Integrated untargeted and targeted metabolomics to reveal the mechanisms of herbal medicine HLXLD on Alzheimer's disease.

Huo-Luo-Xiao-Ling-Dan (HLXLD), a Chinese herbal medicine consisting of 11 herbs, has been shown to be effective in alleviating cognitive and memory impairment in Alzheimer's disease (AD). However, the underlying mechanisms require further investigation. This study aimed to clarify potential therapeutic mechanisms of HLXLD in the treatment of AD from a metabolic perspective.

Developing Dynamic Ion Transport Channels in Polymer Solid Electrolytes for High-Performance Lithium Metal Batteries.

Solid polymer electrolytes (SPEs) are promising for next-generation solid-state lithium metal batteries owing to their electrochemical stability and high safety. However, limited ionic conductivity and poor interfacial stability have hindered their practical applications. To address these challenges, we propose a novel approach by incorporating trace amounts of sulfone (SL) into polyacrylic-based SPEs, purposely creating ".

Structural Dynamic Impact of Chromophores on Singlet Fission.

Singlet fission (SF) represents a unique mechanism that allows a single high-energy photon to split into two triplet excitons, significantly enhancing the quantum efficiency of photovoltaic and optoelectronic materials. Therefore, SF shows great potential for applications in solar cells and optoelectronic devices. Despite significant progress in recent years, synergistic effects of various factors that govern the structural dynamics of solvated chromophores individually or jointly and lead to the complicated dynamics of SF still require further exploration.

Under-strain Synergistic Oscillatory Twisting Manipulates the Bifunction in Rubrene Crystal.

Photophysical properties of condensed systems generally originate from collective contributions of all components in their stochastically fluctuated structures and are strongly influenced under strain of chromophores. To precisely identify how the stochastically fluctuated monomers synergistically manipulate the properties, we propose a statistic strategy over sufficient ab initio molecular dynamics (AIMD) samplings and for the first time uncover that synergistic oscillatory twisting (SOT) of neighboring under-strain monomers manipulates the bifunction of rubrene crystal. The under-strain trunk SOT can regulate both singlet fission (SF) and triplet-triplet annihilation (TTA), enabling their coexistence and dominance switching by dynamically modulating the matching of excitation energies.

Combining untargeted and targeted metabolomics to reveal the mechanisms of herb pair Anemarrhena asphodeloides Bunge and Phellodendron chinense C. K. Schneid on benign prostatic hyperplasia.

Ethnopharmacological Relevance: Anemarrhena asphodeloides Bunge (Ane) and Phellodendron chinense C. K. Schneid (Phe) is classical herb pair in traditional Chinese medicine, commonly used to ameliorate the symptoms of Benign Prostatic Hyperplasia (BPH).

The regulation of GSH/GPX4-mediated lipid accumulation confirms that schisandra polysaccharides should be valued equally as lignans.

Ethnopharmacological Relevance: Acetaminophen (APAP) induced liver injury (AILI) is a common cause of clinical hepatic damage and even acute liver failure. Our previous research has shown that Schisandra chinensis lignan extract (SLE) can exert a hepatoprotective effect by regulating lipid metabolism. Although polysaccharides from Schisandra chinensis (S.

Integrated network pharmacology and serum metabonomics analysis to explore the potential mechanism of Anemarrhena asphodeloides Bunge-Phellodendron chinense Schneid herb pair in the treatment of benign prostatic hyperplasia.

Anemarrhena asphodeloides Bunge-Phellodendron chinense Schneid (AAPC) is one of the most widely accepted herb pairs in Chinese medicine prescription for treating benign prostatic hyperplasia (BPH). However, the mechanisms underlying the combination of the two herbs for anti-BPH are still not completely clear. To uncover the potential mechanism of the AAPC herb pair in the treatment of BPH, chemical profiling, network pharmacology, serum metabonomics and experimental validation were integrated.

Optical image conversion and encryption based on structured light illumination and a diffractive neural network.

