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1.
Diagn Microbiol Infect Dis ; 110(1): 116394, 2024 Jun 04.
Article En | MEDLINE | ID: mdl-38850689

Neisseria gonorrhoeae (NG), Chlamydia trachomatis (CT), Ureaplasma urealyticum (UU) are the common sexually transmitted pathogens and lead to genital diseases, highly prevalent all around the world. The objective of this study was to analyze the prevalence of NG, CT and UU among outpatients in central China. A total of 2186 urogenital swabs were collected from the patients and the NG, CT and UU pathogens were testing with RT-PCR method, meanwhile the medical records were obtained from the hospital information system. The overall infection rates of NG, CT and UU were 4.57 %, 6.63 % and 48.81 % respectively, showed the prevalence of UU was higher than NG and CT. The younger people had the highest infection rate of NG (10.81 %), CT (20.54 %) and UU (54.59 %). Single infection (89.09 %) was significant higher than co-infection (10.91 %), and the CT-UU co-infection was the prominent pattern (66.41 %). There were an obvious sex difference, the prevalence of NG and CT were significant higher in male, whereas UU was higher in female. Our study could contributed a better understanding of the prevalence of NG, CT and UU, facilitating to the development of effective screening, prevention and treatment policies.

2.
Sci Rep ; 14(1): 11585, 2024 05 21.
Article En | MEDLINE | ID: mdl-38773195

High-altitude cerebral edema (HACE) is a severe neurological condition that can occur at high altitudes. It is characterized by the accumulation of fluid in the brain, leading to a range of symptoms, including severe headache, confusion, loss of coordination, and even coma and death. Exosomes play a crucial role in intercellular communication, and their contents have been found to change in various diseases. This study analyzed the metabolomic characteristics of blood exosomes from HACE patients compared to those from healthy controls (HCs) with the aim of identifying specific metabolites or metabolic pathways associated with the development of HACE conditions. A total of 21 HACE patients and 21 healthy controls were recruited for this study. Comprehensive metabolomic profiling of the serum exosome samples was conducted using ultraperformance liquid chromatography-tandem mass spectrometry (UPLC‒MS/MS). Additionally, Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis was performed to identify the metabolic pathways affected in HACE patients. Twenty-six metabolites, including ( +)-camphoric acid, choline, adenosine, adenosine 5'-monophosphate, deoxyguanosine 5'-monophosphate, guanosine, and hypoxanthine-9-ß-D-arabinofuranoside, among others, exhibited significant changes in expression in HACE patients compared to HCs. Additionally, these differentially abundant metabolites were confirmed to be potential biomarkers for HACE. KEGG pathway enrichment analysis revealed several pathways that significantly affect energy metabolism regulation (such as purine metabolism, thermogenesis, and nucleotide metabolism), estrogen-related pathways (the estrogen signaling pathway, GnRH signaling pathway, and GnRH pathway), cyclic nucleotide signaling pathways (the cGMP-PKG signaling pathway and cAMP signaling pathway), and hormone synthesis and secretion pathways (renin secretion, parathyroid hormone synthesis, secretion and action, and aldosterone synthesis and secretion). In patients with HACE, adenosine, guanosine, and hypoxanthine-9-ß-D-arabinofuranoside were negatively correlated with height. Deoxyguanosine 5'-monophosphate is negatively correlated with weight and BMI. Additionally, LPE (18:2/0:0) and pregnanetriol were positively correlated with age. This study identified potential biomarkers for HACE and provided valuable insights into the underlying metabolic mechanisms of this disease. These findings may lead to potential targets for early diagnosis and therapeutic intervention in HACE patients.


Biomarkers , Brain Edema , Exosomes , Metabolomics , Humans , Male , Female , Adult , Metabolomics/methods , Brain Edema/blood , Brain Edema/metabolism , Brain Edema/etiology , Biomarkers/blood , Exosomes/metabolism , Tandem Mass Spectrometry , Altitude Sickness/blood , Altitude Sickness/metabolism , Middle Aged , Metabolic Networks and Pathways , Metabolome , Case-Control Studies , Altitude
3.
ACS Appl Bio Mater ; 7(5): 3202-3214, 2024 05 20.
Article En | MEDLINE | ID: mdl-38651918

