-3p affects age-related hearing loss in miR-29a mouse model by RNA-seq analysis.

Age-related hearing loss (ARHL) is a gradual, symmetrical sensorineural disorder. Exploring the pathogenesis of ARHL from a biological perspective is important for its treatment. In this study, we analyzed the circRNA expression profiles of 2-month-old miR-29a mice and miR-29a mice by transcriptome sequencing to investigate the role of circRNAs in ARHL.

Unveiling the heterosis pattern of modern maize breeding in Southwest China through population structure and genetic diversity analysis.

Maize (Zea mays L.) is an important food crop throughout the world and is also one of the earliest crops to use heterosis. In this study, we evaluated the genetic diversity, population structure, and selective sweep of 100 elite inbred maize lines collected from the current breeding program in Sichuan province, Southwest China, using 5,261,175 high-quality single nucleotide polymorphisms (SNPs).

Integrating bioinformatics with experimental validation unveils immunological and prognostic significance of PVRIG in pan-cancer.

The poliovirus receptor-related immunoglobulin domain-containing protein (PVRIG) is a recently identified immune checkpoint receptor predominantly expressed on natural killer and CD8 + T cells. This study investigated the role of PVRIG in the tumor immune microenvironment and its prognostic significance across various cancers. Using bioinformatics analyses, the study revealed that PVRIG expression is associated with immune cell infiltration, immune modulator gene expression, clinical outcomes, CD8 + T cell functionality, and responses to immunotherapies and targeted treatments.

Nickel-Mediated Ring Expansion Reactions of Benzocyclobutenones for Selective Construction of 5,7-Dihydro-6-dibenzo[,][7]annulen-6-ones and 1-Isochromen-1-ones.

Herein, we report the development of a general ring expansion strategy that involves the formal self-dimerization of benzocyclobutenones (BCBs) through nickel catalysis. These formal self-dimerizations of BCBs are efficient and scalable and provide a facile and unique construction of diverse seven-membered ring ketones and 1-isochromen-1-ones with high structural diversity. Moreover, the solvent effects and CO atmosphere play a crucial role in promoting CO exclusion, which may address regioselectivity control toward the (4 + 4 - 1) product, while NaOAc as an additive under a N atmosphere promoted (4 + 2) product formation.

The influence of external electric field on the structure of pentazole ionic salt.

Context: Pentazole ion salt is a cutting-edge new type of all-nitrogen ion high-energy material. When subjected to an external electric field (EEF), the structure and various properties of pentazole ion salts are altered. This article studied six types of pentazole ion salts (PA-1 ~ PA-6) under an external electric field (intensity 0 ~ 0.

Structure and properties of pentazole ionic salts.

Context: Based on the periodic density functional theory, we systematically studied 13 kinds of anhydrous pentazole non-metallic ionic salts synthesized by other scientists (PA-1 ~ PA-13)[Chem-An Asian J, 13(8):924-928 6, J Am Chem Soc 140(48):16488-16494 7, J Mater Chem A 7(20):12468-12479 8, Chem-An Asian J 14(16):2877-2882 9]. The results show the following: first, the heat of formation of PA-1 ~ PA-13 exceeds that of TNT and RDX. The heat of formation of PA-9 reaches 1357.