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1.
Environ Res ; 217: 114847, 2023 01 15.
Artículo en Inglés | MEDLINE | ID: mdl-36402183

RESUMEN

Microorganisms play critical ecological roles in the global biogeochemical cycles. However, extensive information on the microbial communities in Qinghai-Tibet Plateau (QTP), which is the highest plateau in the world, is still lacking, particularly in high elevation locations above 4500 m. Here, we performed a survey of th e soil and water microbial communities in Bamucuo Lake, Tibet, by using shotgun metagenomic methods. In the soil and water samples, we reconstructed 75 almost complete metagenomic assembly genomes, and 74 of the metagenomic assembly genomes from the water sample represented novel species. Proteobacteria and Actinobacteria were found to be the dominant bacterial phyla, while Euryarchaeota was the dominant archaeal phylum. The largest virus, Pandoravirus salinus, was found in the soil microbial community. We concluded that the microorganisms in Bamucuo Lake are most likely to fix carbon mainly through the 3-hydroxypropionic bi-cycle pathway. This study, for the first time, characterized the microbial community composition and metabolic capacity in QTP high-elevation locations with 4555 m, confirming that QTP is a vast and valuable resource pool, in which many microorganisms can be used to develop new bioactive substances and new antibiotics to which pathogenic microorganisms have not yet developed resistance.


Asunto(s)
Lagos , Microbiota , Tibet , Bacterias/genética , Bacterias/metabolismo , Microbiología del Suelo , Suelo , Agua
2.
Molecules ; 28(5)2023 Mar 01.
Artículo en Inglés | MEDLINE | ID: mdl-36903531

RESUMEN

The subcellular localization of messenger RNA (mRNA) precisely controls where protein products are synthesized and where they function. However, obtaining an mRNA's subcellular localization through wet-lab experiments is time-consuming and expensive, and many existing mRNA subcellular localization prediction algorithms need to be improved. In this study, a deep neural network-based eukaryotic mRNA subcellular location prediction method, DeepmRNALoc, was proposed, utilizing a two-stage feature extraction strategy that featured bimodal information splitting and fusing for the first stage and a VGGNet-like CNN module for the second stage. The five-fold cross-validation accuracies of DeepmRNALoc in the cytoplasm, endoplasmic reticulum, extracellular region, mitochondria, and nucleus were 0.895, 0.594, 0.308, 0.944, and 0.865, respectively, demonstrating that it outperforms existing models and techniques.


Asunto(s)
Aprendizaje Profundo , Eucariontes , Eucariontes/metabolismo , Proteínas/metabolismo , Retículo Endoplásmico/metabolismo , ARN Mensajero , Biología Computacional/métodos
3.
Molecules ; 29(1)2023 Dec 31.
Artículo en Inglés | MEDLINE | ID: mdl-38202808

RESUMEN

Human society is facing the threat of various viruses. Proteases are promising targets for the treatment of viral infections. In this study, we collected and profiled 170 protease sequences from 125 viruses that infect humans. Approximately 73 of them are viral 3-chymotrypsin-like proteases (3CLpro), and 11 are pepsin-like aspartic proteases (PAPs). Their sequences, structures, and substrate characteristics were carefully analyzed to identify their conserved nature for proposing a pan-3CLpro or pan-PAPs inhibitor design strategy. To achieve this, we used computational prediction and modeling methods to predict the binding complex structures for those 73 3CLpro with 4 protease inhibitors of SARS-CoV-2 and 11 protease inhibitors of HCV. Similarly, the complex structures for the 11 viral PAPs with 9 protease inhibitors of HIV were also obtained. The binding affinities between these compounds and proteins were also evaluated to assess their pan-protease inhibition via MM-GBSA. Based on the drugs targeting viral 3CLpro and PAPs, repositioning of the active compounds identified several potential uses for these drug molecules. As a result, Compounds 1-2, modified based on the structures of Ray1216 and Asunaprevir, indicate potential inhibition of DENV protease according to our computational simulation results. These studies offer ideas and insights for future research in the design of broad-spectrum antiviral drugs.