The combination of small-interfering RNA (siRNA)-mediated gene silencing and chemotherapeutic agents for lung cancer treatment has attracted widespread attention in terms of a greater therapeutic effect, minimization of systemic toxicity, and inhibition of multiple drug resistance (MDR). In this work, three amphiphiles, CBN1-CBN3, were first designed and synthesized as a camptothecin (CPT) conjugate and gene condensation agents by the combination of CPT prodrugs and di(triazole-[12]aneN3) through the ROS-responsive phenylborate ester and different lengths of alkyl chains (with 6, 9, 12 carbon chains for CBN1-CBN3, respectively). CBN1-CBN3 were able to be self-assembled into liposomes with an average diameter in the range of 320-240 nm, showing the ability to effectively condense siRNA. Among them, CBN2, with a nine-carbon alkyl chain, displayed the best anticancer efficiency in A549 cells. In order to give nanomedicines a stealth property and PEGylation/dePEGylation transition, a GSH-responsive PEGylated TPE derivative containing a disulfide linkage (TSP) was further designed and prepared. A combination of CBN2/siRNA complexes and DOPE with TSP resulted in GSH/ROS dual-responsive lipid-polymer hybrid nanoparticles (CBN2-DP/siRNA NPs). In present GSH and H2O2, CBN2-DP/siRNA NPs were decomposed, resulting in the controlled release of CPT drug and siRNA. In vitro, CBN2-DP/siPHB1 NPs showed the best anticancer activity for suppression of about 75% of A549 cell proliferation in a serum medium. The stability of CBN2-DP/siRNA NPs was significantly prolonged in blood circulation, and they showed effective accumulation in the A549 tumor site through an enhanced permeability and retention (EPR) effect. In vivo, CBN2-DP/siPHB1 NPs demonstrated enhanced synergistic cancer therapy efficacy and tumor inhibition as high as 71.2%. This work provided a strategy for preparing lipid-polymer hybrid NPs with GSH/ROS dual-responsive properties and an intriguing method for lung cancer therapy.


Biocompatible Materials , Camptothecin , Cell Proliferation , Drug Screening Assays, Antitumor , Lung Neoplasms , Nanoparticles , RNA, Small Interfering , Reactive Oxygen Species , Humans , Lung Neoplasms/drug therapy , Lung Neoplasms/pathology , Lung Neoplasms/metabolism , Nanoparticles/chemistry , Reactive Oxygen Species/metabolism , RNA, Small Interfering/chemistry , Camptothecin/chemistry , Camptothecin/pharmacology , Biocompatible Materials/chemistry , Biocompatible Materials/pharmacology , Biocompatible Materials/chemical synthesis , Cell Proliferation/drug effects , Materials Testing , Glutathione/chemistry , Glutathione/metabolism , Antineoplastic Agents/chemistry , Antineoplastic Agents/pharmacology , A549 Cells , Particle Size , Lipids/chemistry , Molecular Structure , Animals , Cell Survival/drug effects , Mice , Prohibitins
4.
Front Oncol ; 14: 1323192, 2024.
Article En | MEDLINE | ID: mdl-38500655

Background: Serum albumin levels and cancer mortality are closely related, yet large-sample studies encompassing a broad spectrum of cancer types are lacking. Methods: This study encompassed patients diagnosed with cancer across the continuous 10 cycles of NHANES surveys from 1999 to 2018. The study population was stratified into two groups based on median albumin levels (≤ 4.2g/dL and > 4.2 g/dL) or cancer aggressiveness (well-survived cancers and poorly-survived cancers). Survival rates were estimated using the Kaplan-Meier method. The Cox proportional hazards model was employed to evaluate the association between serum albumin levels and cancer mortality. Restricted cubic spline (RCS) analysis was conducted to assess the nonlinear relationship between serum albumin levels and the risk of cancer mortality. Results: Kaplan-Meier curves demonstrated that patients with albumin levels ≤ 4.2 g/dL exhibited lower survival rates compared to those with levels > 4.2 g/dL, irrespective of cancer aggressiveness. Following adjustment for confounders, decreased albumin levels were associated with an elevated risk of cancer mortality across all groups [all cancers, HR (95%CI) = 2.03(1.73, 2.37); well survived cancers, HR (95%CI) = 1.78(1.38, 2.32); and poorly survived cancers, HR (95%CI) = 1.99(1.64, 2.42)]. RCS analyses revealed a stable nonlinear negative association between albumin levels and cancer mortality in all groups, regardless of confounder adjustment. Conclusion: Low serum albumin levels predict higher cancer mortality. Furthermore, a nonlinear negative association was observed between serum albumin levels and the risk of cancer mortality.

