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1.
Biosens Bioelectron ; 258: 116373, 2024 Aug 15.
Artículo en Inglés | MEDLINE | ID: mdl-38729048

RESUMEN

Breast cancer is reported to be one of the most lethal cancers in women, and its multi-target detection can help improve the accuracy of diagnosis. In this work, a cluster regularly interspaced short palindromic repeats (CRISPR)-Cas13a/Cas12a-based system was established for the simultaneous fluorescence detection of breast cancer biomarkers circROBO1 and BRCA1. CRISPR-Cas13a and CRISPR-Cas12a were directly activated by their respective targets, resulting in the cleavage of short RNA and DNA reporters, respectively, thus the signals of 6-carboxyfluorescein (FAM) and 6-carboxy-xrhodamine (ROX) were restored. As the fluorescence intensities of FAM and ROX were dependent on the concentrations of circROBO1 and BRCA1, respectively, synchronous fluorescence scanning could achieve one-step detection of circROBO1 and BRCA1 with detection limits of 0.013 pM and 0.26 pM, respectively. The system was highly sensitive and specific, holding high diagnostic potential for the detection of clinical samples. Furthermore, the competing endogenous RNA mechanism between circROBO1 and BRCA1 was also explored, providing a reliable basis for the intrinsic regulatory mechanism of breast cancer.


Asunto(s)
Proteína BRCA1 , Biomarcadores de Tumor , Técnicas Biosensibles , Neoplasias de la Mama , Sistemas CRISPR-Cas , Humanos , Neoplasias de la Mama/genética , Neoplasias de la Mama/diagnóstico , Femenino , Biomarcadores de Tumor/genética , Técnicas Biosensibles/métodos , Proteína BRCA1/genética , ARN Circular/genética , Límite de Detección , Fluoresceínas/química , Proteínas Asociadas a CRISPR/genética
3.
Ecotoxicol Environ Saf ; 279: 116488, 2024 May 21.
Artículo en Inglés | MEDLINE | ID: mdl-38776782

RESUMEN

Organophosphorus flame retardants, such as triphenyl phosphate (TPhP), exist ubiquitously in various environments owing to their widespread usage. Potential toxic effects of residual flame retardants on cultured non-fish species are not concerned commonly. TPhP-induced physiological and biochemical effects in an aquatic turtle were evaluated here by systematically investigating the changes in growth and locomotor performance, hepatic antioxidant ability and metabolite, and intestinal microbiota composition of turtle hatchlings after exposure to different TPhP concentrations. Reduced locomotor ability and antioxidant activity were only observed in the highest concentration group. Several metabolic perturbations that involved in amino acid, energy and nucleotide metabolism, in exposed turtles were revealed by metabolite profiles. No significant among-group difference in intestinal bacterial diversity was observed, but the composition was changed markedly in exposed turtles. Increased relative abundances of some bacterial genera (e.g., Staphylococcus, Vogesella and Lawsonella) probably indicated adverse outcomes of TPhP exposure. Despite having only limited impacts of exposure at environmentally relevant levels, our results revealed potential ecotoxicological risks of residual TPhP for aquatic turtles considering TPhP-induced metabolic perturbations and intestinal bacterial changes.

4.
Org Lett ; 2024 May 20.
Artículo en Inglés | MEDLINE | ID: mdl-38767940

RESUMEN

Catalytic cyclization via dual C-H bond activation has evolved as a powerful strategy for building bi- and polycyclic molecules. Herein, a palladium-catalyzed annulation of tertiary anilines with 3-butenoic acid via N-α-C(sp3)-H and ortho-C(sp2)-H activation is described. The remarkable characteristics of this reaction include excellent diastereoselectivity, broad substrate scope, and good tolerance for some highly sensitive groups. In addition, the KIE experiment suggested that the C-H bond abscission is not the turnover-limiting step.