Asunto(s)
Péptido Hidrolasas , Proteasas Virales , Humanos , Ácido Aspártico Endopeptidasas , Computadores , Inhibidores de Proteasas/farmacología , Antivirales/farmacología
4.
J Med Virol ; 94(1): 310-317, 2022 01.
Artículo en Inglés | MEDLINE | ID: mdl-34506640

RESUMEN

SARS-CoV-2 is a newly discovered beta coronavirus at the end of 2019, which is highly pathogenic and poses a serious threat to human health. In this paper, 1875 SARS-CoV-2 whole genome sequences and the sequence coding spike protein (S gene) sampled from the United States were used for bioinformatics analysis to study the molecular evolutionary characteristics of its genome and spike protein. The MCMC method was used to calculate the evolution rate of the whole genome sequence and the nucleotide mutation rate of the S gene. The results showed that the nucleotide mutation rate of the whole genome was 6.677 × 10-4 substitution per site per year, and the nucleotide mutation rate of the S gene was 8.066 × 10-4 substitution per site per year, which was at a medium level compared with other RNA viruses. Our findings confirmed the scientific hypothesis that the rate of evolution of the virus gradually decreases over time. We also found 13 statistically significant positive selection sites in the SARS-CoV-2 genome. In addition, the results showed that there were 101 nonsynonymous mutation sites in the amino acid sequence of S protein, including seven putative harmful mutation sites. This paper has preliminarily clarified the evolutionary characteristics of SARS-CoV-2 in the United States, providing a scientific basis for future surveillance and prevention of virus variants.


Asunto(s)
COVID-19/epidemiología , Evolución Molecular , Genoma Viral/genética , SARS-CoV-2/genética , Glicoproteína de la Espiga del Coronavirus/genética , Secuencia de Aminoácidos/genética , COVID-19/patología , Biología Computacional , Humanos , Tasa de Mutación , Estados Unidos/epidemiología , Secuenciación Completa del Genoma
5.
Langmuir ; 38(49): 15353-15360, 2022 Dec 13.
Artículo en Inglés | MEDLINE | ID: mdl-36454949

RESUMEN

The wetting property of a solid surface has been a hotspot for centuries, and many studies suggest that the hydrophobicity is highly related to the polar components. However, the underlying mechanism of polar moieties on the hydrophobicity remains unclear. Here, we tailor the surface polar moieties of epoxy resin (EP) by ozone modification and assess their wetting properties. Our results show that, for the modified EP with more (60.54%) polar moieties, the polar effect on hydrophobicity cannot be empirically observed. To reveal the underlying mechanism, the absorption parameters, including equilibrium distance, adsorption radius, and effective adsorption sites for water on EP before and after ozone treatment, are calculated on the basis of molecular simulations. After ozone modification, the equilibrium distance (from 1.95 to 1.70 Å), adsorption radius (from 3.80 to 4.50 Å), and effective adsorption sites (from 1 to 2) change slightly and the EP surface remains hydrophobic, although the polar groups significantly increase. Therefore, it is concluded that the wetting properties of solid surfaces are dominated by the equilibrium distance, adsorption radius, and effective adsorption sites for water on solids, and the nonlinear relationship between polar groups and hydrophilicity is clarified.