5.
Behav Sci (Basel) ; 14(3)2024 Mar 04.
Article En | MEDLINE | ID: mdl-38540508

Loving-kindness meditation (LKM) has been widely used in promoting mental health, with positive emotions as an important mechanism. The current study explored the impact of background music on the effects and difficulties of LKM practice. Two hundred participants were randomly divided into six groups, wherein LKM plus music with harmony only, LKM plus music with harmony and melody, and LKM without music were presented in a different order during the intermediate three days of a five-day LKM intervention. Participants reported three types of positive emotions (pro-social, low-arousal, and medium-arousal positive emotions) and the difficulties during meditation (lack of concentration and lack of pro-social attitudes) after each of three sessions. The results of MANOVA indicated that compared to the session without music, incorporating music could evoke more low-arousal positive emotions and pro-social positive emotions without altering the difficulties. However, the results did not reveal significant differences in the effects of music with harmony and music with harmony and melody on both emotions and difficulties. Additionally, practice effects may have influenced the generation of medium-arousal positive emotions and the difficulty of concentration, but the results were inconsistent across groups. Our findings suggest potential benefits for practitioners of LKM in incorporating music during the meditation process, and the directions for future research were further discussed.

6.
Light Sci Appl ; 13(1): 52, 2024 Feb 20.
Article En | MEDLINE | ID: mdl-38374161

Raman spectroscopy has tremendous potential for material analysis with its molecular fingerprinting capability in many branches of science and technology. It is also an emerging omics technique for metabolic profiling to shape precision medicine. However, precisely attributing vibration peaks coupled with specific environmental, instrumental, and specimen noise is problematic. Intelligent Raman spectral preprocessing to remove statistical bias noise and sample-related errors should provide a powerful tool for valuable information extraction. Here, we propose a novel Raman spectral preprocessing scheme based on self-supervised learning (RSPSSL) with high capacity and spectral fidelity. It can preprocess arbitrary Raman spectra without further training at a speed of ~1 900 spectra per second without human interference. The experimental data preprocessing trial demonstrated its excellent capacity and signal fidelity with an 88% reduction in root mean square error and a 60% reduction in infinite norm ([Formula: see text]) compared to established techniques. With this advantage, it remarkably enhanced various biomedical applications with a 400% accuracy elevation (ΔAUC) in cancer diagnosis, an average 38% (few-shot) and 242% accuracy improvement in paraquat concentration prediction, and unsealed the chemical resolution of biomedical hyperspectral images, especially in the spectral fingerprint region. It precisely preprocessed various Raman spectra from different spectroscopy devices, laboratories, and diverse applications. This scheme will enable biomedical mechanism screening with the label-free volumetric molecular imaging tool on organism and disease metabolomics profiling with a scenario of high throughput, cross-device, various analyte complexity, and diverse applications.

7.
Lancet ; 403(10429): 813-823, 2024 Mar 02.
Article En | MEDLINE | ID: mdl-38387470

BACKGROUND: Hepatitis E virus (HEV) is a frequently overlooked causative agent of acute hepatitis. Evaluating the long-term durability of hepatitis E vaccine efficacy holds crucial importance. METHODS: This study was an extension to a randomised, double-blind, placebo-controlled, phase-3 clinical trial of the hepatitis E vaccine conducted in Dontai County, Jiangsu, China. Participants were recruited from 11 townships in Dongtai County. In the initial trial, a total of 112 604 healthy adults aged 16-65 years were enrolled, stratified according to age and sex, and randomly assigned in a 1:1 ratio to receive three doses of hepatitis E vaccine or placebo intramuscularly at month 0, month 1, and month 6. A sensitive hepatitis E surveillance system including 205 clinical sentinels, covering the entire study region, was established and maintained for 10 years after vaccination. The primary outcome was the per-protocol efficacy of hepatitis E virus vaccine to prevent confirmed hepatitis E occurring at least 30 days after administration of the third dose. Throughout the study, the participants, site investigators, and laboratory staff remained blinded to the treatment assignments. This study is registered with ClinicalTrials.gov (NCT01014845). FINDINGS: During the 10-year study period from Aug 22, 2007, to Oct 31, 2017, 90 people with hepatitis E were identified; 13 in the vaccine group (0·2 per 10 000 person-years) and 77 in the placebo group (1·4 per 10 000 person-years), corresponding to a vaccine efficacy of 83·1% (95% CI 69·4-91·4) in the modified intention-to-treat analysis and 86·6% (73·0 to 94·1) in the per-protocol analysis. In the subsets of participants assessed for immunogenicity persistence, of those who were seronegative at baseline and received three doses of hepatitis E vaccine, 254 (87·3%) of 291 vaccinees in Qindong at the 8·5-year mark and 1270 (73·0%) of 1740 vaccinees in Anfeng at the 7·5-year mark maintained detectable concentrations of antibodies. INTERPRETATION: Immunisation with this hepatitis E vaccine offers durable protection against hepatitis E for up to 10 years, with vaccine-induced antibodies against HEV persisting for at least 8·5 years. FUNDING: National Natural Science Foundation of China, Fujian Provincial Natural Science Foundation, Chinese Academy of Medical Sciences Innovation Fund for Medical Sciences, and the Fundamental Research Funds for the Central Universities.


