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Graph neural networks (GNNs) have drawn more and more attention from material scientists and demonstrated a strong capacity to establish connections between structures and properties. However, with only unrelaxed structures provided as input, few GNN models can predict the thermodynamic properties of relaxed configurations with an acceptable level of error. In this work, a multi‐task (MT) architecture based on DimeNet++ and mixture density networks is developed to improve the performance of such task. Taking CO adsorption on Cu‐based single‐atom alloy catalysts as an example, the method can reliably predict CO adsorption energy with a mean absolute error of 0.087 eV from the initial CO adsorption structures without costly first‐principles calculations. Compared to other state‐of‐the‐art GNN methods, the model exhibits improved generalization ability when predicting the catalytic performance of out‐of‐distribution configurations, built with either unseen substrate surfaces or doping species. Further, the enhancement of expressivity has also been demonstrated on the IS2RE predicting task in the Open Catalyst 2020 project. The proposed MT GNN strategy can facilitate the catalyst discovery and optimization process. [ABSTRACT FROM AUTHOR]

All‐optical neural networks have advantages in higher throughput, higher speed as well as lower energy consumption compared to electrical neural networks. Optical neural networks have already shown great potential in various applications; however, the operation speed of the network is limited by the 2D detector as most optical neural networks rely on space to space projection. Here, a space to time projection approach to build diffractive deep neural network (D2NN) is proposed, which can project spatial intensity distribution into time‐domain intensity variation, thus bypassing the detection speed limit of 2D imaging device. Based on this scheme, high‐speed all‐optical logic gates are theoretically analyzed and experimentally realized. In this case, the network's operation speed is only limited by the photodetector (PD), which can reach GHz levels. Moreover, the method will show great advantage when it comes to wavelengths where 2D detectors are not achievable easily such as infrared, terahertz or microwaves. [ABSTRACT FROM AUTHOR]

Glioma is one of the most lethal tumours and common malignant in the central nervous system (CNS), which exhibits diffuse invasion and aggressive growth. Several studies have reported the association of FDPS to tumour development and progression. However, the role of FDPS in progression of glioma and macrophage recruitment is not well‐elucidated. In the current study, a remarkable enhancement in FDPS level was observed in glioma tissues and associated with poor prognosis, contributed to tumour growth. FDPS was correlated with macrophage infiltration in glioma and pharmacological deletion of macrophages largely abrogated the oncogenic functions of FDPS in glioma. Mechanistically, FDPS activated Wnt/β‐catenin signalling pathway and ultimately facilitates macrophage infiltration by inducing CCL20 expression. In conclusion, overexpressed FDPS exhibits an immunomodulatory role in glioma. Therefore, targeting FDPS may be an effective therapeutic strategy for glioma. [ABSTRACT FROM AUTHOR]

This experiment was conducted to evaluate the effects of astragalus polysaccharides (Aps) and ginseng polysaccharide (Gps) on growth performance, liver function, immune function, TLR4 signalling pathways and intestinal barrier in weaned piglets challenged with lipopolysaccharide (LPS). In an experiment spanning 28 days, 180 weaned piglets were randomly divided into three treatment groups: basal diet (Con), basal diet supplemented with 800 mg/kg Gps (Gps) and basal diet supplemented with 800 mg/kg Aps (Aps). At the end of the experiment, 12 piglets of each group were selected; half (n = 6) were intraperitoneally injected with LPS and half with normal saline. Dietary supplementation with Aps and Gps significantly increased (p <.05) the average daily gain and feed conversion rate. Lipopolysaccharide challenge increased (p <.05) expression of serum urea nitrogen (BUN), alanine aminotransferase (ALT), aspartate aminotransferase (AST), interleukin‐1β (IL‐1β) and tumour inflammatory factor‐α (TNF‐α), but decreased (p <.05) serum superoxide dismutase (SOD) level, total antioxidant capacity (T‐AOC) and immunoglobulin A (IgA) expression. Lipopolysaccharide‐challenged piglets fed with Aps or Gps had lower (p <.05) BUN, ALT, AST, IL‐1β and TNF‐α levels and greater (p <.05) SOD, T‐AOC and IgA levels. Lipopolysaccharide challenge increased (p <.05) the expression of TLR4, MyD88 and NF‐κB, and LPS‐challenged piglets fed diets supplemented with Aps or Gps increased TLR4 and MyD88 and decreased NF‐κB expression. Lipopolysaccharide challenge reduced (p <.05) the jejunal villus height, and piglets fed with Aps or Gps had increased (p <.05) jejunal villus height. Supplementation with Aps or Gps enhanced the expression of occludin and claudin in challenged or unchallenged piglets. In conclusion, dietary supplementation with Aps or Gps enhanced piglet growth performance, alleviated liver dysfunction and reduced immunological stress caused by LPS, as well as increased the intestinal barrier function. [ABSTRACT FROM AUTHOR]