5.
J Colloid Interface Sci ; 670: 103-113, 2024 May 03.
Artículo en Inglés | MEDLINE | ID: mdl-38759265

RESUMEN

The design and development of high-performance and long-life Pt-free catalysts for the oxygen reduction reaction (ORR) is of great important with respect to metal-air batteries and fuel cells. Herein, a new low-cost covalent organic frameworks (COFs)-derived CoNC single-atoms catalyst (SAC) is fabricated and compared with the engineered nanoparticle (NP) counterpart for ORR activity. The ORR performance of the SAC catalyst (CoSA@NC) surpasses the NP counterpart (CoNP-NC) under the same operation condition. CoSA@NC also achieves improved long-term durability and better methanol tolerance compared with the Pt/C. The zinc-air battery assembled by the CoSA@NC cathode delivers a higher power density and energy density than that of commercial Pt/C catalyst. Molecular dynamics (MD) is performed to explain the spontaneous evolution from clusters to single-atom metal configuration and density functional theory (DFT) calculations find that CoSA@NC possesses lower d-band center, resulting in weaker interaction between the surface and the O-containing intermediates. Consequently, the reductive desorption of OH*, the rate-determine step, is further accelerated.

6.
Front Cell Dev Biol ; 12: 1381920, 2024.
Artículo en Inglés | MEDLINE | ID: mdl-38566827

RESUMEN

Introduction: Despite the abundance of research indicating the participation of immune cells in prostate cancer development, establishing a definitive cause-and-effect relationship has proven to be a difficult undertaking. Methods: This study employs Mendelian randomization (MR), leveraging genetic variables related to immune cells from publicly available genome-wide association studies (GWAS), to investigate this association. The primary analytical method used in this study is inverse variance weighting (IVW) analysis. Comprehensive sensitivity analyses were conducted to assess the heterogeneity and horizontal pleiotropy of the results. Results: The study identifies four immune cell traits as causally contributing to prostate cancer risk, including CD127- CD8+ T cell %CD8+ T cell (OR = 1.0042, 95%CI:1.0011-1.0073, p = 0.0077), CD45RA on CD39+ resting CD4 regulatory T cell (OR = 1.0029, 95%CI:1.0008-1.0050, p = 0.0065), CD62L- Dendritic Cell Absolute Count (OR = 1.0016; 95%CI:1.0005-1.0026; p = 0.0039), CX3CR1 on CD14+ CD16- monocyte (OR = 1.0024, 95%CI:1.0007-1.0040, p = 0.0060). Additionally, two immune cell traits are identified as causally protective factors: CD4 on monocyte (OR = 0.9975, 95%CI:0.9958-0.9992, p = 0.0047), FSC-A on plasmacytoid Dendritic Cell (OR = 0.9983, 95%CI:0.9970-0.9995, p = 0.0070). Sensitivity analyses indicated no horizontal pleiotropy. Discussion: Our MR study provide evidence for a causal relationship between immune cells and prostate cancer, holding implications for clinical diagnosis and treatment.

7.
Nanomaterials (Basel) ; 14(8)2024 Apr 17.
Artículo en Inglés | MEDLINE | ID: mdl-38668186

RESUMEN

Lithium-sulfur (Li-S) batteries with a high theoretical energy density of 2600 Wh·kg-1 are hindered by challenges such as low S conductivity, the polysulfide shuttle effect, low S reduction conversion rate, and sluggish Li2S oxidation kinetics. Herein, single-atom non-noble metal catalysts (SACs) loaded on two-dimensional (2D) vanadium disulfide (VS2) as the potential host materials for the cathode in Li-S batteries were investigated systematically by using first-principles calculations. Based on the comparisons of structural stability, the ability to immobilize sulfur, electrochemical reactivity, and the kinetics of Li2S oxidation decomposition between these non-noble metal catalysts and noble metal candidates, Nb@VS2 and Ta@VS2 were identified as the potential candidates of SACs with the decomposition energy barriers for Li2S of 0.395 eV (Nb@VS2) and of 0.162 eV (Ta@VS2), respectively. This study also identified an exothermic reaction for Nb@VS2 and the Gibbs free energy of 0.218 eV for Ta@VS2. Furthermore, the adsorption and catalytic mechanisms of the VS2-based SACs in the reactions were elucidated, presenting a universal case demonstrating the use of unconventional graphene-based SACs in Li-S batteries. This study presents a universal surface regulation strategy for transition metal dichalcogenides to enhance their performance as host materials in Li-S batteries.