Hepatitis E , Viral Hepatitis Vaccines , Adult , Humans , Antibodies, Viral , Hepatitis E/prevention & control , Vaccination
8.
Int Immunopharmacol ; 127: 111304, 2024 Jan 25.
Article En | MEDLINE | ID: mdl-38091826

Acute viral myocarditis can progress to chronic myocarditis leading to dilated cardiomyopathy (DCM). Persistent CD4+ T-cell-mediated autoimmunity triggered by infection plays a critical role in this progression. Increasing evidence demonstrates that effector memory CD4+T (CD4+TEM) cells, a subset of memory CD4+ T cells, are crucial pathogenic mediators of many autoimmune diseases. However, the role of CD4+TEM cells during the progression from acute viral myocarditis to DCM remains unknown. In this study, we observed an increase in CD4+TEM cells both in the periphery and the heart, and memory CD4+ T cells were the predominant sources of IL-17A and IFN-γ among inflamed heart-infiltrating CD4+ T cells during the progression from acute myocarditis to chronic myocarditis and DCM in CVB3-induced BALB/c mice. Moreover, splenic CD4+TEM cells sorted from DCM mice induced by CVB3 were found to respond to cardiac self-antigens ex vivo. Additionally, adoptive transfer experiments substantiated their pathogenic impact, inducing sustained myocardial inflammation, tissue fibrosis, cardiac injury, and impairment of cardiac systolic function in vivo. Our findings illustrate that long-lived CD4+TEM cells are important contributors to the progression from acute viral myocarditis into DCM.


Autoimmune Diseases , Cardiomyopathy, Dilated , Coxsackievirus Infections , Myocarditis , Mice , Animals , Cardiomyopathy, Dilated/pathology , T-Lymphocytes/pathology , Mice, Inbred BALB C , Myocardium/pathology , Coxsackievirus Infections/complications , Enterovirus B, Human
9.
J Mater Chem B ; 11(37): 8943-8955, 2023 09 27.
Article En | MEDLINE | ID: mdl-37727888

A novel dual-responsive nanoparticle (NP) system was aimed to be developed for the co-delivery of camptothecin (CPT) and plasmid encoding TNF-related apoptosis-inducing ligand (pTRAIL) DNA in cancer therapy. The combination of the prodrug CPT and the nucleic acid condensing di-(triazole-[12]aneN3) unit with 4-nitrobenzyl ester through alkyl chains resulted in three nitroreductase (NTR) responsive amphiphiles, CNN1-CNN3 (with 5, 8, and 11 carbon chains, respectively). Among them, CNN2 was the most effective in inhibiting the proliferation of HeLa cells in the presence of fusogenic lipid DOPE. The NPs composed of CNN2, pDNA, and DOPE were further co-assembled with ROS-responsive thioketal-linked amphiphilic polymer (TTP) to afford the core-shell NPs (CNN2-DT/pDNA) with an average size of 118 nm, which exhibited high drug-loading capacity, excellent serum tolerance, and good biocompatibility. In the presence of ROS, NTR, and NADH, the core-shell NPs were decomposed, leading to the efficient release of 80% CPT and abundant pDNA. The self-assembly and delivery process of CNN2-DT NPs and DNA were clearly observed through the AIE fluorescent imaging. In vitro and in vivo results demonstrated that the CNN2-DT/pTRAIL NPs synergistically promoted 68% apoptosis of tumor cells and inhibited tumor growth with negligible toxic side effects. This study showed that the combination of prodrug and nucleic acid through dual-responsive core-shell NPs provide a spatially and temporally-controlled strategy for cancer therapy.


