Background. Astragalus membranaceus (AM, family: Leguminosae) exerts significant therapeutic effect on gastric ulcer (GU); however, there are scarce studies on its molecular mechanism against GU. ...This study aims to explore the key ingredients, key targets, and potential mechanisms of AM in the treatment of GU by utilizing network pharmacology and molecular docking. Methods. Several public databases were used to predict the targets of AM and GU, respectively, and the drug and disease targets were intersected to obtain the common targets. Next, the key ingredients and key targets were identified by constructing ingredient-target network and protein-protein-interaction (PPI) network. Gene Ontology biological processes (GOBP) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were carried out on the common targets in order to ascertain the biological processes and signaling pathways involved. Finally, molecular docking was conducted to verify the binding affinity between the key ingredients and key targets. Results. A total of 552 predicted targets were obtained from 23 screened active ingredients, of which 203 targets were the common targets with GU. Quercetin, kaempferol, and isorhamnetin were identified as the key ingredients by constructing ingredient-target network, and TP53, AKT1, VEGFA, IL6, TNF, CASP3, and EGFR were selected as the key targets by constructing PPI network. GOBP and KEGG pathway enrichment analysis suggested that the therapeutic effect of AM on GU involved multiple biological processes and signaling pathways related to inflammation, oxidative stress, apoptosis, cell proliferation, and angiogenesis. Molecular docking validation demonstrated that all key ingredients had good binding affinity with the key targets. Conclusion. This study revealed the key ingredients, key targets, and potential mechanisms of AM against GU, and these data may provide some crucial references for subsequent research and development of drugs for treating GU.
The streamflow process is an crucial information resource for the joint optimal operation of reservoirs. As the length and representativeness of historical streamflow samples are insufficient for ...practice projects, streamflow stochastic generation approaches are usually used to expand the streamflow series. For the joint operation and management of the multi-reservoir system, the multisite streamflow stochastic generation (MSSG) with high-dimensional temporal-spatial correlation poses a challenge. This paper develops the generative adversarial network as a novel MSSG model. In contrast to the existing literature on MSSG, which solely focuses on a specific case study and provides a comparatively one-sided assessment, this paper evaluates multiple characteristics of streamflow at various time scales from three MSSG models in two instances. Specifically, three MSSG models, namely the seasonal autoregression (SAR) model coupled with the master station method, the Copula model coupled with the master station method, and the deep convolutions generative adversarial network (DCGAN) model, are employed to generate monthly, ten-daily, and daily streamflow series of the two-reservoir and eight-reservoir systems. This study aims to examine the performance of three models and provide recommendations for implementing MSSG approaches in practice. Results show that: (1) the priority should be given to the maximum iterations on the DCGAN model at a large time scale, while at a smaller time scale, the training of the model is directly linked to the setting of batch size; (2) the Copula model is capable for better retaining statistical characteristics of streamflow series for similarity; (3) the SAR model excels in simulating the extremes of streamflow; and (4) the DCGAN model possesses a significant advantage in capturing the temporal-spatial higher-order correlation, especially in systems comprising more than two reservoirs and with small time scales (e.g., daily streamflow). Furthermore, this study presents comprehensive and multi-scale recommendations for selecting MSSG approaches, thereby providing a theoretical foundation and practical value for MSSG in diverse scenarios.
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•W deposits in South China are classified into 8 types, based on the relationships to the causative granitoids.•Three W metallogenic belts are outlined as NLB, EYB, and SCB, ...controlling by the deep geodynamic progress from Triassic to Cretaceous.•Model for Mesozoic W mineralization in South China and model of granitoid-related W deposits are established.