8.
ACS Appl Mater Interfaces ; 16(17): 21905-21914, 2024 May 01.
Artículo en Inglés | MEDLINE | ID: mdl-38634487

RESUMEN

For acid-water oxidation, pyrochloric ruthenates are thought to be extremely effective electrocatalysts. In this work, through partial B-site replacement with larger M2+ cations, the electronic states of Y2Ru2O7 with strong electron correlations are reasonably managed, by which the inherent performance is tremendously promoted. Based on this, the improved Y2Ru1.9Sr0.1O7 electrocatalyst exhibits an outstanding durability and presents a highly inherent mass activity of 1915.1 A gRu-1 (at 1.53 V vs RHE). The enhanced oxygen-evolving reaction (OER) activity by ionic dopant in YRO pyrochlore can be attributed to two aspects, i.e., the lattice distortion induced inhibition of the grain coarsening, which results in a large surface area for YRO-M and increases the OER active sites, and the weakening of electron correlation via broadening of the Ru 4d bandwidths due to the increase of the average radius of B-site ions, which gives rise to an enhancement of conductivity and a strengthened hybridization between Ru 4d and O 2p orbitals and improves the reaction kinetics. The synergistic effects of lattice distortion and orbital hybridization promote the enhanced OER activity. The results would provide fresh concepts for the design of improved electrocatalysts and underscore the significance of managing the intrinsic performance through the dual modification of microstructure morphology and electronic structure.

9.
Front Biosci (Elite Ed) ; 16(1): 6, 2024 Feb 27.
Artículo en Inglés | MEDLINE | ID: mdl-38538524

RESUMEN

BACKGROUND: This research explores the significance of miR-215-5p and vasculogenic mimicry (VM) in forecasting the prognosis for hepatocellular carcinoma (HCC). METHODS: We analyzed HCC-associated miRNA expression profiles using data from The Cancer Genome Atlas (TCGA) and the Gene Expression Omnibus (GEO). Samples included tissue and blood from 80 early-stage HCC patients and serum from 120 healthy individuals. Reverse transcription-quantitative polymerase chain reaction (RT-qPCR) was employed to measure miR-215-5p and zinc finger E-box binding homeobox 2 (ZEB2) gene expressions. Hematoxylin and eosin (H&E) and CD34/Periodic Acid-Schiff (PAS) double staining assessed VM presence in HCC tissue sections. Bioinformatics tools predicted interactions between miR-215-5p and ZEB2, confirmed through luciferase reporter assays. We also examined the impact of miR-215-5p or ZEB2 overexpression on HCC cell invasion, migration, and VM formation using scratch, Transwell invasion assays, and Matrigel 3D cultures. RESULTS: Bioinformatics analysis indicated that miR-215-5p was under-expressed in HCC, particularly in cases with vascular invasion, which correlated with worse patient outcomes. In contrast, ZEB2, targeted by miR-215-5p, was overexpressed in HCC. RT-qPCR validated these expression patterns in HCC tissues. Among the HCC patients, 38 were VM positive and 42 VM negative. Logistic regression highlighted a negative correlation between miR-215-5p levels and VM positivity in HCC tissues and a positive correlation for ZEB2 with VM positivity and tumor vascular invasion. Lower miR-215-5p levels were linked to increased HCC recurrence and metastasis. Both bioinformatics analysis and luciferase assays demonstrated a direct interaction between miR-215-5p and ZEB2. Enhancing miR-215-5p levels reduced ZEB2 expression, consequently diminishing invasion, migration, and VM formation of the HCC cells in vitro. CONCLUSIONS: miR-215-5p expression inversely correlates with VM occurrence in HCC tissues, while ZEB2 expression shows a direct correlation. By targeting ZEB2, miR-215-5p may hinder VM in HCC tissues, helping to prevent vascular invasion and HCC recurrence. Thus, miR-215-5p emerges as a vital prognostic indicator for predicting vascular invasion and recurrence in HCC.