Nanoparticles , Neoplasms , Nucleic Acids , Prodrugs , Humans , HeLa Cells , Prodrugs/pharmacology , Reactive Oxygen Species , Nitroreductases , Camptothecin/pharmacology , Polyethylene Glycols
10.
Nutrients ; 15(18)2023 Sep 08.
Article En | MEDLINE | ID: mdl-37764694

The relationship between coffee consumption and diabetes-related vascular complications remains unclear. To eliminate confounding by smoking, this study assessed the relationships of coffee consumption with major cardiovascular disease (CVD) and microvascular disease (MVD) in never-smokers with type 2 diabetes mellitus (T2DM). Included were 9964 never-smokers with T2DM from the UK Biobank without known CVD or cancer at baseline (7781 were free of MVD). Participants were categorized into four groups according to daily coffee consumption (0, 0.5-1, 2-4, ≥5 cups/day). CVD included coronary heart disease (CHD), myocardial infarction (MI), stroke, and heart failure (HF). MVD included retinopathy, peripheral neuropathy, and chronic kidney disease (CKD). Cox regression models were used to estimate hazard ratios (HRs) and 95% confidential intervals (CIs) of total CVD and MVD and the component outcomes associated with coffee consumption. During a median of 12.7 years of follow-up, 1860 cases of CVD and 1403 cases of MVD were identified. Coffee intake was nonlinearly and inversely associated with CVD (P-nonlinearity = 0.023) and the component outcomes. Compared with no coffee intake, HRs (95% CIs) associated with a coffee intake of 2 to 4 cups/day were 0.82 (0.73, 0.93) for CVD, 0.84 (0.73, 0.97) for CHD, 0.73 (0.57, 0.92) for MI, 0.76 (0.57, 1.02) for stroke, and 0.68 (0.55, 0.85) for HF. Higher coffee intake (≥5 cups/day) was not significantly associated with CVD outcomes. Coffee intake was linearly and inversely associated with risk of CKD (HR for ≥5 vs. 0 cups/day = 0.64; 95% CI: 0.45, 0.91; P-trend = 0.0029) but was not associated with retinopathy or peripheral neuropathy. Among never-smoking individuals with T2DM, moderate coffee consumption (2-4 cups/day) was associated with a lower risk of various CVD outcomes and CKD, with no adverse associations for higher consumption.


Cardiovascular Diseases , Coronary Disease , Diabetes Mellitus, Type 2 , Heart Failure , Myocardial Infarction , Renal Insufficiency, Chronic , Stroke , Humans , Adult , Coffee , Diabetes Mellitus, Type 2/epidemiology , Diabetes Mellitus, Type 2/complications , Risk Factors , Incidence , Cardiovascular Diseases/etiology , Myocardial Infarction/complications , Smoking/epidemiology , Coronary Disease/epidemiology , Coronary Disease/complications , Heart Failure/complications , Stroke/epidemiology , Stroke/etiology , Renal Insufficiency, Chronic/complications
11.
Nutrients ; 15(16)2023 Aug 11.
Article En | MEDLINE | ID: mdl-37630736

Prediabetes presents a high-risk state for the development of various diseases and is reversible by adhering to a healthy lifestyle. We conducted this analysis to explore the associations of the Healthy Eating Index-2015 (HEI-2015) and the Alternate Mediterranean Diet Index (aMed index) with the risk of prediabetes. The data were derived from the National Health and Nutrition Examination Survey, including 20,844 participants. Multivariable-adjusted odds ratios (OR) of prediabetes and 95% confidence intervals (CI) by tertile of diet quality scores were estimated using a weighted logistic regression. Compared to those in the lowest tertile, the multivariable-adjusted OR of prediabetes for the highest tertile was 0.82 (95% CI: 0.72, 0.94; p for trend = 0.005) for HEI-2015 and 0.87 (95% CI: 0.76, 0.98; p for trend = 0.02) for the aMed index. After mutual adjustment, the association for HEI-2015 (p for trend = 0.03) but not for the aMed index (p for trend = 0.59) remained significant. Among the component food groups and nutrients, higher intakes of red and processed meat, sodium, and total saturated fatty acids were associated with a higher risk of prediabetes, while moderate alcohol consumption was associated with a lower risk. In conclusion, adherence to the 2015-2020 Dietary Guidelines for Americans, as compared with the Mediterranean Diet, appeared to be more strongly associated with a lower risk of prediabetes among adults in the United States.


