The concept of superhalogen was proposed for more than 40 years, and it has never been associated with planar tetracoordinate fluorine (ptF) species. In this work, using Li as the ligands and Cl, Br, I as the auxiliary atoms, we have designed the star-like FLiX (X = Cl, Br, I) clusters, which contain the ptF at the centers. They are all global minima (GMs) based on unbiased searches on the potential energy surfaces.
View Article and Find Full Text PDFA hydrocopper H©CuH star with planar pentacoordinate hydrogen (ppH) was designed. This structure is the global minimum, exhibiting dynamic stability. Its planar geometry is supported by five peripheral Cu-H-Cu 3c-2e σ-bonds and a central 6c-2e σ-bond.
View Article and Find Full Text PDFPlanar tetracoordinate fluorine (ptF) species are very exotic and scarce due to high electronegativity of fluorine. Herein we report the ternary square ptF cluster, FKH, which is composed of a F center, a square K ring, and four outer H bridges. It is a true global minimum (GM) structure and possesses good dynamic stability.
View Article and Find Full Text PDFJ Phys Chem A
September 2024
Boron-based clusters containing planar tetracoordinate carbon (ptC) are unique and scarce. Isoelectronic-replacing after proper vulcanization is an effective strategy to obtain the ptC based on the B cluster. Herein we report computational evidence for a ternary CBS (, A) cluster, which possesses a concentric double-triangle structure containing one ptC atom at the peripheral edge.
View Article and Find Full Text PDFAmong the known planar pentacoordinate atoms, chlorine is missing due to its large radius and high electronegativity. Herein, we report the first star-like superhalogen anion Cl©LiCl (), which contains a planar pentacoordinate chlorine (ppCl) at the center. Computer structural searches and high-level calculations reveal that is a true global minimum (GM) on the potential energy surfaces.
View Article and Find Full Text PDFHerein we report a square-like H©KH anion with one planar tetracoordinate hydrogen (ptH) center, which is the global minimum (GM) structure and possesses good dynamic stability. The planar structure of the system is preserved by four peripheral K-H-K three-center two-electron (3c-2e) σ bonds together with one 5c-2e σ bond over the HK core. The multicenter ionic bonds dominate the stability of ptH, while the contribution of qualitative σ aromaticity is extremely limited.
View Article and Find Full Text PDFHyperlipidemia caused by abnormal lipid metabolism has reached epidemic proportions. This phenomenon is also common in companion animals. Previous studies showed that AEE significantly improves abnormal blood lipids in hyperlipidemia rats and mice, but its mechanism is still not clear enough.
View Article and Find Full Text PDFBackground: EH-2090 is Mindray's new-generation fully automatic urine formed element analyzer (hereinafter referred to as EH-2090). Currently, there are no studies on EH-2090, so we evaluated the analytical and clinical performance of this instrument to verify that it can meet daily clinical needs, and used manual microscopy as a reference method.
Methods: The analytical performance of the EH-2090 was first evaluated for repeatability, linearity, reproducibility, and carryover.
Resveratrol (RSV), a polyphenol, is known to have a wide range of pharmacological properties in vitro. RSV may have therapeutic value for various neurodegenerative diseases via neuroprotective effects. However, it is not yet clear whether RSV can induce intestinal-brain interactions.
View Article and Find Full Text PDFChem Commun (Camb)
January 2024
Replacing one of the peripheral Se with a Se bridge is an effective strategy to flatten the CBSe cluster. The global minimum of CB4Se contains one fan-shaped planar tetracoordinate carbon (ptC) CB core, possessing double 2π + 6σ aromaticity. The peripheral Se bridge is dexterous and crucial for the stability of CBSe.
View Article and Find Full Text PDFPathogenic Escherichia coli (E. coli) can cause intestinal diseases in humans and livestock, damage the intestinal barrier, increase systemic inflammation, and seriously threaten human health and the development of animal husbandry. In this study, we designed and synthesized a novel conjugate florfenicol sulfathiazole (FST) based on drug combination principles, and investigated its antibacterial activity in vitro and its protective effect on inflammatory response and intestinal barrier function in E.
View Article and Find Full Text PDFFront Cell Dev Biol
November 2023
The placenta, being a temporary organ, plays a crucial role in facilitating the exchange of nutrients and gases between the mother and the fetus during pregnancy. Any abnormalities in the development of this vital organ not only lead to various pregnancy-related disorders that can result in fetal injury or death, but also have long-term effects on maternal health. models have been employed to study the physiological features and molecular regulatory mechanisms of placental development, aiming to gain a detailed understanding of the pathogenesis of pregnancy-related diseases.