6.
Tumour Biol ; 39(10): 1010428317718192, 2017 Oct.
Artículo en Inglés | MEDLINE | ID: mdl-29034777

RESUMEN

Gallbladder carcinoma is the most common and aggressive malignancy of the biliary tree and highly expresses CD147, which is closely related to disease prognosis in a variety of human cancers. Doxycycline exhibited anti-tumor properties in many cancer cells. CD147 antagonist peptide-9 is a polypeptide and can specifically bind to CD147. The effect of these two drugs on gallbladder cancer cells has not been studied. The aim of this study is to investigate the effect of doxycycline and antagonist peptide-9 on gallbladder carcinoma cells and the possible mechanism of inhibition on cancer cell of doxycycline. To investigate the effects of doxycycline and antagonist peptide-9 on gallbladder carcinoma cells (GBC-SD and SGC-996), cell proliferation, CD147 expression, and early-stage apoptosis rate were measured after treated with doxycycline. Matrix metalloproteinase-2 and matrix metalloproteinase-9 activities were measured after treated with different concentrations of doxycycline, antagonist peptide-9, and their combination. The results demonstrated that doxycycline inhibited cell proliferation, reduced CD147 expression level, and induced an early-stage apoptosis response in GBC-SD and SGC-996 cells. The matrix metalloproteinase-2 and matrix metalloproteinase-9 activities were inhibited by antagonist peptide-9 and doxycycline, and the inhibitory effects were enhanced by combined drugs in gallbladder carcinoma cell lines. Taken together, doxycycline showed inhibitory effects on gallbladder carcinoma cell lines and reduced the expression of CD147, and this may be the mechanism by which doxycycline inhibits cancer cells. This study provides new information and tries to implement the design of adjuvant therapy method for gallbladder carcinoma.


Asunto(s)
Basigina/metabolismo , Doxiciclina/farmacología , Neoplasias de la Vesícula Biliar/tratamiento farmacológico , Inhibidores de la Metaloproteinasa de la Matriz/farmacología , Péptidos/farmacología , Apoptosis/efectos de los fármacos , Línea Celular Tumoral , Proliferación Celular/efectos de los fármacos , Neoplasias de la Vesícula Biliar/metabolismo , Humanos , Metaloproteinasa 2 de la Matriz/metabolismo , Metaloproteinasa 9 de la Matriz/metabolismo
7.
Heliyon ; 10(2): e24143, 2024 Jan 30.
Artículo en Inglés | MEDLINE | ID: mdl-38293400

RESUMEN

YOLOv5 is an excellent object-detection model. However, it fails to fully use multiscale information when detecting objects with significant scale variations. It might use irrelevant contextual information, leading to incorrect predictions, particularly for low-performance devices. In this study, we selected lightweight YOLOv5s as the baseline model and proposed an improved model called YOLO-SK to overcome this limitation. YOLO-SK introduced several key improvements, the most important being the collaborative work of the weighted dense feature fusion network and SK attention prediction head. The proposed weighted dense feature fusion network could dynamically fuse features at different scales using autonomous learning parameters and cross-layer fusion capabilities. This enabled a balanced feature fusion ability in the output feature maps of different scales, thereby enhancing the richness of the effective information in the fused feature maps. The prediction head equipped with the SK attention mechanism broadened the scope of the model's receptive field and sharpened the focus on the target characteristics. This made it possible to glean more information about the target from the feature map output by employing a weighted dense feature fusion network. In addition, in order to improve the model's performance in terms of both accuracy and volume, we implemented the SIoU loss function and the Ghost Conv. The use of the model allowed for a more precise and in-depth comprehension of the event, which was made possible by all of these various methods of improvement. Extensive testing done on the PASCAL VOC 2007 and 2012 datasets showed that YOLO-SK was able to achieve considerable gains in prediction accuracy when compared with the baseline model (YOLOv5s), all while keeping the same level of model complexity. To be more specific, mAP@.5 increased by 2.6 %, and mAP@.5:.95 increased by 4.8 %. The advancements that were made and detailed in this paper could serve as a springboard for additional research that aims to improve the precision of multiscale object identification models for low-performance devices.