Diet, Mediterranean , Prediabetic State , Adult , Humans , United States/epidemiology , Prediabetic State/epidemiology , Nutrition Surveys , Meat , Nutrition Policy
12.
J Med Virol ; 95(8): e29004, 2023 08.
Article En | MEDLINE | ID: mdl-37526413

Although most patients with acute viral myocarditis recover spontaneously, some patients progress to heart failure. Perturbations in innate immunity may partially explain the heterogeneity of clinical outcomes. As the most abundant immune cells in the heart, cardiac macrophages have heterogeneous origins, including embryonic-derived resident macrophages (ResMϕs) and monocyte-derived macrophages (MoMFs). However, the time course change and role of cardiac macrophage subsets has not been fully explored. In the present study, we found that BALB/c mice had prolonged MoMF accumulation and low proportions of ResMϕs that could not be restored to normal levels. MoMFs of BALB/c mice generally exhibit an M1-dominant functional phenotype. Moreover, the preferential depletion of MoMF by a C-C chemokine receptor type 2 (CCR2) inhibitor resulted in improved acute myocarditis and chronic fibrosis, as well as the recovery of ResMϕs number and reduced CD4+ T cell expansion. Hence, immunomodulatory therapy that targets the balance among cardiac macrophages and modulates their function is expected to prevent the progression of cardiac injury to overt heart failure and improve adverse outcomes.


Coxsackievirus Infections , Heart Failure , Myocarditis , Mice , Animals , Enterovirus B, Human/physiology , Heart , Macrophages
13.
Heliyon ; 9(8): e18396, 2023 Aug.
Article En | MEDLINE | ID: mdl-37576278

Alzheimer's disease (AD) is a progressive neurodegenerative disease commonly seen in the middle-aged and the elder. Its clinical presentations are mainly memory impairment and cognitive impairment. Its cardinal pathological features are the deposition of extracellular Amyloid-ß (Aß), intracellular neurofibrillary tangles and synaptic dysfunction. The etiology of AD is complex and the pathogenesis remains unclear. Having AD would lead to awful living experience of it's patients, which may be a burden to the patient even to the public health care system. However, there are no certain cure for AD. Thus it's significant for both medical value and social meaning to find the way to cure or prevent AD and to research on the pathogenesis of AD. In this work, the molecular docking technology, pharmacokinetic analysis and pharmacological experiments were employed to analyse the natural active compounds and the mechanisms against AD based on the synaptic plasticity. A total of seven target proteins related to the synaptic plasticity and 44 natural active compounds with potential to enhance the synaptic plasticity were obtained through a literature review and network pharmacological analysis. Computer-Aided Drug Design (CADD) method was used to dock the anti-AD key target proteins with the 44 compounds. The compounds with good binding effect were screened. Three anti-AD active compounds based on the synaptic plasticity were obtained, including Curcumin, Withaferin A and Withanolide A. In addition, pharmacological experiments were carried out on Withaferin A and Withanolide A based on its good docking results. The experimental results showed that Withaferin A has good anti-AD potential and great potential to enhance synaptic plasticity. The anti-AD effect can be achieved through a multi-target synergistic mechanism.

14.
Dalton Trans ; 52(33): 11395-11400, 2023 Aug 22.
Article En | MEDLINE | ID: mdl-37577840

Regioselective epoxide ring-opening through hydroboration catalysed by a vanadium(III) dialkyl complex supported by a redox-active terpyridine ligand is reported. Secondary alcohols were obtained in high yields via effective Markovnikov hydroboration of terminal epoxides, showcasing a new catalytic application of an earth-abundant vanadium(III) complex.