Asunto(s)
Carcinoma Hepatocelular , Neoplasias Hepáticas , MicroARNs , Humanos , Carcinoma Hepatocelular/genética , Neoplasias Hepáticas/genética , MicroARNs/genética , MicroARNs/metabolismo , Línea Celular Tumoral , Luciferasas/genética , Luciferasas/metabolismo , Proliferación Celular , Regulación Neoplásica de la Expresión Génica , Movimiento Celular/genética
10.
Am J Cancer Res ; 14(2): 545-561, 2024.
Artículo en Inglés | MEDLINE | ID: mdl-38455413

RESUMEN

Aberrant autophagy could promote cancer cells to survive and proliferate in prostate cancer (PCa). LncRNAs play key roles in autophagy regulatory network. We established a prognostic model, which autophagy-related lncRNAs (au-lncRNAs) were used as biomarkers to predict prognosis of individuals with PCa. Depending on au-lncRNAs from the Cancer Genome Atlas and the Human Autophagy Database, a risk score model was created. To evaluate the prediction accuracy, the calibration, Kaplan-Meier, and receiver operating characteristic curves were used. To clarify the biological function, gene set enrichment analyses (GSEA) were performed. Quantitative real-time PCR (qRT-PCR) was employed to determine the au-lncRNAs expression in PCa cell lines and healthy prostate cells for further confirmation. We identified five au-lncRNAs with prognostic significance (AC068580.6, AF131215.2, LINC00996, LINC01125 and LINC01547). The development of a risk scoring model required the utilization of multivariate Cox analysis. According to the model, we categorized PCa individuals into low- and high-risk cohorts. PCa subjects in the high-risk group had a worse disease-free survival rate than those in the low-risk group. The 1-, 3-, and 5-year periods had corresponding areas under curves (AUC) of 0.788, 0.794, and 0.818. The prognosis of individuals with PCa could be predicted by the model with accuracy. Further analysis with GSEA showed that the prognostic model was associated with the tumor microenvironment, including immunotherapy, cancer-related inflammation, and metabolic reprogramming. Four lncRNAs expression in PCa cell lines was greater than that in healthy prostate cells. The au-lncRNA prognostic model has significant clinical implications in prognosis of PCa patient.

11.
Cardiovasc Toxicol ; 24(3): 302-320, 2024 Mar.
Artículo en Inglés | MEDLINE | ID: mdl-38453799

RESUMEN

Abdominal aortic aneurysm (AAA) is a chronic vascular degenerative disease. Vascular smooth muscle cells (VSMCs) are essential for maintaining the integrity of healthy blood vessels. Macrophages play an important role in the inflammatory process of AAA. However, the effect of macrophage-derived exosome LncRNA PVT1 on VSMCs is unclear. Exosomes from M1 macrophages (M1φ-exos) were isolated and identified. The expression of LncRNA PVT1 in M1φ-exos was determined. AAA cell model was constructed by treating VSMCs with Ang-II. AAA cell model was treated with M1φ exosomes transfected with si-LncRNA PVT1 (M1φsi-LncRNA PVT1-exo). VSMCs were transfected with miR-186-5p mimic and oe-HMGB1. Cell viability was detected by CCK-8. The accumulation of LDH was detected by ELISA. Western blot was used to detect the expression of HMGB1, inflammatory factors (IL-6, TNF-α and IL-1ß) and pyroptosis-related proteins (GSDMD, N-GSDMD, ASC, NLRP3, Caspase-1 and Cleaved-Capase-1). Cell pyroptosis rate was detected by flow cytometry. At the same time, the targeting relationship between miR-186-5p and LncRNA PVT1 and HMGB1 was verified by double fluorescein experiment. Exosomes from M1φ were successfully extracted. The expression of LncRNA PVT1 in M1φ-exos was significantly increased. M1φ-exo promotes inflammation and pyroptosis of VSMCs. M1φsi-LncRNA PVT1-exos inhibited the inflammation and pyroptosis of VSMCs. LncRNA PVT1 can sponge miR-186-5p mimic to regulate HMGB1 expression. MiR-186-5p mimic further inhibited inflammation and pyroptosis induced by M1φsi-LncRNA PVT1-exos. However, oe-HMGB1 could inhibit the reversal effect of miR-186-5p mimic. LncRNA PVT1 in exosomes secreted by M1φ can regulate HMGB1 by acting as ceRNA on sponge miR-186-5p, thereby promoting cell inflammatory and pyroptosis and accelerating AAA progression.


