Alchemical and structural distribution based representation for improved QML

We introduce a representation of any atom in any chemical environment for the generation of efficient quantum machine learning (QML) models of common electronic ground-state properties. The representation is based on scaled distribution functions explicitly accounting for elemental and structural degrees of freedom. Resulting QML models afford very favorable learning curves for properties of out-of-sample systems including organic molecules, non-covalently bonded protein side-chains, (H$_2$O)$_{40}$-clusters, as well as diverse crystals. The elemental components help to lower the learning curves, and, through interpolation across the periodic table, even enable "alchemical extrapolation" to covalent bonding between elements not part of training, as evinced for single, double, and triple bonds among main-group elements

One-Stage Cascade Refinement Networks for Infrared Small Target Detection

Single-frame InfraRed Small Target (SIRST) detection has been a challenging task due to a lack of inherent characteristics, imprecise bounding box regression, a scarcity of real-world datasets, and sensitive localization evaluation. In this paper, we propose a comprehensive solution to these challenges. First, we find that the existing anchor-free label assignment method is prone to mislabeling small targets as background, leading to their omission by detectors. To overcome this issue, we propose an all-scale pseudo-box-based label assignment scheme that relaxes the constraints on scale and decouples the spatial assignment from the size of the ground-truth target. Second, motivated by the structured prior of feature pyramids, we introduce the one-stage cascade refinement network (OSCAR), which uses the high-level head as soft proposals for the low-level refinement head. This allows OSCAR to process the same target in a cascade coarse-to-fine manner. Finally, we present a new research benchmark for infrared small target detection, consisting of the SIRST-V2 dataset of real-world, high-resolution single-frame targets, the normalized contrast evaluation metric, and the DeepInfrared toolkit for detection. We conduct extensive ablation studies to evaluate the components of OSCAR and compare its performance to state-of-the-art model-driven and data-driven methods on the SIRST-V2 benchmark. Our results demonstrate that a top-down cascade refinement framework can improve the accuracy of infrared small target detection without sacrificing efficiency. The DeepInfrared toolkit, dataset, and trained models are available at https://github.com/YimianDai/open-deepinfrared to advance further research in this field.Comment: Submitted to TGR

Genome-Wide Characterization of Endogenous Retroviruses in Bombyx mori Reveals the Relatives and Activity of env Genes

Endogenous retroviruses (ERVs) are retroviral sequences that remain fixed in the host genome, where they could play an important role. Some ERVs have been identified in insects and proven to have infectious properties. However, no information is available regarding Bombyx mori ERVs (BmERVs) to date. Here, we systematically identified 256 potential BmERVs in the silkworm genome via a whole-genome approach. BmERVs were relatively evenly distributed across each of the chromosomes and accounted for about 25% of the silkworm genome. All BmERVs were classified as young ERVs, with insertion times estimated to be less than 10 million years. Seven BmERVs possessing the env genes were identified. With the exception of the Orf133 Helicoverpa armigera nuclear polyhedrosis virus, the env sequences of BmERVs were distantly related to genes encoding F (Fa and Fb) and GP64 proteins from Group I and Group II NPVs. In addition, only the amino acid sequence of the BmERV-21 envelope protein shared a similar putative furin-like cleavage site and fusion peptide with Group II baculoviruses. All of the env genes in the seven BmERVs were verified to exist in the genome and be expressed in the midgut and fat bodies, which suggest that BmERVs might play an important role in the host biology

Specific Functions for ERK/MAPK Signaling during PNS Development

We have established functions of the stimulus dependent MAPKs, ERK1/2 and ERK5 in DRG, motor neuron, and Schwann cell development. Surprisingly, many aspects of early DRG and motor neuron development were found to be ERK1/2 independent and Erk5 deletion had no obvious effect on embryonic PNS. In contrast, Erk1/2 deletion in developing neural crest resulted in peripheral nerves that were devoid of Schwann cell progenitors, and deletion of Erk1/2 in Schwann cell precursors caused disrupted differentiation and marked hypomyelination of axons. The Schwann cell phenotypes are similar to those reported in neuregulin-1 and ErbB mutant mice and neuregulin effects could not be elicited in glial precursors lacking Erk1/2. ERK/MAPK regulation of myelination was specific to Schwann cells, as deletion in oligodendrocyte precursors did not impair myelin formation, but reduced precursor proliferation. Our data suggest a tight linkage between developmental functions of ERK/MAPK signaling and biological actions of specific RTK-activating factors

