| 1. |
- Huang, He, et al.
(författare)
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Material informatics for uranium-bearing equiatomic disordered solid solution alloys
- 2021
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Ingår i: Materials Today Communications. - : Elsevier BV. - 2352-4928. ; 29
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Tidskriftsartikel (refereegranskat)abstract
- Near-equiatomic, multi-component alloys with disordered solid solution phase (DSSP) are associated with outstanding performance in phase stability, mechanical properties and irradiation resistance, and may provide a feasible solution for developing novel uranium-based alloys with better fuel capacity. In this work, we build a machine learning (ML) model of disordered solid solution alloys (DSSAs) based on about 6000 known multicomponent alloys and several materials descriptors to efficiently predict the DSSAs formation ability. To fully optimize the ML model, we develop a multi-algorithm cross-verification approach in combination with the SHapley Additive exPlanations value (SHAP value). We find that the Delta S-C, Lambda, Phi(s), gamma and 1/Omega, corresponding to the former two Hume - Rothery (H - R) rules, are the most important materials descriptors affecting DSSAs formation ability. When the ML model is applied to the 375 uranium-bearing DSSAs, 190 of them are predicted to be the DSSAs never known before. 20 of these alloys were randomly synthesized and characterized. Our predictions are in-line with experiments with 3 inconsistent cases, suggesting that our strategy offers a fast and accurate way to predict novel multi-component alloys with high DSSAs formation ability. These findings shed considerable light on the mapping between the material descriptors and DSSAs formation ability.
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| 2. |
- Li, Xiaoqing, et al.
(författare)
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Antihyperuricemic Effect of Green Alga Ulva lactuca Ulvan through Regulating Urate Transporters
- 2021
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Ingår i: Journal of Agricultural and Food Chemistry. - : American Chemical Society (ACS). - 0021-8561 .- 1520-5118. ; 69:38, s. 11225-11235
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Tidskriftsartikel (refereegranskat)abstract
- A novel polysaccharide from Ulva lactuca (ULP) was purified using a Sepharose CL-4B column. Fourier transform infrared spectroscopy, high-performance liquid chromatography, and nuclear magnetic resonance spectroscopy were employed to analyze the structure of ULP. It consisted of rhamnose (Rha), glucuronic acid (GluA), galactose (Gal), and xylose (Xyl) at a molar ratio of 32.75:22.83:1.07:6.46 with the molecular weight of 2.24 x 10(5) Da. The four major glycosidic residues found in ULP were -> 2,3)-alpha-L-Rhap-(1 ->, -> 4)-beta-D-GlcpA-(1 ->, -> 2,6)-beta-D-Galp-(1 ->, and -> 4)-beta-D-Xylp-(1 ->. The antihyperuricemic activity of ULP was exhibited by detecting related biochemical indexes, urate transporter gene expressions, renal histopathology, and intestinal microbiota shifts. ULP obviously decreased the levels of serum uric acid (UA), blood urea nitrogen, and creatinine, while inhibited serum and hepatic xanthine oxidase activities as well as improved renal injury in hyperuricemic mice. Furthermore, the upregulation of UA excretion genes ABCG2/OAT1 and downregulation of UA resorption genes URAT1 and GLUT9 were detected. In addition, ULP exerted its antihyperuricemic effect through regulating the intestinal microbiome, characterized by elevating the helpful microbial abundance, meanwhile declining the harmful bacterial abundance and restoring the gut microbiome homeostasis. This study demonstrates the antihyperuricemic activity of ULP and its potential effect for the treatment of hyperuricemia-related diseases.
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| 3. |
- Li, Xiaojie, et al.
