A New Comprehensive Platform for Profile-Mode-Based Untargeted Metabolomics for Efficient Data Mining to Improve Compound Extraction and Identification.

The profile mode of ultra-high-performance liquid chromatography-high-resolution mass spectrometry (UHPLC-HRMS) is commonly utilized in metabolomics for its ability to comprehensively retain compound information in mass spectra. However, current data-analysis methods have not been optimized for the entire profile-mode-based untargeted metabolomics. To address this issue, we developed a set of novel algorithms, including centroiding transformation, extracted ion chromatogram construction, and feature extraction.

Surface Engineering of Perovskite Oxide LaCoCuO for Improved Overall Water Splitting Activity.

Perovskite oxides continue demonstrating suboptimal electrocatalytic performance for the oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) due to their inherently low activity, inadequate electronic conductivity, and restricted availability of active sites. Defect engineering has attracted significant attention as a promising approach to enhancing reaction kinetics. In this study, a LaCoCuO (LCCO) composite perovskite electrocatalyst was synthesized using a sol-gel method followed by acid etching for defect engineering (LCCO-, where = 6, 12, 24, and 30, indicating the treatment time in hours).

[Mechanism of 2,6-DMBQ attenuates airway inflammatory responses in asthmatic mice via the mTOR signaling pathway].

Objectives: To investigate the therapeutic effects and mechanisms of 2,6-dimethoxy-1,4-benzoquinone (2,6-DMBQ) in a mouse model of asthma.

Methods: SPF-grade BALB/c mice were randomly divided into 7 groups (=8 each group): normal control group, ovalbumin (OVA) group, dimethyl sulfoxide+corn oil group, budesonide (BUD) group, and low, medium, and high dose 2,6-DMBQ groups. An asthma mouse model was established by OVA induction, followed by corresponding drug interventions.

Design of a Distal Site Saturation Test-Iterative Parallel Mutagenesis for Engineering Hydroxysteroid Dehydrogenase.

Distal protein engineering facilitates the efficient identification of novel modification sites and synergistic modulation of enzyme functions to meet the demands of biocatalysts for industrial applications. Using hydroxysteroid dehydrogenase as a target protein, this study presents a distal site saturation test-iterative parallel mutagenesis (DSST-IPM) strategy to design high-performance enzymes. Twelve single-point mutations were identified to improve the stability-activity trade-off in the distal site, targeting 34 residues.

Monitoring Role of Non-invasive Examinations on the Clinical Efficacy of Photodynamic Therapy for Oral Potentially Malignant Disorders.

Objective: To assess the clinical efficacy of 5-aminolaevulinic acid photodynamic therapy (5-ALA-PDT) in treating oral potentially malignant disorders (OPMDs) and investigate the utility of toluidine blue staining and autofluorescence examination for monitoring the efficacy of 5-ALA-PDT.

Methods: A prospective cohort study was conducted, including 75 OPMDs patients who underwent 5-ALA-PDT and follow-up observation. The patients' lesion size and clinical presentation were recorded to evaluate the clinical efficacy of 5-ALA-PDT.

Improving compound identification results by automatically recognizing in-source fragment ions in HRMS with AntDAS: A study on accurate pesticide screening in complex food samples.

Ultrahigh-performance liquid chromatography combined with high-resolution mass spectrometry has been extensively used for compound identification in an untargeted manner. However, current methods still cannot accurately screen and identify compounds in the presence of in-source fragment ions. Here, we proposed an in-source fragment ion-based strategy to precisely recognize compounds.

Cationic Modification in Hybrid Iodates: A Pathway to Superior Performance.

The utilization of nonlinear optical (NLO) crystals plays a crucial role in the contemporary laser industry, and the advancement of novel NLO-active units is essential for the exploration of NLO materials. Two novel organic-inorganic hybrid iodates, designated as (CNH)MoO(IO)·3HO () and (CNIH)MoO(IO)·4HO () were synthesized via mild hydrothermal methods, exhibiting band gaps of 3.75 and 3.

Engineering of a hydroxysteroid dehydrogenase with simultaneous enhancement in activity and thermostability for efficient biosynthesis of ursodeoxycholic acid.

Unlabelled: Hydroxysteroid dehydrogenases (HSDHs) catalyze the oxidation/reduction of hydroxyl/keto groups of steroids with high regio- or stereoselectivity, playing an essential role in producing optically pure chemicals. In this work, a novel approach was developed to simultaneously improve the stability and activity of 7β-hydroxysteroid dehydrogenase (7β-HSDH) by combining B-factor analysis and computer-aided prediction. Several advantageous mutants were identified, and the most promising variant, S51Y/P202Y, exhibited 2.

Development of quercetin-loaded electrospun nanofibers through shellac coating on gelatin: Characterization, colon-targeted delivery, and anticancer activity.

Quercetin possesses multiple biological activities. To achieve efficient colon-specific release of quercetin, new composite nanofibers were developed by coating pH-responsive shellac on hydrophilic gelatin through coaxial electrospinning. These composite nanofibers contained bead-like structures.

Efferocytosis: Unveiling its potential in autoimmune disease and treatment strategies.

Efferocytosis is a crucial process whereby phagocytes engulf and eliminate apoptotic cells (ACs). This intricate process can be categorized into four steps: (1) ACs release "find me" signals to attract phagocytes, (2) phagocytosis is directed by "eat me" signals emitted by ACs, (3) phagocytes engulf and internalize ACs, and (4) degradation of ACs occurs. Maintaining immune homeostasis heavily relies on the efficient clearance of ACs, which eliminates self-antigens and facilitates the generation of anti-inflammatory and immunosuppressive signals that maintain immune tolerance.

