CO Cleavage Reaction Driven by Alkylidyne Complexes of Group 6 Metals and Uranium: A Density Functional Theory Study on Energetics, Reaction Mechanism, and Structural/Bonding Properties.

Designing novel catalysts is essential for the efficient conversion of metal alkylidyne into metal oxo ketene complexes in the presence of CO, which to some extent resolves the environmental concerns of the ever-increasing carbon emission. In this regard, a series of metal alkylidyne complexes, []M≡CCH(THF) ([] = {(CH[C(CF)O])N}; M = Cr, Mo, W, and U), have been comprehensively studied by relativistic density functional theory calculations. The calculated thermodynamics and kinetics unravel that the tungsten complex is capable of catalyzing the CO cleavage reaction, agreeing with the experimental findings for its analogue.

Relativistic DFT Probe for Reaction Energies and Electronic/Bonding Properties of Polypyrrolic Hetero-Bimetallic Actinide Complexes: Effects of Uranyl -Oxo Functionalization.

A series of hetero-bimetallic actinide complexes of the Schiff-base polypyrrolic macrocycle (L), featuring cation-cation interactions (CCIs), were systematically investigated using relativistic density functional theory (DFT). The tetrahydrofuran (THF) solvated complex [(THF)(OUOU)(THF)(L)] has high reaction free energy (Δ), and its replacement with electron-donating iodine promotes the reaction thermodynamics to obtain uranyl iodide [(I)(OUOU)(I)(L)] (-). Retaining this coordination geometry, calculations have been extended to other An(IV) (An = Th, Pa, Np, Pu), i.

Main-Group Metals Stabilized Polypyrrolic Uranyl(V) Complexes via Cation-Cation Interaction with the Uranyl -Oxo Atom: A Relativistic Density Functional Theory Study.

To explore the innovative uranyl(V) complexes by deeply understanding their coordination stability, relativistic density functional theory calculations have been performed to investigate the experimentally reported [(py)(RAlOUO)(py)(HL)] [R = Me (), Bu ()] and [{(py)MOUO}(py)(HL)] [M = Li (), Na (), K ()] and their uranyl(VI) counterparts. Structural and topological analyses along with transformation-reaction energies and redox potentials were systematically studied. Geometrical and quantum theory of atoms in molecules analyses implied a linear U-O-M feature in - and a bent one in and .

lncRNA TUG1 modulates proliferation, apoptosis, invasion, and angiogenesis via targeting miR-29b in trophoblast cells.

Background: Pre-eclampsia (PE) is regarded as the leading cause of maternal and neonatal morbidity and mortality. Nevertheless, the potential mechanism for the regulation of trophoblast behaviors and the pathogenesis of PE remain largely elusive. Recently, accumulating evidence emphasized that aberrant expression of long non-coding RNAs (lncRNAs) functions as imperative regulators in human diseases, including PE.

Influence of fetal Leydig cells on the development of adult Leydig cell population in rats.

Leydig cells are the main endogenous testosterone synthesis cells in the body. Testosterone is an essential hormone in males that affects metabolism, emotion, and pubertal development. However, little is known about the development of Leydig cells and relationship between fetal Leydig cells (FLCs) and adult Leydig cells (ALCs).

[Effects of Sialidase Inhibitor on Proliferation and Apoptosis of Endometrial Cancer Cells].

Objectives: To explore the effects of sialidase inhibitor on the proliferation and apoptosis of endometrial cancer Ishikawa cells.

Methods: Ishikawa cells were cultured and divided into 2 groups: control group and sialidase inhibitor N-Acetyl-2, 3-dehydro-2-deoxyneuraminic acid (DANA) treated group. After the sialidase activity was compared between the two groups, the expression level of matrix metalloproteinases (MMPs), proliferating cell nuclear antigen (PCNA), apoptosis rate and proliferation ability were detected by immunofluorescence staining, flow cytometry or MTT assay.

A relativistic DFT probe of polypyrrolic macrocyclic diuranium(III) complexes with terminal solvents and iodines.

Relativistic density functional theory finds that two isomers of a diuranium(III) complex of a polypyrrolic macrocycle (H4L) feature active sites on uranium moieties, allowing for their potential application in activating industrially and economically important small molecules. To address this, a series of adducts [(X)nU2(L)]((2-m)+) (X = THF, I(-) and HI; n = 1 and 2; m = 0, 1 and 2) have been examined. The coordination from X to the exposed uranium(s) changes the general geometry and electronic structure slightly.

[Treatment of nonalcoholic steatohepatitis by Jianpi Shugan Recipe: a multi-center, randomized, controlled clinical trial].

Objective: To evaluate the efficacy and safety of Chinese medicine (CM) intervention in the treatment of nonalcoholic steatohepatitis (NASH) from liver enzyme (ALT), imaging (the liver/spleen CT ratio) and syndrome scores, and to establish standard methods for diagnosis and therapeutic efficacy evaluation with characteristics of CM.

Methods: A multi-center, stratified randomized, parallel controlled, blindness-method evaluated, superiority trial was performed. Totally 204 patients were randomly allocated into two groups, 102 patients in the experimental group (treated with CM) and 102 patients in the control group [treated with Western medicine (WM)].

[Effects of carbon disulfide on cardiovascular system of workers occupationally exposed to carbon disulfide].

Objective: To study the effects of long-term exposure to carbon disulfide (SC(2)) on cardiovascular system of workers.

Methods: The concentrations of CS(2) were detected in the representative workshops with different exposure levels. The indicators related to cardiovascular system were tested in 633 workers occupationally exposed to CS(2), which included blood pressure, electrocardiogram, blood routine (blood RT), cholesterol (TCHO), triglyceride (TG) and so on.

Identification of a novel mutation in a pseudohypoparathyroidism family.

Pseudohypoparathyroidism type Ia (PHP Ia) is defined as a series of disorders characterized by multihormone resistance in end-organs and Albright hereditary osteodystrophy (AHO) phenotype. PHP Ia is caused by heterozygous inactivating mutations in GNAS, which encodes the stimulatory G-protein alpha subunit (Gsa). A patient with typical clinical manifestations of pseudohypoparathyroidism (PHP) (round face, short stature, centripetal obesity, brachydactyly, and multi-hormone resistance: parathyroid hormone (PTH), thyroid-stimulating hormone (TSH), and gonadotropins) presented at our center.

[Relationship between job burnout and quality of life of factory staff].

Objective: To investigate the status of job burnout and the quality of life of factory staff and analyze the their relationship.

Methods: Questionnaires were administered to investigate the status of job burnout and quality of life of all the staff in three randomly selected state factories, and then the methods of canonical correlation and hierarchical linear regression analysis were used to analyze the relationship between job burnout and quality of life.

Results: Job burnout and quality of life were somewhat different among staff in factories of different demography character.