15.
J Chem Phys ; 159(2)2023 Jul 14.
Article En | MEDLINE | ID: mdl-37428049

AgPd nanoalloys often undergo structural evolution during catalytic reactions; the mechanism underlying such restructuring remains largely unknown due to the use of oversimplified interatomic potentials in simulations. Herein, a deep-learning potential is developed for AgPd nanoalloys based on a multiscale dataset spanning from nanoclusters to bulk configurations, exhibits precise predictions of mechanical properties and formation energies with near-density functional theory accuracy, calculates the surface energies closer to experimental values compared to those obtained by Gupta potentials, and is applied to investigate the shape reconstruction of single-crystalline AgPd nanoalloys from cuboctahedron (Oh) to icosahedron (Ih) geometries. The Oh to Ih shape restructuring is thermodynamically favorable and occurs at 11 and 92 ps for Pd55@Ag254 and Ag147@Pd162 nanoalloys, respectively. During the shape reconstruction of Pd@Ag nanoalloys, concurrent surface restructuring of the (100) facet and internal multi-twinned phase change are observed with collaborative displacive characters. The presence of vacancies can influence the final product and reconstructing rate of Pd@Ag core-shell nanoalloys. The Ag outward diffusion on Ag@Pd nanoalloys is more pronounced in Ih geometry compared to Oh geometry and can be further accelerated by the Oh to Ih deformation. The deformation of single-crystalline Pd@Ag nanoalloys is characterized by a displacive transformation involving the collaborative displacement of a large number of atoms, distinguishing it from the diffusion-coupled transformation of Ag@Pd nanoalloys.

16.
Nanoscale ; 15(26): 11131-11140, 2023 Jul 06.
Article En | MEDLINE | ID: mdl-37338436

Formate is a promising hydrogen carrier for safe storage and transport and a fuel for direct formate fuel cells. However, the sluggish kinetics of catalysts for formate dehydrogenation (FDH) and oxidation reactions (FORs) significantly limit the potential applications of formate. Strain effects can effectively modulate catalytic properties by altering the electronic structure. Nevertheless, the lack of theoretical principles to quantify atomic strain and its effects on FDH and FOR catalytic activity has made experimental efforts laborious. In this work, we establish a database of atomic strain distributions for AgPd nanoalloys, reveals that the presence of compressive strain at the edges and corners and compressive strain exerted on the surface of Ag@Pd nanoalloys, particularly the one with an icosahedral shape, boost the FDH and FOR catalytic activity by shifting down the d-band center, thus weakening the adsorption of key intermediate Had. This study provides a theoretical perspective on the development and use of formate as a hydrogen carrier and fuel.

17.
Front Psychiatry ; 14: 1125411, 2023.
Article En | MEDLINE | ID: mdl-37215678

Introduction: This study aimed to explore potential risk factors for mental health concerns, and the prediction model for mental health concerns in Chinese soldiers was constructed through combined eligible risk factors. Methods: This cross-sectional study was performed on soldiers under direct command from Gansu, Sichuan, and Chongqing in China, and the soldiers were selected by cluster convenient sampling from 16 October 2018 to 10 December 2018. The Symptom Checklist-90 (SCL-90) and three questionnaires (Military Mental Health Status Questionnaire, Military Mental Health Ability Questionnaire, and Mental Quality Questionnaire for Army Men) were administered, including demographics, military careers, and 18 factors. Results: Of 1,430 Chinese soldiers, 162 soldiers presented mental disorders, with a prevalence of 11.33%. A total of five risk factors were identified, including serving place (Sichuan vs. Gansu: OR, 1.846, 95% CI: 1.028-3.315, P = 0.038; Chongqing vs. Gansu: OR, 3.129, 95% CI, 1.669-5.869, P = 0.003), psychosis (OR, 1.491, 95% CI, 1.152-1.928, P = 0.002), depression (OR, 1.482, 95% CI, 1.349-1.629, P < 0.001), sleep problems (OR, 1.235, 95% CI, 1.162-1.311, P < 0.001), and frustration (OR, 1.050, 95% CI, 1.015-1.087, P = 0.005). The area under the ROC curve by combining these factors was 0.930 (95% CI: 0.907-0.952) for predicting mental disorders in Chinese soldiers. Conclusion: The findings of this study demonstrate that mental disorders and onset in Chinese soldiers can be predicted on the basis of these three questionnaires, and the predictive value of the combined model was high.