Asunto(s)
Aneurisma de la Aorta Abdominal , Exosomas , Proteína HMGB1 , MicroARNs , ARN Largo no Codificante , Humanos , Músculo Liso Vascular , Piroptosis , Inflamación , Macrófagos
12.
J Environ Manage ; 354: 120394, 2024 Mar.
Artículo en Inglés | MEDLINE | ID: mdl-38412729

RESUMEN

Algal blooms, exacerbated by climate change and eutrophication, have emerged as a global concern. In this study, we introduce a novel interpretable machine learning (ML) workflow tailored for investigating the dynamics of algal populations in grass-type lakes, Liangzi lake. Utilizing seven ML methods and incorporating the covariance matrix adaptation evolution strategy (CMA-ES), we predict algal density across three distinct time periods, resulting in the construction of a total of 30 ML models. The CMA-ES-CatBoost model consistently demonstrates superior predictive accuracy and generalization capability across these periods. Through the collective validation of various interpretable tools, we identify water temperature and permanganate index as the two most critical water quality parameters (WQIs) influencing algal density in Liangzi Lake. Additionally, we quantify the independent and interactive effects of WQIs on algal density, pinpointing key thresholds and trends. Furthermore, we determine the minimum combination of WQIs that achieves near-optimal predictive performance, striking a balance between accuracy and cost-effectiveness. These findings offer a scientific and economically efficient foundation for governmental agencies to formulate strategies for water quality management and sustainable development.


Asunto(s)
Lagos , Poaceae , Calidad del Agua , Eutrofización , Aprendizaje Automático , Dinámica Poblacional , Monitoreo del Ambiente , China
13.
Comput Biol Med ; 171: 108142, 2024 Mar.
Artículo en Inglés | MEDLINE | ID: mdl-38394805

RESUMEN

As the alternative solution to the conventional guidewire, the magnetic robot can help interventionists perform percutaneous coronary intervention (PCI) because magnetic fields are transparent and safe for biological tissues. Despite extensive research on magnetic robots, the exploration of their deflection control for practical applications still requires further research. In this paper, a hierarchical analysis framework (HAF) is proposed to control the magnetic robot's deflection. Six deflection subpatterns are analyzed through HAF, incorporating statistical and regression analyses to establish governing equations of magnetic robots. The performance of the control equations is validated through precise control of the magnetic continuum robot (MCR) and magnet-tipped robot (MTR) in both uniform and gradient magnetic fields. Experimental results show that under the uniform magnetic field, the average root mean square error (RMSE) of governing equation of MCR is 0.08±0.05°, 0.41±0.34°, 1.47±0.49° and 1.07±0.66° for four-types horizontal deflection, 0.19±0.07mm and 0.16±0.10mm for two-types vertical deflection, respectively. Based on the governing equations, the MTR is able to precisely navigate to coronary arteries with various degrees of stenosis (30%, 52%, and 60%), and successfully pass through a series of rings, with an average error of 1.05 mm. The research successfully demonstrates the potential of HAF in creating robust and reliable governing equations for magnetic actuation in medical robotics, with significant implications for enhancing the precision and safety of PCI procedures.


Asunto(s)
Intervención Coronaria Percutánea , Robótica , Robótica/métodos , Campos Magnéticos , Imanes , Diseño de Equipo
14.
Food Chem ; 444: 138681, 2024 Jun 30.
Artículo en Inglés | MEDLINE | ID: mdl-38335684

RESUMEN

Lactulosyllysine (LL) widely exists in thermally processed dairy products, while the metabolism and transformation of LL remain poorly understood. We aimed to elucidate the metabolic pathways of LL and its impact on body health by subjecting C57BL/6 mice to a short-term ll-fortified casein diet. Our findings indicated that casein-bound LL might be metabolized and transformed into 3-deoxyglucosone through fructosamine-3-kinase (FN3K) in vivo, which promoted α-dicarbonyl stress, ultimately leading to the formation of advanced glycation end products (AGEs) in various tissues/organs, accompanied by systemic inflammation. The levels of AGEs formation in tissues/organs at various stages of casein-bound LL intake exhibited dynamic changes, correlating with alterations in the expression of FN3K and α-dicarbonyl compounds metabolic detoxification enzymes. The negative effects induced by casein-bound LL cannot be fully reversed by switching to a standard diet for equal periods. Consumption of dairy products rich in LL raises concerns as a potential risk factor for healthy individuals.