View Article and Find Full Text PDFBiomed Pharmacother
November 2023
Atherosclerosis is a chronic immune inflammatory disease. Aspirin eugenol ester (AEE) is a novel safe and non-toxic compound with many pharmacological effects such as anti-inflammatory, anti-hyperlipidemic and anti-thrombotic action. In order to investigate the effect of AEE on the inhibition of aortic lipid plaque formation and macrophage-derived foam cell formation induced by oxidized low density lipoprotein (ox-LDL), in vivo atherosclerosis model by feeding ApoE mice with a high-fat diet and foam cells formation in vitro model by ox-LDL-induced RAW264.
View Article and Find Full Text PDFBiomed Pharmacother
October 2023
Background: Exosomes play an essential role in maintaining normal brain function due to their ability to cross the blood-brain barrier. Aspirin eugenol ester (AEE) is a new medicinal compound synthesized by the esterification of aspirin with eugenol using the prodrug principle. Aspirin has been reported to have neuroprotective effects and may be effective against neurodegenerative diseases.
View Article and Find Full Text PDFAs one of the important probes of chemical bonding, planar tetracoordinate carbon (ptC) compounds have been receiving much attention. Compared with ptC clusters, the heavier planar tetracoordinate silicon, germanium, tin, lead (ptSi/Ge/Sn/Pb) systems are scarcer and more exotic. The 18-valence-electron (ve)-counting is one important guide, though not the only rule, for the design of planar tetra-, penta-coordinate carbon and silicon clusters.
View Article and Find Full Text PDFPurpose: To compare the performance of Neutrophil-to-Lymphocyte Ratio (NLR) with that of Platelet-to-Lymphocyte Ratio (PLR) in diagnosing neonatal sepsis (NS).
Methods: PubMed and Embase were searched for relevant studies from the inception of the databases to May, 2022. The pooled sensitivity (SEN), specificity (SPE), and area under the receiver operator characteristic curve (AUC) were measured.
Resveratrol has anti-inflammatory, anti-cancer, and anti-aging pharmacological activities. There is currently a gap in academic research regarding the uptake, transport, and reduction of HO-induced oxidative damage of resveratrol in the Caco-2 cell model. This study investigated the role of resveratrol in the uptake, transport, and alleviation of HO-induced oxidative damage in Caco-2 cells.
View Article and Find Full Text PDFPlanar tetracoordinate carbon (ptC) species are scarce and exotic. Introducing four peripheral Te/Po auxiliary atoms is an effective strategy to flatten the tetrahedral structure of CAl (, A). Neutral CAlX (X = Te, Po) clusters possess quadrangular star structures containing perfect ptC centers.
View Article and Find Full Text PDFIn this work, we analyzed the bonding and fluxional character of the global minimum of CAl. Its structure is formed by two stacked layers, one of them resembles the well-known planar tetracoordinate carbon CAl on top of a hexagonal Al@Al wheel. Our results show that the CAl fragment rotates freely around the central axis.
View Article and Find Full Text PDFHypercoordinate transition-metal species are mainly dominated by the 18-valence-electron (18ve) counting. Herein, we report ternary MAlS (M = Ni, Pd, Pt) clusters with the planar hexacoordinate metal (phM) centers, which feature 16ve counting instead of the classic 18ve rule. These global-minimum clusters are established via unbiased global searches, followed by PBE0 and single-point CCSD(T) calculations.
View Article and Find Full Text PDFHyperlipidemia is induced by abnormal lipid metabolism, which can cause the occurrence of cardiovascular diseases and lead to grievous injury to health. Studies showed that AEE had a significant therapeutic effect on hyperlipidemia and is likely to be associated with the up-regulation of cholesterol 7-alpha hydroxylase (CYP7A1), the key enzyme for cholesterol conversion to bile acids, but no research confirmed whether the effect of AEE on hyperlipidemia was related to the gut microbiota and liver lipids. At the same time, more and more studies have shown that gut microbiota and lipids are closely related to hyperlipidemia.
View Article and Find Full Text PDFinfection (CDI) in human and animals belonged usually to antibiotic-associated diarrhea, ranging in severity from mild to life-threatening intestinal tract illnesses. This study aimed to isolation and characterization, toxin genes test, molecular typing, and drug sensitivity of () which were isolated from clinical diseased dogs and cats. A total of 247 clinical samples were collected from five animal hospitals in Lanzhou City of Northwest China, of which dogs and cats accounted for 74.
View Article and Find Full Text PDFWe systematically explore the potential energy surface of the BAl combination of atoms. The putative global minimum corresponds to a structure formed by an Al square facing a B triangle. Interestingly, the dynamical behavior can be described as a Reuleaux molecular triangle since it involves the rotation of the B triangle at the top of the Al square.
View Article and Find Full Text PDFinfection (CDI) has been widely reported in human and animals around the world over the past few decades. The high relapse rate and increasing drug resistance of CDI make the discovery of new agents against fairly urgent. This study aims to investigate the antibacterial activity against from traditional Chinese herb medicine and confirm its active components.
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