Synthesis of a Dual Functional Anti-MDR Tumor Agent PH II-7 with Elucidations of Anti-Tumor Effects and Mechanisms

Multidrug resistance mediated by P-glycoprotein in cancer cells has been a major issue that cripples the efficacy of chemotherapy agents. Aimed for improved efficacy against resistant cancer cells, we designed and synthesized 25 oxindole derivatives based on indirubin by structure-activity relationship analysis. The most potent one was named PH II-7, which was effective against 18 cancer cell lines and 5 resistant cell lines in MTT assay. It also significantly inhibited the resistant xenograft tumor growth in mouse model. In cell cycle assay and apoptosis assay conducted with flow cytometry, PH II-7 induced S phase cell cycle arrest and apoptosis even in resistant cells. Consistently revealed by real-time PCR, it modulates the expression of genes related to the cell cycle and apoptosis in these cells, which may contributes to its efficacy against them. By side-chain modification and FITC-labeling of PH II-7, we were able to show with confocal microscopy that not only it was not pumped by P-glycoprotein, it also attenuated the efflux of Adriamycin by P-glycoprotein in MDR tumor cells. Real-time PCR and western blot analysis showed that PH II-7 down-regulated MDR1 gene via protein kinase C alpha (PKCA) pathway, with c-FOS and c-JUN as possible mediators. Taken together, PH II-7 is a dual-functional compound that features both the cytotoxicity against cancer cells and the inhibitory effect on P-gp mediated drug efflux

New Results on Small and Dim Infrared Target Detection

Real-time small infrared (IR) target detection is critical to the performance of the situational awareness system in high-altitude aircraft. However, current IR target detection systems are generally hardware-unfriendly and have difficulty in achieving a robust performance in datasets with clouds occupying a large proportion of the image background. In this paper, we present new results by using an efficient method that extracts the candidate targets in the pre-processing stage and fuses the local scale, blob-based contrast map and gradient map in the detection stage. We also developed mid-wave infrared (MWIR) and long-wave infrared (LWIR) cameras for data collection experiments and algorithm evaluations. Experimental results using both publicly available datasets and image sequences acquired by our cameras clearly demonstrated that the proposed method achieves high detection accuracy with the mean AUC being at least 22.3% higher than comparable methods, and the computational cost beating the other methods by a large margin

Effects of Dissolved Organic Matter on Uptake and Translocation of Lead in Brassica chinensis and Potential Health Risk of Pb

Dissolved organic matter (DOM) can affect the bioavailability of heavy metals in soil, especially in soils used for vegetable production, where intensive organic fertilization is applied. The present study examined the effects of DOM derived from commercial organic fertilizers (COF), cow manure (COM) and chicken manure (CHM), on uptake and translocation of lead (Pb) in Brassica chinensis in a pot experiment. The results indicate that DOM derived from CHM (DOMCHM) significantly increased Pb concentrations in roots of B. chinensis (p < 0.05). By contrast, there was no significant increase in shoot Pb concentration for all the DOM treatments except the high DOMCHM treatment in the soil with 800 mg·kg−1 Pb. Consistent with the Pb concentrations in shoots, translocation factor of Pb from soil to shoot and specific lead uptake (SLU) by B. chinensis were significantly increased for the high DOMCHM treatment in the high Pb soil, but not for other DOM treatments. Based on the results of this study, the application of DOM to the soil with 800 mg·kg−1 Pb could result in an increase in total Pb annually ingested by the inhabitants of Nanjing City in the range of 2018–9640 kg, with the highest estimates resulting from the high DOMCHM treatment. This study suggests the risk may rise under some conditions as indicated in the high DOMCHM treatment and high Pb pollution level

Design of a One-Stop Platform for on-Demand Supply of Biomass Pellet Fuel in China

China is currently rich in biomass resources, and is in a period of energy transition, the development of biomass is the general trend. However, the development of biomass pellet fuel is still immature and faces many obstacles. At this stage, the sales of biomass pellet fuel has problems such as unclear parameters or insufficient coverage. Therefore, it is proposed to build a one-stop platform to promote the development of biomass fuel industry by using modern means to widely collect information on pellet fuel, calculate the reduction potential of pellet fuel, and build an online platform to reduce the information difference. This paper constructs a database by obtaining a large amount of information on biomass fuels through questionnaires, telephone consultations and access to information on websites. Based on the established database, Jupyter was used to analyze the number of fuel types, the provincial contribution, the fuel price distribution and the calorific value distribution. Among them, Guangdong, Shandong, Jiangsu, Hebei and other large grain provinces have the highest contribution of biomass fuels; most of the fuel types are mainly wood fuels, with wood chips, pine and redwood being the main types; the calorific value of fuels is mainly concentrated in the range of 3800-4600kcal/kg; and the price of fuels is mainly concentrated in the range of 600-1000 RMB. In order to reflect the cleanliness of biomass fuels, the article accounts for the carbon emissions of biomass fuel substitutes at different stages of their life cycle, with the aim of providing a reference for users. Eventually a one-stop platform for supply and demand of biomass fuel was established based on a database and carbon accounting methodology. The idea is to import the database into the backend of the WeChat app for retrieval, display it on the front end and sort it according to the user's choice, and give an estimate of emission reductions based on the user's purchase volume and transport distance