Asunto(s)
Caseínas , Productos Finales de Glicación Avanzada , Ratones , Animales , Productos Finales de Glicación Avanzada/metabolismo , Caseínas/metabolismo , Ratones Endogámicos C57BL , Glicosilación , Inflamación
15.
BMC Med Imaging ; 24(1): 37, 2024 Feb 07.
Artículo en Inglés | MEDLINE | ID: mdl-38326746

RESUMEN

BACKGROUND: In recent years, spectral CT-derived liver fat quantification method named multi-material decomposition (MMD) is playing an increasingly important role as an imaging biomarker of hepatic steatosis. However, there are various measurement ways with various results among different researches, and the impact of measurement methods on the research results is unknown. The aim of this study is to evaluate the reproducibility of liver fat volume fraction (FVF) using MMD algorithm in nonalcoholic fatty liver disease (NAFLD) patients when taking blood vessel, location, and iodine contrast into account during measurement. METHODS: This retrospective study was approved by the institutional ethics committee, and the requirement for informed consent was waived because of the retrospective nature of the study. 101 patients with NAFLD were enrolled in this study. Participants underwent non-contrast phase (NCP) and two-phase enhanced CT scanning (late arterial phase (LAP) and portal vein phase (PVP)) with spectral mode. Regions of interest (ROIs) were placed at right posterior lobe (RPL), right anterior lobe (RAL) and left lateral lobe (LLL) to obtain FVF values on liver fat images without and with the reference of enhanced CT images. The differences of FVF values measured under different conditions (ROI locations, with/without enhancement reference, NCP and enhanced phases) were compared. Friedman test was used to compare FVF values among three phases for each lobe, while the consistency of FVF values was assessed between each two phases using Bland-Altman analysis. RESULTS: Significant difference was found between FVF values obtained without and with the reference of enhanced CT images. There was no significant difference about FVF values obtained from NCP images under the reference of enhanced CT images between any two lobes or among three lobes. The FVF value increased after the contrast injection, and there were significant differences in the FVF values among three scanning phases. Poor consistencies of FVF values between each two phases were found in each lobe by Bland-Altman analysis. CONCLUSION: MMD algorithm quantifying hepatic fat was reproducible among different lobes, while was influenced by blood vessel and iodine contrast.


Asunto(s)
Yodo , Enfermedad del Hígado Graso no Alcohólico , Humanos , Enfermedad del Hígado Graso no Alcohólico/diagnóstico por imagen , Estudios Retrospectivos , Reproducibilidad de los Resultados , Hígado/diagnóstico por imagen , Algoritmos
16.
Front Med (Lausanne) ; 11: 1351492, 2024.
Artículo en Inglés | MEDLINE | ID: mdl-38318247

RESUMEN

Background: Neutrophils to lymphocytes and platelets (N/LP) ratio has been confirmed as an indirect marker of inflammation. In this study, we aimed to further evaluate the prognostic significance of the N/LP ratio in sepsis patients admitted to the ICU. Methods: Sepsis patients from the Affiliated Hospital of Jiangsu University were retrospectively enrolled from January 2015 and July 2023. The primary outcomes were 30/60 days mortality. The secondary outcomes included the incidence of AKI, vasoactive drug, CRRT, invasive ventilation, length of ICU stay, length of hospital stay and ICU mortality. Results: A total of 1,066 sepsis patients were enrolled with a median age of 75.0 (66.0, 85.0) years, and 62.5% of them being male. The 30 days and 60 days mortality rates were found to be 28.7 and 34.0%, respectively, while the incidence of AKI was 45.2%. Based on their N/LP ratios, we classified the sepsis patients into three groups: low, middle, and high, consisting of 266, 534, and 266 patients, respectively. According the Cox proportional hazard model, the middle and high N/LP groups were associated with a 1.990/3.106-fold increase in 30 days mortality risk and a 2.066/3.046-fold increase in 60 days mortality risk compared with the low N/LP group. Besides, multivariate logistic regression model suggested that the risk of AKI occurrence increased 2.460 fold in the high group compared to the low group. However, through subgroup analyses, we observed substantial variations in the association between N/LP ratios and 30/60 days mortality rates as well as the incidence of AKI among different populations. Notably, the N/LP ratio measured at ICU admission exhibited a higher AUC for predicting 30/60 days mortality (0.684/0.687). Additionally, we observed a good predictive power for the occurrence of AKI (AUC: 0.645) using the N/LP ratio measured at sepsis prognosis. Regarding the other secondary outcomes, the N/LP ratio was associated with disease severity in sepsis patients, including the need for vasoactive drugs, length of ICU stay, and ICU mortality. Conclusion: The N/LP ratio at ICU admission was found to have a significant independent association with 30/60 days mortality and the incidence of AKI in sepsis patients.