(författare)
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The influence of temperature on the elastic properties of body-centered cubic reduced activation steels
- 2021
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Ingår i: Materials & design. - : Elsevier BV. - 0264-1275 .- 1873-4197. ; 197
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Tidskriftsartikel (refereegranskat)abstract
- A first-principles based modeling approach to the effect of temperature on the isothermal single-crystal and polycrystalline elastic parameters of Fe-rich solid solutions is reported. The approach integrates alloy theory for chemical and magnetic disorders with accessible experimental data for the equilibrium volume and ferromagnetic phase transition, and is adopted to predict the temperature-dependent elastic parameters of the body-centered cubic phase of three reduced activation steels, CLAM/CLF-1, F82H, EUROFER97, considered as high-temperature material in power reactors. The predictions are assessed based on available experimental data for a reduced activation steel and both experimental and theoretical data for pure Fe. Alloying effects on the elastic constants relative to pure Fe are found to differ in the magnetically ordered and disordered phases. Contributions due to loss of long-range magnetic order, volume expansion, and entropy are important in determining the temperature dependence of the elastic parameters in all investigated materials. A previously reported, peculiar magneto-volume phenomenon on the equation of state in pure Fe is gradually removed by alloying and magnetic disordering, which requires particular attention when describing the thermo-chemical effects derived from the equation of state in Fe-rich solid solutions.
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| 4. |
- Zhao, Guohua, et al.
(författare)
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Materials information and mechanical response of TRIP/TWIP Ti alloys
- 2021
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Ingår i: npj Computational Materials. - : Springer Nature. - 2057-3960. ; 7:1
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Tidskriftsartikel (refereegranskat)abstract
- Materials innovation calls for an integrated framework combining physics-based modelling and data-driven informatics. A dislocation-based constitutive model accounting for both transformation-induced plasticity (TRIP) and twinning-induced plasticity (TWIP) was built to interpret the mechanical characteristics of metastable titanium alloys. Particular attention was placed on quantitatively understanding the composition-sensitive phase stability and its influence on the underlying deformation mechanism. For this purpose, a pseudoelastic force balance incorporating thermodynamics and micromechanics was applied to calculate the energy landscapes of beta -> alpha '' martensitic transformation, {332}< 113 & rang; twinning and dislocation slip. Extensive material data were probed, computed and fed to the model. Our results revealed that TRIP and TWIP may operate simultaneously because of the presence of a noticeably overlapped energy domain, and confirmed {332}< 113 & rang; twinning is an energetically favourable deformation mechanism. The model validation further unveiled that the activation of beta -> alpha '' transition remarkably enhances the strain-hardening and plasticity, even though the dynamically formed alpha '' volume fraction is much less than that of deformation twinning. Our work suggests that the synchronised physical metallurgy and data-driven strategy allows to identify the compositional scenarios for developing high-performance engineering alloys.
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| 5. |
- Zhou, Sirui, et al.
(författare)
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A Neanderthal OAS1 isoform protects individuals of European ancestry against COVID-19 susceptibility and severity
- 2021
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Ingår i: Nature Medicine. - : Springer Nature. - 1078-8956 .- 1546-170X. ; 27:4, s. 659-667
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Tidskriftsartikel (refereegranskat)abstract
- To identify circulating proteins influencing Coronavirus Disease 2019 (COVID-19) susceptibility and severity, we undertook a two-sample Mendelian randomization (MR) study, rapidly scanning hundreds of circulating proteins while reducing bias due to reverse causation and confounding. In up to 14,134 cases and 1.2 million controls, we found that an s.d. increase in OAS1 levels was associated with reduced COVID-19 death or ventilation (odds ratio (OR) = 0.54, P = 7 × 10−8), hospitalization (OR = 0.61, P = 8 × 10−8) and susceptibility (OR = 0.78, P = 8 × 10−6). Measuring OAS1 levels in 504 individuals, we found that higher plasma OAS1 levels in a non-infectious state were associated with reduced COVID-19 susceptibility and severity. Further analyses suggested that a Neanderthal isoform of OAS1 in individuals of European ancestry affords this protection. Thus, evidence from MR and a case–control study support a protective role for OAS1 in COVID-19 adverse outcomes. Available pharmacological agents that increase OAS1 levels could be prioritized for drug development.
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