Exopolysaccharides from Bifidobacterium animalis Ameliorate Escherichia coli-Induced IPEC-J2 Cell Damage via Inhibiting Apoptosis and Restoring Autophagy

Enteropathogenic Escherichia coli (EPEC) is a common zoonotic pathogen that causes acute infectious diarrhea. Probiotics like Bifidobacterium are known to help prevent pathogen infections. The protective effects of Bifidobacterium are closely associated with its secretory products exopolysaccharides (EPS). We explored the effects of the EPS from Bifidobacterium animalis subsp. lactis (B. lactis) on ameliorating the damage of an intestinal porcine epithelial cell line (IPEC-J2) during EPEC infection. Pretreatment with EPS alleviated EPEC-induced apoptosis through the restoration of cell morphology and the downregulation of protein expressions of cleaved-caspase 8, cleaved-caspase 3, and cleaved-PARP. EPS-mediated remission of apoptosis significantly improved cell viability during EPEC infection. EPEC infection also resulted in impaired autophagy, as demonstrated by decreased expressions of autophagy-related proteins Beclin 1, ATG5, and microtubule-binding protein light chain-3B (LC3B) and the increased expression of p62 through western blot analysis. However, EPS reversed these effects which indicated that EPS promoted autophagosome formation. Furthermore, EPS prevented the lysosome damage induced by EPEC as it enhanced lysosomal acidification and raised lysosome-associated protein levels, thus promoted autophagosome degradation. Our findings suggest that the amelioration of EPEC-induced cell damages by EPS is associated with the limitation of detrimental apoptosis and the promotion of autophagy flux

Correlation in Expression between LTR Retrotransposons and Potential Host <i>Cis</i>-Targets during Infection of Antherea pernyi with ApNPV Baculovirus

The published genome sequence of Antheraea yamamai (Saturnnidae) was used to construct a library of long terminal repeat (LTR)-retrotransposons that is representative of the wild silkmoth (Antherea) genus, and that includes 22,666 solo LTRs and 541 full-length LTRs. The LTR retrotransposons of Antheraea yamamai (AyLTRs) could be classified into the three canonical groups of Gypsy, Copia and Belpao. Eleven AyLTRs contained the env gene element, but the relationship with the env element of baculovirus, particularly A. yamamai and pernyi nucleopolyhedrovirus (AyNPV and ApNPV), was distant. A total of 251 &#8220;independent&#8221; full-length AyLTRs were identified that were located within 100 kb distance (downstream or upstream) of 406 neighboring genes in A. yamamai. Regulation of these genes might occur in cis by the AyLTRs, and the neighboring genes were found to be enriched in GO terms such as &#8220;response to stimulus&#8221;, and KEGG terms such as &#8220;mTOR signaling pathway&#8221; among others. Furthermore, the library of LTR-retrotransposons and the A. yamamai genome were used to identify and analyze the expression of LTR-retrotransposons and genes in ApNPV-infected and non-infected A. pernyi larval midguts, using raw data of a published transcriptome study. Our analysis demonstrates that 93 full-length LTR-retrotransposons are transcribed in the midgut of A. pernyi of which 12 significantly change their expression after ApNPV infection (differentially expressed LTR-retrotransposons or DELs). In addition, the expression of differentially expressed genes (DEGs) and neighboring DELs on the chromosome following ApNPV infection suggests the possibility of regulation of expression of DEGs by DELs through a cis mechanism, which will require experimental verification. When examined in more detail, it was found that genes involved in Notch signaling and stress granule (SG) formation were significantly up-regulated in ApNPV-infected A. pernyi larval midgut. Moreover, several DEGs in the Notch and SG pathways were found to be located in the neighborhood of particular DELs, indicating the possibility of DEG-DEL cross-regulation in cis for these two pathways