8.
Huan Jing Ke Xue ; 45(6): 3270-3283, 2024 Jun 08.
Artículo en Zh | MEDLINE | ID: mdl-38897750

RESUMEN

This study aimed to investigate the impact of spatiotemporal changes in land use on ecosystem carbon storage. The study analyzed the spatiotemporal changes in carbon storage in the study area based on land use data from five periods (1985, 1995, 2005, 2015, and 2020) using the InVEST model. The PLUS model was used to predict land use changes in the study area under four different scenarios (natural development, farmland protection, ecological protection, and double protection of farmland and ecology) in 2035, and the ecosystem carbon storage under different scenarios was estimated. The results of the study indicated that the farmland in the area under investigation had been decreasing consistently from 1985 to 2020, with a more rapid rate of change observed between 2015 and 2020. During this period, the overall dynamic attitude towards land use reached 34.62 %. Additionally, the carbon storage in the area showed a decreasing trend over the years, with a decrease of 1.55×105 t from 1985 to 2020. Between 2005 and 2015, the carbon storage showed a decrease of 1.22×105 t, with an average annual decrease of 1.22×104 t. The areas with higher carbon storage were located in the eastern part of the study area, whereas areas with lower carbon storage were found in the central and northwestern parts. Although the proportion of carbon storage in farmland decreased from 66.89 % to 57.73 %, farmland remained the most important carbon pool in the study area. The conversion of other land use types to grassland and forestland was advantageous for increasing ecosystem carbon storage. Finally, the study projected that by 2035, the carbon storage in the natural development scenario, the farmland protection scenario, the ecological protection scenario, and the dual protection scenario would be 81.77×105, 82.45×105, 82.82×105, and 82.51×105 t, respectively.

9.
Adv Sci (Weinh) ; : e2403998, 2024 Aug 29.
Artículo en Inglés | MEDLINE | ID: mdl-39206753

RESUMEN

The molecular representation model is a neural network that converts molecular representations (SMILES, Graph) into feature vectors, and is an essential module applied across a wide range of artificial intelligence-driven drug discovery scenarios. However, current molecular representation models rarely consider the three-dimensional conformational space of molecules, losing sight of the dynamic nature of small molecules as well as the essence of molecular conformational space that covers the heterogeneity of molecule properties, such as the multi-target mechanism of action, recognition of different biomolecules, dynamics in cytoplasm and membrane. In this study, a new model named GeminiMol is proposed to incorporate conformational space profiles into molecular representation learning, which extracts the feature of capturing the complicated interplay between the molecular structure and the conformational space. Although GeminiMol is pre-trained on a relatively small-scale molecular dataset (39290 molecules), it shows balanced and superior performance not only on 67 molecular properties predictions but also on 73 cellular activity predictions and 171 zero-shot tasks (including virtual screening and target identification). By capturing the molecular conformational space profile, the strategy paves the way for rapid exploration of chemical space and facilitates changing paradigms for drug design.

10.
J Cheminform ; 15(1): 103, 2023 Nov 02.
Artículo en Inglés | MEDLINE | ID: mdl-37919805

RESUMEN

With the continuous development of artificial intelligence technology, more and more computational models for generating new molecules are being developed. However, we are often confronted with the question of whether these compounds are easy or difficult to synthesize, which refers to synthetic accessibility of compounds. In this study, a deep learning based computational model called DeepSA, was proposed to predict the synthesis accessibility of compounds, which provides a useful tool to choose molecules. DeepSA is a chemical language model that was developed by training on a dataset of 3,593,053 molecules using various natural language processing (NLP) algorithms, offering advantages over state-of-the-art methods and having a much higher area under the receiver operating characteristic curve (AUROC), i.e., 89.6%, in discriminating those molecules that are difficult to synthesize. This helps users select less expensive molecules for synthesis, reducing the time and cost required for drug discovery and development. Interestingly, a comparison of DeepSA with a Graph Attention-based method shows that using SMILES alone can also efficiently visualize and extract compound's informative features. DeepSA is available online on the below web server ( https://bailab.siais.shanghaitech.edu.cn/services/deepsa/ ) of our group, and the code is available at https://github.com/Shihang-Wang-58/DeepSA .