18.
Phys Chem Chem Phys ; 26(2): 936-945, 2024 Jan 03.
Artículo en Inglés | MEDLINE | ID: mdl-38088050

RESUMEN

Lithium-sulfur (Li-S) batteries have become a research hotspot due to their high energy density. However, they also have certain disadvantages and limitations. To enhance the performance of Li-S batteries, this study focuses on the utilization of transition metal (TM)-embedded vanadium disulfide (VS2) materials as cathode catalysts. Using density functional theory (DFT), comprehensive calculations and atomic-level screening of ten TM atoms were conducted to understand the underlying mechanisms and explore the potential of TM@VS2 catalysts for enhancing battery performance. The computational results indicate that five selected catalysts possess sufficient bonding strength towards high-order lithium polysulfide intermediates by the formation of a significant covalent bond between S atoms in Li2Sn and TM atoms, thereby effectively suppressing the shuttle effect. The Ni@VS2 catalyst can effectively decrease the decomposition energy barrier of Li2S in the charge reaction and can have an optimal Gibbs free energy at the rate-determining step among TM@VS2 catalysts for the discharge reaction. This study elucidates the mechanism of VS2-based transition-metal single-atom catalysts and provides an effective reference for the anchoring of TM atoms on other materials.

19.
Environ Res ; 241: 117639, 2024 Jan 15.
Artículo en Inglés | MEDLINE | ID: mdl-37972811

RESUMEN

In this study, CuFe2O4/CuS composite photocatalysts were successfully synthesized for the activation of peroxynomosulfate to remove ciprofloxacin from wastewater. The structural composition and morphology of the materials were analyzed by XRD, SEM, TEM, and Raman spectroscopy. The electrochemical properties of the samples were tested by an electrochemical workstation. The band gap of the samples was calculated by DFT and compared with the experimental values. The effects of different catalysts, oxidant PMS concentrations, and coexisting ions on the experiments were investigated. The reusability and stability of the photocatalysts were also investigated. The mechanism of the photocatalytic degradation process was proposed based on the free radical trapping experiment. The results show that the p-p heterojunction formed between the two contact surfaces of the CuFe2O4 nanoparticle and CuS promoted the charge transfer between the interfaces and inhibited the recombination of electrons and holes. CuFe2O4-5/CuS photocatalyst has the best catalytic activity, and the removal rate of ciprofloxacin is 93.7%. The intermediates in the degradation process were tested by liquid chromatography-mass spectrometry (LC-MS), and the molecular structure characteristics of ciprofloxacin were analyzed by combining with DFT calculations. The possible degradation pathways of pollutants were proposed. This study reveals the great potential of the photocatalyst CuFe2O4/CuS in the activation of PMS for the degradation of ciprofloxacin wastewater.


Asunto(s)
Aguas Residuales , Contaminantes Químicos del Agua , Peróxidos/química , Ciprofloxacina , Contaminantes Químicos del Agua/química , Oxidantes
20.
IEEE Trans Neural Netw Learn Syst ; 35(3): 3312-3324, 2024 Mar.
Artículo en Inglés | MEDLINE | ID: mdl-37204957

RESUMEN

This article proposes a novel reinforcement learning-based model predictive control (RLMPC) scheme for discrete-time systems. The scheme integrates model predictive control (MPC) and reinforcement learning (RL) through policy iteration (PI), where MPC is a policy generator and the RL technique is employed to evaluate the policy. Then the obtained value function is taken as the terminal cost of MPC, thus improving the generated policy. The advantage of doing so is that it rules out the need for the offline design paradigm of the terminal cost, the auxiliary controller, and the terminal constraint in traditional MPC. Moreover, RLMPC proposed in this article enables a more flexible choice of prediction horizon due to the elimination of the terminal constraint, which has great potential in reducing the computational burden. We provide a rigorous analysis of the convergence, feasibility, and stability properties of RLMPC. Simulation results show that RLMPC achieves nearly the same performance as traditional MPC in the control of linear systems and exhibits superiority over traditional MPC for nonlinear ones.

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