| 1 | Effects of local compositional and structural disorder on vacancy formation in entropy-stabilized oxides from first-principles显示文摘Entropic stabilization has evolved into a strategy to create new oxide materials and realize novel functional properties engineered through the alloy composition.Achieving an atomistic understanding of these properties to enable their design,however,has been challenging due to the local compositional and structural disorder that underlies their fundamental structure-property relationships.Here,we combine high-throughput atomistic calculations and linear regression algorithms to investigate the role of local configurational and structural disorder on the thermodynamics of vacancy formation in (MgCoNiCuZn)O-based entropy-stabilized oxides (ESOs) and their influence on the electrical properties.We find that the cation-vacancy formation energies decrease with increasing local tensile strain caused by the deviation of the bond lengths in ESOs from the equilibrium bond length in the binary oxides.The oxygen-vacancy formation strongly depends on structural distortions associated with the local configuration of chemical species.Vacancies in ESOs exhibit deep thermodynamic transition levels that inhibit electrical conduction.By applying the charge-neutrality condition,we determine that the equilibrium concentrations of both oxygen and cation vacancies increase with increasing Cu mole fraction.Our results demonstrate that tuning the local chemistry and associated structural distortions by varying alloy composition acts an engineering principle that enables controlled defect formation in multi-component alloys. | Sieun Chae Logan Williams Jihang Lee John T.Heron Emmanouil Kioupakis | 2022 | npj Computational Materials2022，，1： | 1 |
| 2 | Reprogramming of cancer-associated fibroblasts by apoptotic cancer cells inhibits lung metastasis via Notch1-WISP-1 signaling显示文摘The interplay between apoptotic cancer cells and the tumor microenvironment modulates cancer progression and metastasis.Cancer-associated fibroblasts(CAFs)play a crucial role in promoting these events through paracrine communication.Here,we demonstrate that conditioned medium(CM)from lung CAFs exposed to apoptotic cancer cells suppresses TGF-β1-induced migration and invasion of cancer cells and CAFs.Direct exposure of CAFs to apoptotic 344SQ cells(ApoSQ)inhibited CAF migration and invasion and the expression of CAF activation markers.Enhanced secretion of Wnt‐induced signaling protein 1(WISP-1)by CAFs exposed to ApoSQ was required for these antimigratory and anti-invasive effects.Pharmacological inhibition of Notch1 activation or siRNA-mediated Notch1 silencing prevented WISP-1 production by CAFs and reversed the antimigratory and anti-invasive effects.Enhanced expression of the Notch ligand delta-like protein 1 on the surface of ultraviolet-irradiated apoptotic lung cancer cells triggered Notch1-WISP-1 signaling.Phosphatidylserine receptor brain-specific angiogenesis inhibitor 1(BAI1)-Rac1 signaling,which facilitated efferocytosis by CAFs,participated in crosstalk with Notch1 signaling for optimal production of WISP-1.In addition,a single injection of ApoSQ enhanced WISP-1 production,suppressed the expression of CAF activation markers in isolated Thy1^(+)CAFs,and inhibited lung metastasis in syngeneic immunocompetent mice via Notch1 signaling.Treatment with CM from CAFs exposed to ApoSQ suppressed tumor growth and lung metastasis,whereas treatment with WISP-1-immunodepleted CM from CAFs exposed to ApoSQ reversed the antitumorigenic and antimetastatic effects.Therefore,treatment with CM from CAFs exposed to apoptotic lung cancer cells could be therapeutically applied to suppress CAF activation,thereby preventing cancer progression and metastasis. | Hee Ja Kim Kyungwon Yang Kiyoon Kim Ye‐Ji Lee Sieun Lee Sung Yong Ahn Young‐Ho Ahn Jihee Lee Kang | 2022 | Cellular & Molecular Immunology2022，19，12： | 0 |
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