11.
PLoS One ; 18(6): e0286825, 2023.
Artículo en Inglés | MEDLINE | ID: mdl-37315071

RESUMEN

Soil organic matter (SOM) is a key index of soil fertility. Calculating spectral index and screening characteristic band reduce redundancy information of hyperspectral data, and improve the accuracy of SOM prediction. This study aimed to compare the improvement of model accuracy by spectral index and characteristic band. This study collected 178 samples of topsoil (0-20 cm) in the central plain of Jiangsu, East China. Firstly, visible and near-infrared (VNIR, 350-2500 nm) reflectance spectra were measured using ASD FieldSpec 4 Std-Res spectral radiometer in the laboratory, and inverse-log reflectance (LR), continuum removal (CR), first-order derivative reflectance (FDR) were applied to transform the original reflectance (R). Secondly, optimal spectral indexes (including deviation of arch, difference index, ratio index, and normalized difference index) were calculated from each type of VNIR spectra. Characteristic bands were selected from each type of spectra by the competitive adaptive reweighted sampling (CARS) algorithm, respectively. Thirdly, SOM prediction models were established based on random forest (RF), support vector regression (SVR), deep neural networks (DNN) and partial least squares regression (PLSR) methods using optimal spectral indexes, denoted here as SI-based models. Meanwhile, SOM prediction models were established using characteristic wavelengths, denoted here as CARS-based models. Finally, this research compared and assessed accuracy of SI-based models and CARS-based models, and selected optimal model. Results showed: (1) The correlation between optimal spectral indexes and SOM was enhanced, with absolute value of correlation coefficient between 0.66 and 0.83. The SI-based models predicted SOM content accurately, with the coefficient of determination (R2) and root mean square error (RMSE) values ranging from 0.80 to 0.87, 2.40 g/kg to 2.88 g/kg in validation sets, and relative percent deviation (RPD) value between 2.14 and 2.52. (2) The accuracy of CARS-based models differed with models and spectral transformations. For all spectral transformations, PLSR and SVR combined with CARS displayed the best prediction (R2 and RMSE values ranged from 0.87 to 0.92, 1.91 g/kg to 2.56 g/kg in validation sets, and RPD value ranged from 2.41 to 3.23). For FDR and CR spectra, DNN and RF models achieved more accuracy (R2 and RMSE values ranged from 0.69 to 0.91, 1.90 g/kg to 3.57 g/kg in validation sets, and RPD value ranged from 1.73 to 3.25) than LR and R spectra (R2 and RMSE values from 0.20 to 0.35, 5.08 g/kg to 6.44 g/kg in validation sets, and RPD value ranged from 0.96 to 1.21). (3) Overall, the accuracy of SI-based models was slightly lower than that of CARS-based models. But spectral index had a good adaptability to the models, and each SI-based model displayed the similar accuracy. For different spectra, the accuracy of CARS-based model differed from modeling methods. (4) The optimal CARS-based model was model CARS-CR-SVR (R2 and RMSE: 0.92 and 1.91 g/kg in validation set, RPD: 3.23). The optimal SI-based model was model SI3-SVR (R2 and RMSE: 0.87 and 2.40 g/kg in validation set, RPD: 2.57) and model SI-SVR (R2 and RMSE: 0.84 and 2.63 g/kg in validation set, RPD: 2.35).


Asunto(s)
Algoritmos , Fertilidad , China , Laboratorios , Suelo
12.
Polymers (Basel) ; 15(8)2023 Apr 14.
Artículo en Inglés | MEDLINE | ID: mdl-37112030

RESUMEN

The rheological behaviors of low-density polyethylene doped with additives (PEDA) determine the dynamic extrusion molding and structure of high-voltage cable insulation. However, the coupling effect of additives and molecular chain structure of LDPE on the rheological behaviors of PEDA is still unclear. Here, for the first time, the rheological behaviors of PEDA under uncross-linked conditions are revealed by experiment and simulation analysis, as well as rheology models. The rheology experiment and molecular simulation results indicate that additives can reduce the shear viscosity of PEDA, but the effect degree of different additives on rheological behaviors is determined by both chemical composition and topological structure. Combined with experiment analysis and the Doi-Edwards model, it demonstrates that the zero-shear viscosity is only determined by LDPE molecular chain structure. Nevertheless, different molecular chain structures of LDPE have different coupling effects with additives on the shear viscosity and non-Newtonian feature. Given this, the rheological behaviors of PEDA are predominant by the molecular chain structure of LDPE and are also affected by additives. This work can provide an important theoretical basis for the optimization and regulation of rheological behaviors of PEDA materials used for high-voltage cable insulation.