Advances in aldo-keto reductases immobilization for biocatalytic synthesis of chiral alcohols.

Chiral alcohols are essential building blocks of numerous pharmaceuticals and fine chemicals. Aldo-keto reductases (AKRs) constitute a superfamily of oxidoreductases that catalyze the reduction of aldehydes and ketones to their corresponding alcohols using NAD(P)H as a coenzyme. Knowledge about the crucial roles of AKRs immobilization in the biocatalytic synthesis of chiral alcohols is expanding.

(CHNO)(HSO): A Cytosinium Bisulfate with Large Birefringence and Moderate Second Harmonic Generation Effect Produced via Combining a Promising Planar Nonlinear Optical-Active Motif with a Tetrahedral Group.

Investigating novel nonlinear optical (NLO) active units serves as a valuable method for broadening the research landscape of NLO materials. This study showcases the potential of the cytosinium cation (CHNO) as a novel NLO-active motif through theoretical calculations. The title compound exhibited a wide band gap of 3.

AntDAS-GCMS: A New Comprehensive Data Analysis Platform for GC-MS-Based Untargeted Metabolomics with the Advantage of Addressing the Time Shift Problem.

Over the years, a number of state-of-the-art data analysis tools have been developed to provide a comprehensive analysis of data collected from gas chromatography-mass spectrometry (GC-MS). Unfortunately, the time shift problem remains unsolved in these tools. Here, we developed a novel comprehensive data analysis strategy for GC-MS-based untargeted metabolomics (AntDAS-GCMS) to perform total ion chromatogram peak detection, peak resolution, time shift correction, component registration, statistical analysis, and compound identification.

Bispectral Index Monitoring in the Nursing of Patients With Paroxysmal Sympathetic Hyperactivity.

Aim: To investigate the clinical nursing effect of bispectral index (BIS) monitoring for paroxysmal sympathetic hyperactivity (PSH) patients in the neurosurgical intensive care unit (NICU).

Methods: From January 2022 to June 2023, a total of 30 patients with PSH secondary to moderate to severe craniocerebral injury in the NICU were monitored for BIS. The patients' paroxysmal sympathetic hyperactivity-assessment measure (PSH-AM) scores were recorded.

Fabrication and characterization of shellac nanofibers with colon-targeted delivery of quercetin and its anticancer activity.

In this study, the feasibility of shellac nanofibers as carrier system for colonic delivery of quercetin was evaluated. Firstly, the nanofibers without and with different amounts (2.5 %, 5.

[C(NH)][B(COH)]: An Organic-Inorganic Hybrid Borate Containing Nonlinear-Optical Active Unit [B(COH)] with Solar-Blind-Region Optical Nonlinearity.

We herein report an unprecedented organic-inorganic hybrid borate incorporating a novel nonlinear-optical (NLO) active unit, namely, [C(NH)][B(COH)]. The novel NLO active unit was derived from the condensation reaction between two glycol molecules and one (BO) group. The title compound exhibits a moderate second-harmonic-generation effect (0.

[C(NH)]MoO: A Guanidinium Molybdate as a UV Nonlinear Optical Crystal with Large Birefringence.

The key to searching novel nonlinear optical (NLO) crystals was effectively combining the NLO-active units to obtain a noncentrosymmetric structure. Nevertheless, the present predicament lies in the growing challenge of discovering novel crystals within conventional inorganic frameworks that surpass the properties of the current NLO materials. In view of this, researchers expanded their research focus to the organic-inorganic hybridization system; it is foreseeable to concentrate the advantages from several kinds of NLO-active units to acquire novel NLO crystals with superior properties.

Fabrication of colon-targeted ethyl cellulose/gelatin hybrid nanofibers: Regulation of quercetin release and its anticancer activity.

A colon-targeted delivery system that can efficiently deliver and release quercetin is essential to improve its bioavailability. We previously found that hydrophobic ethyl cellulose (EC) nanofibers could efficiently deliver quercetin to colon, but the release of quercetin was limited. To address this problem, hydrophilic gelatin (GN) was used as a regulator, and quercetin-loaded nanofibers with different mass ratios of EC to GN (3:1, 1:1, 1:2, 1:3) were fabricated by electrospinning.

Encapsulation of quercetin into zein-ethyl cellulose coaxial nanofibers: Preparation, characterization and its anticancer activity.

In order to efficiently improve the colon-targeted delivery of quercetin, the hydrophobic core-shell nanofibers were fabricated to encapsulate quercetin using ethyl cellulose as the shell and zein as the core by coaxial electrospinning. The encapsulation efficiency of coaxial nanofibers reached >97 %. FTIR and XRD results revealed the interactions between quercetin and wall materials and quercetin was encapsulated in an amorphous state.

Regulating the Electronic Structure of Ruddlesden-Popper-Type Perovskite by Chlorine Doping for Enhanced Oxygen Evolution Activity.

Developing economical, efficient, and durable oxygen evolution catalysts is crucial for achieving sustainable energy conversion and storage. Ruddlesden-Popper-type perovskite oxides are at the forefront of oxygen evolution reaction (OER) research. However, their activity and stability are far from satisfactory.

Cationic Defect Engineering in Perovskite LaCoMnO for Enhanced Electrocatalytic Oxygen Evolution.

The urgent need to promote the development of sustainable energy conversion requires exploration of highly efficient oxygen evolution reaction (OER) electrocatalysts. Defect engineering is a promising approach to address the inherent low electrical conductivity of metal oxides and limited reaction sites, for use in clean air applications and as electrochemical energy-storage electrocatalysts. In this article, oxygen defects are introduced into LaCoMnO perovskite oxides through the A-site cation defect strategy.