Effects of Yinchenhao Decoction () for Non-alcoholic Steatohepatitis in Rats and Study of the Mechanism

ObjectiveTo observe the effects of Yinchenhao Decoction () for non-alcoholic steatohepatitis (NASH) in rats and study the mechanism.MethodsTotal 18 male SD rats were randomly divided into a normal control group, a model group and a treatment group, 6 rats in each group. Rats in the model and treatment groups were fed with high-fat forage for 10 weeks to prepare the NASH model, and the rats in the treatment group were administrated with Yinchenhao Decoction from the 6th week for 5 weeks. All rats were sacrificed at the end of the10th week and the samples were collected. Serum alanine aminotransferase (ALT) activity, tumor necrosis factor-α (TNF-α) level, and hepatic triglyceride (TG) and free fatty acid (FFA) contents were determined. Hepatic pathological changes were detected by HE staining.ResultsSerum ALT activity, TNF-α level, hepatic TG and FFA contents, and the fatty deposition in hepatocytes were significantly reduced in the rats of the treatment group.ConclusionYinchenhao Decoction has good therapeutic effects for NASH, protecting the liver function and reducing the fatty deposition in liver, which are possibly related with reduction of FFA content and inhibition of TNF-α expression

Combining linear-scaling quantum transport and machine-learning molecular dynamics to study thermal and electronic transports in complex materials

We propose an efficient approach for simultaneous prediction of thermal and electronic transport properties in complex materials. Firstly, a highly efficient machine-learned neuroevolution potential is trained using reference data from quantum-mechanical density-functional theory calculations. This trained potential is then applied in large-scale molecular dynamics simulations, enabling the generation of realistic structures and accurate characterization of thermal transport properties. In addition, molecular dynamics simulations of atoms and linear-scaling quantum transport calculations of electrons are coupled to account for the electron-phonon scattering and other disorders that affect the charge carriers governing the electronic transport properties. We demonstrate the usefulness of this unified approach by studying thermoelectric transport properties of a graphene antidot lattice.Comment: 8 pages, 4 figure

Anisotropic and high thermal conductivity in monolayer quasi-hexagonal fullerene: A comparative study against bulk phase fullerene

Recently a novel two-dimensional (2D) C$_{60}$ based crystal called quasi-hexagonal-phase fullerene (QHPF) has been fabricated and demonstrated to be a promising candidate for 2D electronic devices [Hou et al. Nature 606, 507-510 (2022)]. We construct an accurate and transferable machine-learned potential to study heat transport and related properties of this material, with a comparison to the face-centered-cubic bulk-phase fullerene (BPF). Using the homogeneous nonequilibrium molecular dynamics and the related spectral decomposition methods, we show that the thermal conductivity in QHPF is anisotropic, which is 137(7) W/mK at 300 K in the direction parallel to the cycloaddition bonds and 102(3) W/mK in the perpendicular in-plane direction. By contrast, the thermal conductivity in BPF is isotropic and is only 0.45(5) W/mK. We show that the inter-molecular covalent bonding in QHPF plays a crucial role in enhancing the thermal conductivity in QHPF as compared to that in BPF. The heat transport properties as characterized in this work will be useful for the application of QHPF as novel 2D electronic devices.Comment: 11 pages, 12 figure

Physiological and Metabolomic Alterations in Macrocystis pyrifera upon Exposure to Chromium(VI)

1593-1599In order to comprehensively characterize the effects of chromium (VI) on physiological and metabonomic performance of Macrocystis pyrifera, the sporophytes were exposed to 2 mg L-1 potassium dichromate for 3 days. M. pyrifera sporophytes showed decreased pigment content and Chla fuloresecnece parameters with the accumulation of Cr(VI). The carbon content was clearly increased, while the content of nitrogen, hydrogen and sulfur were little changed. Moreover, an untargeted metabolomic analysis was carried out in order to investigate the metabolic effects and to obtain a comprehensive profiling of induced metabolites during Cr stress. Absolute quantification of 14 different metabolites was obtained through GC-MS methods. The principal component analysis showed a clear separation between control and Cr treated samples. Some pathways including carbon fixation, sulfur metabolism, taurine and hypotaurine metabolism were affected by Cr (VI) stress. These findings provided valuable information to elucidate the mechanism of M. pyrifera upon Cr (VI) stress

Aqua­(1H-benzimidazole-κN 3)(pyridine-2,6-dicarboxyl­ato-κ3 O 2,N,O 6)copper(II) 0.75-hydrate

The title complex, [Cu(C7H3NO4)(C7H6N2)(H2O)]·0.75H2O, consists of discrete monomeric units. The CuII atom is coordinated by two carboxyl­ate O atoms and the N atom from a dipicolinate unit and by an N atom from a benzimidazole ligand. The distorted square-pyramidal geometry is completed by a longer axial bond to the O atom of a water mol­ecule. The mol­ecular structure and packing are stabilized by classical O—H⋯O and N—H⋯O hydrogen bonds, also including a disordered crystal water molecule

Gut microbiota and its metabolic products in acute respiratory distress syndrome

The prevalence rate of acute respiratory distress syndrome (ARDS) is estimated at approximately 10% in critically ill patients worldwide, with the mortality rate ranging from 17% to 39%. Currently, ARDS mortality is usually higher in patients with COVID-19, giving another challenge for ARDS treatment. However, the treatment efficacy for ARDS is far from satisfactory. The relationship between the gut microbiota and ARDS has been substantiated by relevant scientific studies. ARDS not only changes the distribution of gut microbiota, but also influences intestinal mucosal barrier through the alteration of gut microbiota. The modulation of gut microbiota can impact the onset and progression of ARDS by triggering dysfunctions in inflammatory response and immune cells, oxidative stress, cell apoptosis, autophagy, pyroptosis, and ferroptosis mechanisms. Meanwhile, ARDS may also influence the distribution of metabolic products of gut microbiota. In this review, we focus on the impact of ARDS on gut microbiota and how the alteration of gut microbiota further influences the immune function, cellular functions and related signaling pathways during ARDS. The roles of gut microbiota-derived metabolites in the development and occurrence of ARDS are also discussed

Piperazine-1,4-diium bis­(3,5-dicarboxy­benzoate)

The asymmetric unit of the title salt, C4H12N2 2+·2C9H5O6 −, comprises one half of the piperazine-1,4-diium dication lying on an inversion centre and one 3,5-dicarboxy­benzoate anion. In the crystal, the ions are linked into a two-dimensional framework parallel to (101) by N—H⋯O and O—H⋯O hydrogen bonds