Investigation on the Coordination Bonding Nature of Actinide-Doped Endohedral Borospherenes An@B (An = U, Np, Pu, Am, Cm).

Endohedral metallo-borospherenes M@B have received considerable attention since the discovery of B in 2014. However, the coordination bonding nature of most of actinide-doped endohedral An@B still remains in dispute or unexplored. Extensive and systematic first-principles theory calculations performed herein unveil the ground states of triplet U@B (, , A), quartet U@B (, , B), quintet Np@B (, , A), sextet Np@B (, , A), septet Pu@B (, , A), octet Am@B (, , A), and octet Cm@B (, , A) at the coupled-cluster with triple excitations CCSD(T) level.

Ling-Gui-Zhu-Gan decoction protects against doxorubicin-induced myocardial injury by downregulating ferroptosis.

Objective: To investigate the mechanism of Ling-Gui-Zhu-Gan decoction (LGZGD) protects against doxorubicin (DOX)-induced myocardial injury.

Methods: In vivo experiment, rats were divided into six groups: normal group, model group (15 mg/kg, DOX), Dex group(150 mg/kg, Dex), LGZGD-L group (2.1 g/kg), LGZGD-M group (4.

Punicalagin attenuates ventricular remodeling after acute myocardial infarction via regulating the NLRP3/caspase-1 pathway.

Context: Punicalagin has myocardial protection; the mechanism of punicalagin on ventricular remodeling (VR) after acute myocardial infarction (AMI) remains unclear.

Objective: These studies explore the role and mechanism of punicalagin in preventing and treating VR after AMI.

Materials And Methods: Molecular docking was used to predict the targets of punicalagin.

Beneficial effects of flavonoids on cardiovascular diseases by influencing NLRP3 inflammasome.

Cardiovascular diseases (CVDs) are a leading cause of global mortality and have a high incidence rate worldwide. The function of inflammasomes in CVDs has received a lot of attention recently, and the nucleotide-binding domain and leucine-rich repeat protein 3 (NLRP3) inflammasome may be a new target for the prevention and treatment of CVDs. Flavonoids, which are found in food and plant extracts, inhibited inflammation in CVDs by regulating the NLRP3 inflammasome.

Sc@B, Ti@B, V@B, and V@B: Spherically Aromatic Endohedral Seashell-like Metallo-Borospherenes.

Transition-metal-doped boron nanoclusters exhibit unique structures and bonding in chemistry. Using the experimentally observed seashell-like borospherenes B and B as ligands and based on extensive first-principles theory calculations, we predict herein a series of novel transition-metal-centered endohedral seashell-like metallo-borospherenes Sc@B (), Ti@B (), V@B (), and V@B () which, as the global minima of the complex systems, turn out to be the boron analogues of dibenzenechromium Cr(CH) with two B ligands on the top and bottom interconnected by four or five corner boron atoms on the waist and one transition-metal "pearl" sandwiched at the center in between. Detailed molecular orbital, adaptive natural density partitioning (AdNDP), and iso-chemical shielding surface (ICSS) analyses indicate that, similar to Cr(CH), these endohedral seashell-like complexes follow the 18-electron rule in bonding patterns (1S1P1D), rendering spherical aromaticity and extra stability to the systems.

Phytochemicals as potential target on thioredoxin-interacting protein (TXNIP) for the treatment of cardiovascular diseases.

Cardiovascular diseases (CVDs) are currently the major cause of death and morbidity on a global scale. Thioredoxin-interacting protein (TXNIP) is a marker related to metabolism, oxidation, and inflammation induced in CVDs. The overexpression of TXNIP is closely related to the occurrence and development of CVDs.

Lanthanide/actinide boride nanoclusters and nanomaterials based on boron frameworks consisting of conjoined B rings ( = 7-9).

Extensive global minimum searches augmented with first-principles theory calculations performed in this work indicate that the experimentally observed perfect inverse sandwich lanthanide boride complexes LaB (1), LaB (3), LaB (7) can be extended to their actinide counterparts AcB (1'), AcB (3'), AcB (7') with a B monocyclic ring ( = 7-9) sandwiched by two Ac dopants. Such MB inverse sandwiches (1/1', 3/3', 7/7') can be used as building blocks to generate the ground-state LaB (2)/AcB (2'), LaB (4)/AcB (4'), / LaB (5)/AcB (5'), AcB (6'), AcB, AcB (8'), LaB (9)/AcB (9'), and AcB (10') which are based on boron frameworks consisting of multiple conjoined B rings ( = 7-9). Detailed bonding analyses show that effective (d-p)σ, (d-p)π and (d-p)δ coordination bonds are formed between the B rings and metal doping centers, conferring three-dimensional aromaticity and extra stability to the systems.

Virtual screening analysis of natural flavonoids as trimethylamine (TMA)-lyase inhibitors for coronary heart disease.

Coronary heart disease (CHD) is defined by atherosclerosis, which can result in stenosis or blockage of the arterial cavity, leading to ischemic cardiac diseases such as angina and myocardial infarction. Accumulating evidence indicates that the gut microbiota plays a vital role in the beginning and progression of CHD. The gut microbial metabolite, trimethylamine-N-oxide (TMAO), is intimately linked to the pathophysiology of CHD.

Exploring the Mechanism of Ling-Gui-Zhu-Gan Decoction in Ventricular Remodeling after Acute Myocardial Infarction Based on UPLC and Experiments.

Ventricular remodeling (VR) after acute myocardial infarction (AMI) is an important pathophysiological basis for the development of chronic heart failure (CHF). At present, Ling-Gui-Zhu-Gan decoction (LGZGD) has been widely reported in the clinical treatment and basic research of cardiovascular diseases (CVDs), such as myocardial infarction, heart failure, and angina pectoris. However, the mechanism of LGZGD against VR after AMI remains unclear.

Ultrasonic Characteristics of Cardiovascular Changes in Children with Hutchinson-Gilford Progeria Syndrome: A Comparative Study with Normal Children and Aging People.

Background: The cardiovascular characteristics of children with Hutchinson-Gilford progeria syndrome (HGPS) remain unclear. The present study is aimed at evaluating the cardiovascular changes with ultrasound examination in children with HGPS and compared these with those in normal children and older people.

Methods: Seven HGPS children, 21 age-matched healthy children, and 14 older healthy volunteers were evaluated by three-dimensional echocardiography (including strain analysis) and carotid elasticity examination with the echo-tracking technique.