South China hosts more than 80% W reserves of China and about 50% of the world, with thousands of world-class W deposits of various types. Recently, more and more giant W deposits have been discovered in both the Nanling region to the south and the Yangtze River region to the north, such as the Zhuxi, Dahutang, Pangushan, and Taoxikeng deposits. In this paper, based on previous publications and new exploration results of the W deposits in South China, the majority of such deposits are reviewed, and are divided into 8 types: quartz-vein, skarn, greisen, porphyry, granite veinlet-disseminated, fractural-hydrothermal, stratabound, and weathering-placer types. Those deposits are closely related to the widely-distributed granitoids. These ore-bearing granitoids typically belong to S-type or highly-fractionated I-type metaluminous-peraluminous calc-alkaline granitic magma series. The magma fractionation degrees are generally increased from those associated with skarn-type W deposits to those with veinlet-disseminated deposits. Crust materials played a key role in the formation of these W-mineralized granites, and also contributed to the various associated metals, such as W-Cu, W-Sn, W-Bi, W-Mo, and W-Be.
According to the temporal-spatial association of W deposits with tectono-thermal events in South China, three metallogenic belts can be outlined for future exploration: Nanling W metallogenic Belt (NLB) (170–150 Ma), Eastern Yangtze W metallogenic Belt (EYB) (150–120 Ma), and Southeast Coast W metallogenic Belt (SCB) (120–80 Ma). According to the deep crustal structure features of these W metallogenic belts combined with characteristics of different W mineralization types, a generic model is proposed for the formation of the Mesozoic W deposits in South China. During the Mesozoic, from the southeast coast to the inland, the South China block experienced the west-toward subduction, retreating and conversion of the paleo-Pacific plate. Furthermore, deep faults in different areas enhance the local crust-mantle interaction, and W deposits types and temporal-spatial distribution of Mesozoic W deposits in different belts have good correspondence to the deep processes.
Recently, the prevalence of macrolide-resistant Moraxella catarrhalis has been reported, especially among Chinese children. The fitness cost of resistance is reported to render the resistant bacteria ...less virulent. To investigate the correlation between macrolide susceptibility of M. catarrhalis and pathogenicity, the whole genome of 70 M. catarrhalis isolates belonging to four clonal complexes with different macrolide susceptibilities was sequenced. The gene products were annotated with the Gene Ontology terms. Based on 46 extracted essential virulence genes, 19 representative isolates were selected to infect type II alveolar cells (A549 cells). The ability of these isolates to adhere and invade human epithelial cells and to produce cytokines was comparatively analysed. Furthermore, mice were infected with a pair of M. catarrhalis isolates with different pathogenic behaviours and macrolide susceptibilities to examine pulmonary clearance, histological findings, and the production of cytokines. The percentages of annotations for binding, metabolic process, cellular process, and cell were non-significantly different between the macrolide-resistant and macrolide-susceptible groups. The presence of uspA2, uspA2H, pilO, lbpB, lex1, modM, mboIA, and mboIB significantly differed among the four clonal complexes and macrolide susceptibility groups. Furthermore, compared with those in macrolide-susceptible isolates, the adhesion ability was stronger (P = 0.0019) and the invasion ability was weaker (P < 0.0001) in the macrolide-resistant isolates. Mouse experiments revealed that pulmonary macrophages elicit immune responses against M. catarrhalis infection by significantly upregulating the Csf2, Il4, Il13, Il1b, Il6, Tnf, and Il18. Therefore, M. catarrhalis populations exhibited diverse pathogenicity in vitro and in vivo.
Hepatitis B virus (HBV)-related hepatocellular carcinoma (HCC) remains a major public health problem and its pathogenesis remains unresolved. A recent proteomics study discovered a lipid enzyme ...Sterol O-acyltransferase (SOAT1) involvement in the progression of HCC. We aimed to explore the association between SOAT1 genetic variation and HCC.
We genotyped three exonic SOAT1 variants (rs10753191, V323V; rs3753526, L475L; rs13306731, Q526R) tagging most variations in the gene, in 221 HCC patients and 229 healthy individuals, to assess the impact of SOAT1 gene variation on risk of HCC occurrence. We further conducted immunohistochemistry to compare SOAT1 protein expression levels in 42 paired tumor and adjacent non-tumor tissues.
We found that rs10753191 (Odds ratio (OR) = 0.58, P = 0.04) and a haplotype TGA (OR = 0.40, P = 0.01) were associated with reduced HCC risk after adjusting for lipid levels. In the immunohistochemistry experiment, we found that the protein expression of SOAT1 was significantly increased in the tumor compared with adjacent tissue (P < 0.001).