13.
Huan Jing Ke Xue ; 44(12): 6909-6920, 2023 Dec 08.
Artículo en Zh | MEDLINE | ID: mdl-38098414

RESUMEN

Anhui, Henan, Jiangsu, and Shandong provinces were selected as the study area. A total of 599 soil samples and nine environmental factors of soil pH were collected. The spatial distribution of soil pH was modeled based on multi-scale geographically weighted regression(MGWR), mixed geographically weighted regression(Mixed GWR), geographically weighted regression(GWR), and multiple linear regression(MLR) models. Then, the spatial difference in the effect of environmental factors on soil pH was revealed using MGWR and quantile regression models. The results showed that:① soil pH showed significant global and local spatial autocorrelation at different spatial distances, and the clustering characteristics were obvious. ② The MGWR model was the best among the four models, and the Radj2 of MGWR, Mixed GWR, GWR, and MLR were 0.64, 0.62, 0.59, and 0.48, respectively. The residual of MGWR had the strongest independent distribution and the weakest spatial autocorrelation with a global Moran's I of 0.07. ③ Three types of GWR predictions showed that the spatial distribution of soil pH decreased gradually from north to south in the study area, with the highest in northern Henan and the lowest in southern Anhui. ④ MGWR modeling results showed that there was strong spatial heterogeneity of mean annual precipitation(MAP), multi-resolution valley bottom flatness(MRVBF), and elevation affecting soil pH. MAP had a stronger effect on soil pH in northern Jiangsu and most parts of Shandong. The positive effect of MRVBF on soil pH was stronger in northern Jiangsu and western Shandong. The negative effect of elevation on soil pH was stronger in northern and central Jiangsu. ⑤ The quantile regression analysis showed that the mean annual precipitation had a significant negative effect on soil pH at different quantile levels of soil pH, and influence intensity decreased with the increase in pH quantile level. MRVBF had a significant negative effect on soil pH at a low quantile level(θ=0.1 to 0.4) but had no significant effect on soil pH at a high quantile level(θ=0.5 to 0.9). These results can provide an important reference for mapping soil properties and analyzing its influence factors based on the MGWR model in large regions.

14.
Biosensors (Basel) ; 13(1)2023 Jan 15.
Artículo en Inglés | MEDLINE | ID: mdl-36671980

RESUMEN

Soil microbial fuel cells (SMFCs) are an innovative device for soil-powered biosensors. However, the traditional SMFC sensors relied on anodic biosensing which might be unstable for long-term and continuous monitoring of toxic pollutants. Here, a carbon-felt-based cathodic SMFC biosensor was developed and applied for soil-powered long-term sensing of heavy metal ions. The SMFC-based biosensor generated output voltage about 400 mV with the external load of 1000 Ω. Upon the injection of metal ions, the voltage of the SMFC was increased sharply and quickly reached a stable output within 2~5 min. The metal ions of Cd2+, Zn2+, Pb2+, or Hg2+ ranging from 0.5 to 30 mg/L could be quantified by using this SMFC biosensor. As the anode was immersed in the deep soil, this SMFC-based biosensor was able to monitor efficiently for four months under repeated metal ions detection without significant decrease on the output voltage. This finding demonstrated the clear potential of the cathodic SMFC biosensor, which can be further implemented as a low-cost self-powered biosensor.