In this paper, an optical image encryption method is proposed based on structured light illumination and a diffractive neural network (DNN), which can realize conversion between different images. With the use of the structured phase mask (SPM) in the iterative phase retrieval algorithm, a plaintext image is encoded into a DNN composed of multiple phase-only masks (POMs) and ciphertext. It is worth noting that ciphertext is a visible image such that the conversion of one image to another is achieved, leading to high concealment of the proposed optical image encryption method.

lignans ameliorate nonalcoholic steatohepatitis by regulating aberrant metabolism of phosphatidylethanolamines.

Nonalcoholic steatohepatitis (NASH) is a spectrum of chronic liver disease characterized by hepatic lipid metabolism disorder. Recent reports emphasized the contribution of triglyceride and diglyceride accumulation to NASH, while the other lipids associated with the NASH pathogenesis remained unexplored. The specific purpose of our study was to explore a novel pathogenesis and treatment strategy of NASH profiling the metabolic characteristics of lipids.

Clinical characteristics of bloodstream infections in adult patients with solid tumours and a nomogram for mortality prediction: a 5-year case-controlled retrospective study in a tertiary-level hospital.

Background: Bloodstream infections (BSIs) are one of the leading causes of death in cancer patients. Nevertheless, the risk factors of BSIs in solid tumors have rarely been ascertained adequately.

Methods: We conducted a single-center case-controlled retrospective study from 2017 to 2021 among adults with solid tumors in a tertiary-level hospital.

Multifunctional Roles of Clathrate Hydrate Nanoreactors for CO Reduction.

In this study, we explore a possible platform for the CO reduction (CO R) in one of water's solid phases, namely clathrate hydrates (CHs), by ab initio molecular dynamics and well-tempered metadynamics simulations with periodic boundary conditions. We found that the stacked H O nanocages in CHs help to initialize CO R by increasing the electron-binding ability of CO . The substantial CO R processes are further influenced by the hydrogen bond networks in CHs.

Symmetry-Breaking Manipulated Channel Ergodicity in Intramolecular Singlet Fission Uncovered Statistically by Molecular Dynamics Samplings.

Persistent structure dynamics of chromophores in a solvent has a pivotal influence on singlet fission (SF) phenomena through breaking structure symmetry and tuning electronic properties. However, clarifying how the dynamic factors manipulate the SF dynamics faces major challenges. Here, we for the first time propose a dynamic symmetry-breaking strategy for manipulating intramolecular SF and unveil channel-ergodic characters by constructing transient configuration space of an individual solvated monomer in a chromophore-in-solvent ensemble by sampling its dynamics trajectory.

Hydrated electrons as nodes in porous clathrate hydrates.

We investigate the structures of hydrated electrons (e ) in one of water's solid phases, namely, clathrate hydrates (CHs). Using density functional theory (DFT) calculations, DFT-based ab initio molecular dynamics (AIMD), and path-integral AIMD simulations with periodic boundary conditions, we find that the structure of the e @node model is in good agreement with the experiment, suggesting that an e could form a node in CHs. The node is a HO defect in CHs that is supposed to be composed of four unsaturated hydrogen bonds.

Retraction: A solid ultrasonic coupling membrane for superficial vascular ultrasonography.

Retraction of 'A solid ultrasonic coupling membrane for superficial vascular ultrasonography' by Di Sun , , 2022, , 3545-3553, https://doi.org/10.1039/D1NR05353A.

A solid ultrasonic coupling membrane for superficial vascular ultrasonography.

Superficial thrombophlebitis is one of the most significant complications of superficial vein thrombosis. Rapid imaging and mapping with high resolution is particularly important for accurate diagnosis so as to carry out treatment as soon as possible. Ultrasound imaging technology has been used extensively because of the low-cost, minimal invasiveness, and convenient application in clinical practice.

Differences in susceptibility of HT-29 and A549 cells to statin-induced toxicity: An investigation using high content screening.

Statins are a group of hydroxymethylglutaryl coenzyme A reductase inhibitors that are used in the treatment of cardiovascular diseases. However, statins have been found to be cytotoxic, and many unexpected side effects have been reported in clinical applications. The susceptibilities of different cell lines toward statins are diverse, and the mechanisms of cytotoxicity remain unknown.

Design, synthesis and biological evaluation of indanone-chalcone hybrids as potent and selective hCES2A inhibitors.

