56016 research outputs found
Sort by
Machine-learning-based prediction and optimization of emerging contaminants' adsorption capacity on biochar materials
Biochar materials have recently received considerable recognition as eco-friendly and cost-effective adsorbents capable of effectively removing hazardous emerging contaminants (e.g., pharmaceuticals, herbicides, and fun-gicides) to aquatic organisms and human health accumulated in aquatic ecosystems. In this study, ten tree-based machine learning (ML) models, including bagging, CatBoost, ExtraTrees, HistGradientBoosting, XGBoost, Gra-dientBoosting, DecisionTree, Random Forest, Light gradient Boosting, and KNearest Neighbors, have been built to accurately predict the adsorption capacity of biochar materials toward ECs in aqueous solutions. A very large data set with 3,757 data points was generated using 24 input variables (i.e., pyrolysis conditions for biochar production (3 features), biochar characteristics (3 features), biochar compositions (6 features), and adsorption experimental conditions (12 features)) obtained from the batch adsorption experiments to remove 12 kinds of ECs using 18 different biochar materials. The rigorous evaluation and comparison of the ML model performances shows that CatBoost model had the highest test coefficient of determination (0.9433) and lowest mean absolute error (4.95 mg/g), outperformed clearly all other models. The feature importance analyzed by the shapley ad-ditive explanations (SHAP) indicated that the adsorption experimental conditions provided the highest impact on the model prediction for adsorption capacity (41 %) followed by the adsorbent composition (35 %), adsorbent characterization (20 %), and synthesis conditions (3)%). The optimized experimental conditions predicted by the modeling were a N/C ratio of 0.017, BET surface area of 1040 m(2)/g, content of C(%) contents of 82.1 %, pore volume of 0.46 cm(3)/g, initial ECs concentration of 100 mg/L, type of pollutant (CAR), adsorption type (Single) and adsorption contact time (720 min)
A heterozygous mutation in UBE2H in a patient with developmental delay leads to an aberrant brain development in zebrafish
BackgroundUbiquitin-related rare diseases are generally characterized by developmental delays and mental retardation, but the exact incidence or prevalence is not yet fully understood. The clinical application of next-generation sequencing for pediatric seizures and developmental delay of unknown causes has become common in studies aimed at identification of a causal gene in patients with ubiquitin-related rare diseases that cannot be diagnosed using conventional fluorescence in situ hybridization or chromosome microarray tests. Our study aimed to investigate the effects of ubiquitin-proteasome system on ultra-rare neurodevelopmental diseases, through functional identification of candidate genes and variants.MethodsIn our present work, we carried out genome analysis of a patient with clinical phenotypes of developmental delay and intractable convulsion, to identify causal mutations. Further characterization of the candidate gene was performed using zebrafish, through gene knockdown approaches. Transcriptomic analysis using whole embryos of zebrafish knockdown morphants and additional functional studies identified downstream pathways of the candidate gene affecting neurogenesis.ResultsThrough trio-based whole-genome sequencing analysis, we identified a de novo missense variant of the ubiquitin system-related gene UBE2H (c.449C>T; p.Thr150Met) in the proband. Using zebrafish, we found that Ube2h is required for normal brain development. Differential gene expression analysis revealed activation of the ATM-p53 signaling pathway in the absence of Ube2h. Moreover, depletion of ube2h led to induction of apoptosis, specifically in the differentiated neural cells. Finally, we found that a missense mutation in zebrafish, ube2h (c.449C>T; p.Thr150Met), which mimics a variant identified in a patient with neurodevelopmental defects, causes aberrant Ube2h function in zebrafish embryos.ConclusionA de novo heterozygous variant in the UBE2H c.449C>T (p.Thr150Met) has been identified in a pediatric patient with global developmental delay and UBE2H is essential for normal neurogenesis in the brain