Asunto(s)
Fuentes de Energía Bioeléctrica , Técnicas Biosensibles , Metales Pesados , Suelo , Electrodos
15.
Micromachines (Basel) ; 13(10)2022 Oct 09.
Artículo en Inglés | MEDLINE | ID: mdl-36296052

RESUMEN

Wearable pulse detection devices can be used for daily human healthcare monitoring; however, the relatively poor flexibility and low sensitivity of the pulse detection devices are hindering the scrutiny of pulse information during pulse diagnosis of different pulse positions. This paper developed a novel and wearable pulse detection device based on three flexible pressure sensors using synthetic graphene and silver composites as the pressure sensing material. The structural design of the pulse detection device is firstly presented; the core component of pressure sensors is using the sawtooth protrusions to convert pressure induced by radial pulse vibrations into localized deformation of graphene composites. The fabricated pulse detection device is characterized by high pressure sensing performance, including relatively high sensitivity (8.65% kPa-1), broad sensing range (12 kPa), and good dynamic response with a response time of about 100 ms. Then, the pulse detection device is worn on a human wrist to detect the pulses from three pulse positions, namely, 'Cun', 'Guan', and 'Chi', and the results demonstrated the capability of using our device to detect pulse signals. The physical conditions of the subject, such as arterial stiffness index, can be further analyzed through the characteristics of the acquired pulse signals, demonstrating the potential application of using wearable pulse detection devices for human health monitoring.

16.
J Bioinform Comput Biol ; 20(1): 2150034, 2022 02.
Artículo en Inglés | MEDLINE | ID: mdl-35061973

RESUMEN

HCoV-HKU1 is a [Formula: see text]-coronavirus with low pathogenicity, which usually leads to respiratory diseases. At present, a controversial issue is that whether the receptor binding site (RBS) of HCoV-HKU1 is located in the N-terminal domain (NTD) or the C-terminal domain (CTD) in the HCoV-HKU1 S protein. To address this issue, we used molecular docking technology to dock the NTD and CTD with 9-oxoacetylated sialic acid (9-O-Ac-Sia), respectively, with the results showing that the RBS of HCoV-HKU1 is located in the NTD (amino acid residues 80-95, 25-32). Our findings clarified the structural basis and molecular mechanism of the HCoV-HKU1 infection, providing important information for the development of therapeutic antibody drugs and the design of vaccines.


Asunto(s)
Coronavirus , Glicoproteína de la Espiga del Coronavirus , Betacoronavirus/metabolismo , Sitios de Unión , Simulación del Acoplamiento Molecular , Glicoproteína de la Espiga del Coronavirus/metabolismo
17.
PLoS One ; 16(1): e0245040, 2021.
Artículo en Inglés | MEDLINE | ID: mdl-33465085

RESUMEN

Soil organic carbon content has a significant impact on soil fertility and grain yield, making it an important factor affecting agricultural production and food security. Dry farmland, the main type of cropland in China, has a lower soil organic carbon content than that of paddy soil, and it may have a significant carbon sequestration potential. Therefore, in this study we applied the CENTURY model to explore the temporal and spatial changes of soil organic carbon (SOC) in Jilin Province from 1985 to 2015. Dry farmland soil polygons were extracted from soil and land use layers (at the 1:1,000,000 scale). Spatial overlay analysis was also used to extract 1282 soil polygons from dry farmland. Modelled results for SOC dynamics in the dry farmland, in conjunction with those from the Yushu field-validation site, indicated a good level of performance. From 1985 to 2015, soil organic carbon density (SOCD) of dry farmland decreased from 34.36 Mg C ha-1 to 33.50 Mg C ha-1 in general, having a rate of deterioration of 0.03 Mg C ha-1 per year. Also, SOC loss was 4.89 Tg from dry farmland soils in the province, with a deterioration rate of 0.16 Tg C per year. 35.96% of the dry farmland its SOCD increased but 64.04% of the area released carbon. Moreover, SOC dynamics recorded significant differences between different soil groups. The method of coupling the CENTURY model with a detailed soil database can simulate temporal and spatial variations of SOC at a regional scale, and it can be used as a precise simulation method for dry farmland SOC dynamics.