This study revealed for the first time SOAT1 genetic variation that associates with host susceptibility to HCC occurrence. Our results suggest a role of SOAT1 in the HCC development, which warrants further elucidation.
While heteroatom doping serves as a powerful strategy for devising novel polycyclic aromatic hydrocarbons (PAHs), the further fine-tuning of optoelectronic properties via the precisely altering of ...doping patterns remains a challenge. Herein, by changing the doping positions of heteroatoms in a diindenopyrene skeleton, we report two isomeric boron, sulfur-embedded PAHs, named Anti-B2S2 and Syn-B2S2, as electron transporting semiconductors. Detailed structure-property relationship studies revealed that the varied heteroatom positions not only change their physicochemical properties, but also largely affect their solid-state packing modes and Lewis base-triggered photophysical responses. With their low-lying frontier molecular orbital levels, n-type characteristics with electron mobilities up to 1.5 × 10−3 cm2 V−1 s−1 were achieved in solution-processed organic field-effect transistors. Our work revealed the critical role of controlling heteroatom doping patterns for designing advanced PAHs.
Two isomeric boron, sulfur-embedded polycyclic aromatic hydrocarbons were prepared and showed distinct heteroatom doping pattern-depedent physicochemcial and optoelectronic properties. Display omitted
The interface between 2D topological Dirac states and an s-wave superconductor is expected to support Majorana-bound states (MBS) that can be used for quantum computing applications. Realizing these ...novel states of matter and their applications requires control over superconductivity and spin-orbit coupling to achieve spin-momentum-locked topological interface states (TIS) which are simultaneously superconducting. While signatures of MBS have been observed in the magnetic vortex cores of bulk FeTe
Se
, inhomogeneity and disorder from doping make these signatures unclear and inconsistent between vortices. Here superconductivity is reported in monolayer (ML) FeTe
Se
(Fe(Te,Se)) grown on Bi
Te
by molecular beam epitaxy (MBE). Spin and angle-resolved photoemission spectroscopy (SARPES) directly resolve the interfacial spin and electronic structure of Fe(Te,Se)/Bi
Te
heterostructures. For y = 0.25, the Fe(Te,Se) electronic structure is found to overlap with the Bi
Te
TIS and the desired spin-momentum locking is not observed. In contrast, for y = 0.1, reduced inhomogeneity measured by scanning tunneling microscopy (STM) and a smaller Fe(Te,Se) Fermi surface with clear spin-momentum locking in the topological states are found. Hence, it is demonstrated that the Fe(Te,Se)/Bi
Te
system is a highly tunable platform for realizing MBS where reduced doping can improve characteristics important for Majorana interrogation and potential applications.
A (two-dimensional) 2D graphical representation of protein sequences based on six physicochemical properties of amino acids is outlined. The numerical characterization of protein graphs is given as ...descriptors of protein sequences. It is not only useful for comparative study of proteins but also for encoding innate information about the structure of proteins. The coefficient of determination is proposed as a new similarity/dissimilarity measure. Finally, a simple example is taken to highlight the behavior of the new similarity/dissimilarity measure on protein sequences taken from the ND6 (NADH dehydrogenase subunit 6) proteins for eight different species. The results demonstrate the approach is convenient, fast, and efficient.
In this paper, a dynamic 3-D graphical representation of protein sequences is introduced based on three physical–chemical properties of amino acids. The coordinates of the graph have direct ...biological significance, which could reflect the innate structure of the proteins. The information of principal moments of inertia and range of axis coordinate are extracted as a novel mixed descriptor and proposed for the comparison of protein primary sequences. Meanwhile, the Euclidean distance of the normalized descriptor vectors which avoid the influence of the difference in length of protein sequences under consideration is employed as a quantitative measurement of the similarity of proteins. Finally, we take the nine ND5 (NADH dehydrogenase subunit 5) proteins for example and illustrate the effectiveness of our approach.
•We have proposed a 3-D graphical representation of protein sequences based on three physical–chemical properties of amino acids.•We outlined a mixed graph descriptor method for the comparison of protein sequences.•The comparison results show the effectiveness of our approach.
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