Drug resistance is one of the major obstacles in glioblastoma (GBM) treatments using temozolomide (TMZ) based conventional chemotherapy. Recent studies revealed that Hexokinase 2 (HK2)‐mediated glycolysis is one of the sources, as the association of chemoresistance and the expression of HK2 was confirmed in multiple cancers. However, there has been little knowledge of the functional contribution of HK2 to TMZ resistance in GBM. In our study, we found that HK2 expression is crucial for GBM proliferation and chemoresistance. In contrast to the healthy brain, HK2 expression is much higher in human GBM, especially in those patients with GBM recurrence. High HK2 expression is negatively related to the overall survival in GBM patients. HK2 depletion in GBM cells suppressed the GBM cell proliferation and increased sensitivity to TMZ‐induced apoptosis. Both HK2‐mediated glycolysis and mitochondria permeability transition pore opening (MPTP) were associated with its function in chemoresistance. Furthermore, we also revealed that the abnormal expression of HK2 was modulated by the expression of HOTAIR, a long non‐coding RNA (lncRNA). The absence of HOTAIR in GBM cells suppressed the HK2 expression in protein and mRNA level and, therefore, inhibited the cell proliferation and enhanced the cytotoxicity of TMZ both in vivo and in vitro. HOTAIR promoted the expression of HK2 by targeting mir‐125, which suppressed the GBM cell proliferation and increased the TMZ‐induced apoptosis. These findings shed light on a new therapeutic strategy in modulating HOTAIR/miR‐125, which may interfere with the expression of HK2, and enhance the therapeutic sensitivity of GBM to TMZ. [ABSTRACT FROM AUTHOR]

The prognosis of glioma is generally poor and is the cause of primary malignancy in the brain. The role of microRNAs has been implicated in tumour inhibition or activation. In several cancers, the Six1 signalling pathway has been found to be aberrant and also relates to the formation of tumours. We analysed the database for expression profiles and clinical specimens of various grades of glioma to assess microRNA‐155‐3p (miR‐155‐3p) expression. The role of miR‐155‐3p in glioblastoma, cell cycle, proliferation, apoptosis and resistance to temozolomide was assessed in vitro through flow cytometry and cell proliferation assays. Bioinformatics analyses, and assays using luciferase reporter, and immunoblotting revealed that miR‐155‐3p targets Six1 and that the relationship between glioma and healthy brain tissues was significantly inverse. In rescue experiments, overexpressed Six1 revoked the changes in cell cycle distribution, proliferation and resistance to temozolomide estimated by apoptosis induced by overexpressed miR‐155‐3p. MiR‐155‐3p inhibition reduced glioma cell growth and proliferation in the brain of a mouse model and increased the survival of mice with gliomas. Thus, miR‐155‐3p modulates Six1 expression and facilitates the progression of glioblastoma and resistance to temozolomide and may act as a novel diagnostic biomarker and a target for glioma treatment. [ABSTRACT FROM AUTHOR]