Human carboxylesterase 2 (hCES2A), one of the major serine hydrolases distributed in the small intestine, plays a crucial role in hydrolysis of ester-bearing drugs. Accumulating evidence has indicated that hCES2A inhibitor therapy can modulate the pharmacokinetic and toxicological profiles of some important hCES2A-substrate drugs, such as the anticancer agent CPT-11. Herein, a series of indanone-chalcone hybrids are designed and synthesized to find potent and highly selective hCES2A inhibitors.

General Dual-Switched Dynamic Singlet Fission Channels in Solvents Governed Jointly by Chromophore Structural Dynamics and Solvent Impact: Singlet Prefission Energetics Analyses.

The singlet fission (SF) channels in many systems are controlled by the thermodynamic driving force (Switch-1) and kinetic barrier (Switch-2), both of which could be modulated by chromophore structure dynamics and solvent properties. Using molecular dynamics (AIMD), we here simulate how the structural dynamics and solvent jointly govern singlet prefission energetics, taking a covalent BODIPY dimer (di-BODIPY) in solvents as an example. We report a general dual-switched dynamic channel for intramolecular SF in solvents and suggest an effective AIMD sampling method to characterize the joint effect of chromophore structure dynamics and the solvent impact on SFs.

Construction and application of a high-content analysis for identifying human carboxylesterase 2 inhibitors in living cell system.

Human carboxylesterase 2 (hCE2), one of the most principal drug-metabolizing enzymes, catalyzes the hydrolysis of a variety of endogenous esters, anticancer agents, and environmental toxicants. The significant roles of hCE2 in both endobiotic and xenobiotic metabolism sparked great interest in the discovery and development of efficacious and selective inhibitors. However, the safe and effective inhibitors of hCE2 are scarce, due to the lack of efficient screening and evaluation systems for complex biological systems.

Influence of the Length of the Donor-Acceptor Bridge on Thermally Activated Delayed Fluorescence.

Small singlet-triplet energy splitting is a dominant condition for efficient thermally activated delayed fluorescence (TADF), which could be obtained by increasing the length of the connecting bridge between the donor (D) and the acceptor (A) units in molecules. However, the long connecting bridge could also give rise to a small radiative decay rate, which is harmful for the overall luminescent efficiency of TADF. Herein, we calculate the singlet-triplet energy splitting and the radiative decay rate and discuss the bridge length effect on the TADF efficiency.

Vaginal delivery outcomes of pregnancies following ultrasound-guided high-intensity focused ultrasound ablation treatment for uterine fibroids.

Objective: To evaluate the feasibility and safety of vaginal delivery after ultrasound-guided high-intensity focused ultrasound (HIFU) ablation treatment for women with uterine fibroids of child-bearing ages.

Methods: A prospective study was conducted on women who underwent ultrasound-guided HIFU therapy for uterine fibroids at the Chinese PLA General Hospital from January 2008 to December 2014. Patients were interviewed yearly to assess their fertility outcomes, including conception method, delivery mode, neonatal outcomes and complications during pregnancy, labor, and delivery.

Kidney injury molecule-1 expression is closely associated with renal allograft damage.

The aim of our study was to investigate the expression of kidney injury molecule-1 (KIM-1) in renal allograft biopsy samples and assess the clinical significance of its use as a biomarker for tissue damage. A total of 69 renal allograft biopsy samples from 17 patients with normal serum creatinine and 52 cases of increased serum creatinine were collected. They were divided into different groups according to the Banff 2007 diagnostic criteria.

Chronic humoral rejection of human kidney allografts associates with broad autoantibody responses.

Background: Chronic humoral rejection (CHR) is a major complication after kidney transplantation. The cause of CHR is currently unknown. Autoantibodies have often been reported in kidney transplant recipients alongside antidonor human leukocyte antigen antibodies.

[The effect of newcastle disease virus on the biological behavior of tumor cells].

Aim: To investigate the anti-tumor effect of newcastle disease virus (NDV).

Methods: Plaque formation test was used to investigate the effect of NDV on chicken embryofibroblasts(CEF). Cell suppression test, agarose gel electrophoresis, cytoskeleton staining, fluorescence staining, TUNEL staining, and sialic acid content determination were used to observe the influence of NDV on several human tumor cells.