Terpolymers Containing Difluorobenzoxadiazole Enable Suppressed Energy Losses and Optimal Batch-to-Batch Reproducibility for High-Efficiency Organics Solar Cells
Developing high-performance polymer donors is of great importance to further improve the photovoltaic performances of organic solar cells (OSCs). However, most polymer donors suffer from mismatching energy levels and poor batch-to-batch reproducibility, which hinder the further enhancement of device performance and their potential in a commercial application. Constructing random terpolymers with a third monomer is considered a practical way to solve these problems. Herein, the 5,6-difluorobenzo[c][1,2,5]oxadiazole (ffBX) unit is incorporated into the skeleton of PBDB-TF as the third comonomer to construct random terpolymers. The terpolymers exhibit downshifted the highest occupied molecular orbital energy levels than PBDB-TF, which is beneficial for obtaining higher open-circuit voltage and lower energy loss of the OSCs. The OSCs based on PBFBX20:Y6-BO demonstrate high power conversion efficiency of 17.5%. Moreover, PBFBX20 exhibits excellent batch-to-batch reproducibility. Five polymer batches with molecular weights ranging from 20.0 to 54.0 kDa produced very similar PCEs. This work demonstrates the bright future of ffBX-contained terpolymers in realizing high-performance OSCs and further applying in the OSCs community
Regulating the growth of WO3 thin films using ammonium acetate as structure directing agent
The optimization of morphology and structure of tungsten trioxide (WO3) needs to be performed to target some specific applications. In fields such as electrochromics and sensing, the study of electrochemical reaction kinetics is important as it defines the rate of reaction occurring on the WO3 surface. In the present study, WO3 thin films are grown on fluorine-doped tin oxide (FTO) glass by in-situ hydrothermal technique. To regulate the growth of the WO3 layer employing the hydrothermal method, ammonium acetate has been used as a capping agent (CA) and its molar ratio for tungsten, i.e., CA/W, was varied from 0 to 6. Cyclic voltammetry (CV) revealed that the thin film prepared with CA/W of 4 has improved Li+ ions intercalation/deintercalation which leads to fast reaction kinetics. Better electrochemical reaction kinetics in WO3 thin film with a CA/W ratio of 4 compared with the samples having CA/W of 0 and 2 is ascribed to its improved morphology and phase. X-ray diffraction and scanning electron microscopy analysis showed negligible thin film growth with a CA/W ratio of 6. Overall, WO3 thin film with a CA/W ratio of 4 showed excellent performance, making it a good candidate for electrochromics or other related applications
Lactate oxidase/vSIRP?? conjugates efficiently consume tumor-produced lactates and locally produce tumor-necrotic H2O2 to suppress tumor growth
Aggressive tumor formation often leads to excessive anaerobic glycolysis and massive production and accumu-lation of lactate in the tumor microenvironment (TME). To significantly curb lactate accumulation in TME, in this study, lactate oxidase (LOX) was used as a potential therapeutic enzyme and signal regulatory protein alpha variant (vSIRP alpha) as a tumor cell targeting ligand. SpyCatcher protein and SpyTag peptide were genetically fused to LOX and vSIRP alpha, respectively, to form SC-LOX and ST-vSIRP alpha and tumor-targeting LOX/vSIRP alpha conjugates were constructed via a SpyCatcher/SpyTag protein ligation system. LOX/vSIRP alpha conjugates selectively bound to the CD47-overexpressing mouse melanoma B16-F10 cells and effectively consumed lactate produced by the B16-F10 cells, generating adequate amounts of hydrogen peroxide (H2O2), which induces drastic necrotic tumor cell death. Local treatments of B16-F10 tumor-bearing mice with LOX/vSIRP alpha conjugates significantly suppressed B16-F10 tumor growth in vivo without any severe side effects. Tumor-targeting vSIRP alpha may allow longer retention of LOX in tumor sites, effectively consuming surrounding lactate in TME and locally generating adequate amounts of cytotoxic H2O2 to suppress tumor growth. The approach restraining the local lactate concentration and H2O2 in TME using LOX and vSIRP alpha could offer new opportunities for developing enzyme/ targeting ligand conjugate-based therapeutic tools for tumor treatment