Asunto(s)
Agricultura , Secuestro de Carbono , Carbono/análisis , Granjas , Suelo/química , China , Simulación por Computador
18.
Materials (Basel) ; 14(13)2021 Jun 24.
Artículo en Inglés | MEDLINE | ID: mdl-34202633

RESUMEN

Micro/nano- BN co-doped epoxy composites were prepared and their thermal conductivity, breakdown strength at power frequency and voltage endurance time under high frequency bipolar square wave voltage were investigated. The thermal conductivity and breakdown performance were enhanced simultaneously in the composite with a loading concentration of 20 wt% BN at a micro/nano proportion of 95/5. The breakdown strength of 132 kV/mm at power frequency, the thermal conductivity of 0.81 W·m-1·K-1 and voltage endurance time of 166 s were obtained in the composites, which were approximately 28%, 286% and 349% higher than that of pristine epoxy resin. It is proposed that thermal conductive pathways are mainly constructed by micro-BN, leading to improved thermal conductivity and voltage endurance time. A model was introduced to illustrate the enhancement of the breakdown strength. The epoxy composites with high thermal conductivity and excellent breakdown performance could be feasible for insulating materials in high-frequency devices.

19.
Materials (Basel) ; 13(1)2020 Jan 01.
Artículo en Inglés | MEDLINE | ID: mdl-31906309

RESUMEN

Epoxy resin-based nanocomposites have been widely researched for being potential insulating materials in high voltage power equipment. In this paper, nano-TiO2 particles were chosen and surface-modified by a silane coupling agent containing an epoxy group. The effect of functionalized nano-TiO2 doping on the physical properties of epoxy resin was studied. The results of differential scanning calorimetry show that Tg increased significantly and can be increased by up to 35 °C. Therefore, it is believed that the suppression of molecular motion by the addition of nanofillers works effectively in the case of this functionalized nano-TiO2 and a strong interaction between the epoxy resin and the nano-TiO2 was formed after surface modification. Consequently, dynamic mechanical properties, thermal conductivity, electrical conductivity, and trap characteristics of epoxy resin are all adjusted after introducing functionalized nano-TiO2. All of these physical properties were analyzed from the perspective of suppression of molecular motion, and it is of significance to establish the theory of a nanocomposite dielectric. Besides, the results show that the epoxy/TiO2 nanocomposite is expected to be applied in the insulation system of electrical equipment.

20.
Ying Yong Sheng Tai Xue Bao ; 31(6): 1999-2006, 2020 Jun.
Artículo en Zh | MEDLINE | ID: mdl-34494754

RESUMEN

With the ecological environment problems being increasingly prominent and globalized, more and more attention is paid to environmental protection. Remote sensing technology is important in monitoring and evaluating ecological environment. In this study, based on the Landsat image data of 1992, 2000, 2008 and 2017, the remote sensing ecological index (RSEI) was constructed to monitor and evaluate the quality of ecological environment in Hangjin Banner, Inner Mongolia, aiming to provide a theoretical basis for local ecological environment protection. The results showed that from 1992 to 2017, the quality of ecological environment in Hangjin Banner was generally poor, with RESI grades of poor and inferior. The mean value of RESI increased from 0.31 (1992) to 0.37 (2008) and then decreased to 0.30 (2017). During the period, the change range was mainly from one grade to the next. In terms of spatial distribution, the regions with poor ecological environment quality were mainly in the desert plains of the central and western regions, that with good ecological quality mainly along the Yellow River and in the southeast, and that with large fluctuation of ecological quality grade mainly in the desert edge along the Yellow River and in the hilly and gully regions in the east. During the research period, the center of gravity of each ecological grade in Hangjin Banner substantially shifted, with spatiotemporal fluctuations. Our results suggest that ecological environment of Hangjin Banner was fragile and unstable. Ecological construction can promote the quality of ecological environment, but resources and land use should also be reasonably allocated.


Asunto(s)
Ecosistema , Tecnología de Sensores Remotos , China , Conservación de los Recursos Naturales , Monitoreo del Ambiente
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