18.
Nanoscale ; 15(15): 7032-7043, 2023 Apr 13.
Article En | MEDLINE | ID: mdl-36974475

The study provides a proof of concept for the first time that unique palladium-gold (PdAu) and palladium-silver (PdAg) nanodendrites are bifunctional catalytic active sites for formate oxidation reactions (FORs) and formate dehydrogenation reactions (FDRs). The unique nanodendritic structure was developed via a simple galvanic displacement reaction for the direct growth of PdAu and PdAg nanodendrites on a nickel foam (PdAu/NiNF and PdAg/NiNF). These PdAu/NiNF and PdAg/NiNF electrodes exhibited 2.32 and 1.59 times higher specific activity than that of the commercial Pd/C electrode and promising stability toward FORs. Moreover, the PdAu/NiNF and PdAg/NiNF nanodendrites were also highly active and selective catalysts for hydrogen generation from a formate solution with turnover frequency (TOF) values of 311 h-1 and 287 h-1 respectively. Impressively, a passive air-breathing formate fuel cell with PdAu/NiNF used as an anode can yield an open-circuit voltage of 1.12 V and a peak power density of 21.7 mW cm-2, which outperforms most others reported in the literature. PdAu and PdAg nanodendritic catalysts supported on a nickel foam demonstrate an open structure and uniform catalyst distribution and offer a promising nanoalloy for air-breathing formate fuel cells and on-site chemical hydrogen production systems.

19.
Ecotoxicol Environ Saf ; 253: 114688, 2023 Mar 15.
Article En | MEDLINE | ID: mdl-36842277

The soil contamination caused by the discharge of cadmium (Cd) from coal mining activities has aroused continuous attention due to the detrimental effects on the human health. This study aimed to investigate the characteristics on distribution of Cd in soils and its accumulation in wheat grains under wheat-cultivation system, and further assess the human health risks to adults and children. 58 soils and wheat samples in pairs from Linhuan coal mining area, Anhui Province were collected and analyzed. Results showed that the concentrations of Cd in 17.24% of soil samples exceeded the limit value established by the Ministry of Ecology and Environment. The ordinary kriging interpolation displayed that the spatial variability of Cd concentrations in soils was mainly influenced by coal mining activities. The transfer capacity of Cd from soils to wheat roots was greater than that from the wheat roots to grains. Multiple linear regression model clarified that soil pH and exchangeable Cd fraction in soils were the critical factors affecting the Cd accumulation in wheat grains. The carcinogenic risk of Cd levels in our studied wheat grains was a concern but still within the acceptable range, while their non-carcinogenic hazard was negligible for adults and children. The calculation results were in accord with the uncertainty analysis conclusion based on Monte Carlo simulation. The study was expected to promote the source management and control strategy of reducing tailing discharge, and providing scientific references for current soil remediation and land degradation prevention.


Coal Mining , Metals, Heavy , Soil Pollutants , Adult , Child , Humans , Cadmium/metabolism , Soil , Triticum/metabolism , Environmental Monitoring , Soil Pollutants/analysis , China , Risk Assessment , Metals, Heavy/analysis
20.
Faraday Discuss ; 242(0): 499-521, 2023 Jan 31.
Article En | MEDLINE | ID: mdl-36178069

The methanol oxidation reaction (MOR) is crucial in many energy-conversion devices. Although intensive efforts have been devoted to improving the MOR catalytic activity of Pt-based catalysts by treatment or alloying, enhancing the MOR catalyst performance utilizing solar energy has been less investigated. PtAg nanoalloys, combining the intrinsic catalytic activity of Pt toward the MOR with the visible spectrum plasmonic response of Ag, are expected to be a good MOR catalyst for solar energy, however, it remains challenging to incorporate these immiscible elements into a nanoalloy in a controlled way using conventional synthetic techniques. Herein, we proposed a general strategy for alloying silver and platinum elements into single-phase solid-solution nanoparticles with arbitrarily desired composition by bonding pure Pt targets with pure Ag strips in an improved pulsed laser deposition. The as-prepared PtAg nanoalloys show two crystalline phases and an average particle size of about 4 nm. To prove utility, we use the PtAg nanoalloys as support-free MOR catalysts anchored on the surface of a glassy carbon electrode solidly and uniformly. The PtAg nanoalloys exhibit a mass catalytic activity of 3.6 A mg-1, which is 4.5 times higher than that of the commercial Pt/C catalyst. Besides, the PtAg nanoalloys exhibit a promising regenerability after reactivation by cyclic voltammetry. Furthermore, the MOR catalytic activity of PtAg nanoalloys increased by 16% under irradiation by simulated sunlight, which is attributed to the surface plasmon resonance as ascertained from the UV-vis absorption spectra and photocurrent response experiments. These studies are believed to provide a new strategy for the enhancement of MOR catalytic activity with visible light as the driving force.

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