In order to explore the intrinsic properties of single-atom (SA) catalysts, the different coordinated atoms (typically Bx and Ny, x + y =1 ~ 3) within graphene (BxNy-graphene) can be...
The interaction between H 2 S and oxygen vacancy on the anatase TiO 2 (101) surface has been theoretically studied by using first-principles calculations. On one hand, it is found that the relative stability of the subsurface and surface V O could be reversed by H 2 S adsorption, and the surface V O becomes energetically more favorable than the subsurface V O . Meanwhile, the adsorption of H 2 S also can efficiently facilitate V O diffusion from the subsurface layer to the surface layer. On the other hand, the results show that both the subsurface and the surface V O s can facilitate the H 2 S dissociation. Subsurface V O can facilitate the H 2 S dissociation directly. In contrast, the H 2 S dissociates on the surface with surface V O by two indirect pathways. Specifically, after H 2 S dissociation on the surface with surface V O , the adsorption of the two complete dissociative H 2 S are energetically more stable than that of the surface with subsurface V O , and the sulfur atoms from H 2 S fill in the surface V O site and form stable S-doped TiO 2 surfaces. This conclusion reveals the essential interaction between H 2 S and a subsurface oxygen vacancy, which may provide a possible way to illuminate the origin of the photocatalytic activity of the anatase TiO 2 (101) surface, and offers a possible method to obtain the S-doped TiO 2 surface.
Herein, the adsorption behaviors and interactions of different gas species on single-metal atom-anchored graphenylene (M–graphenylene, M = Mn, Co, Ni, and Cu) sheets were investigated by first-principles calculations.
Anomanolide C (AC), a natural withanolide isolated from Tubocapsicum anomalum, has been reported to have exhibits remarkable anti-tumour activities in several types of human cancers, particularly triple-negative breast cancer (TNBC). However, its intricate mechanisms still remain need to be clarified. Here, we evaluated whether AC could inhibit cell proliferation and the role of AC in ferroptosis induction and autophagy activation. Subsequently, the anti-migration potential of AC was found via autophagy-dependent ferroptosis. Additionally, we found that AC reduced the expression of GPX4 by ubiquitination and inhibited TNBC proliferation and metastasis in vitro and in vivo. Moreover, we demonstrated that AC induced autophagy-dependent ferroptosis, and led to Fe 2+ accumulation via ubiquitinating GPX4. Moreover, AC was shown to induce autophagy-dependent ferroptosis as well as to inhibit TNBC proliferation and migration via GPX4 ubiquitination. Together, these results demonstrated that AC inhibited the progression and metastasis of TNBC by inducing autophagy-dependent ferroptosis via ubiquitinating GPX4, which might shed light on exploiting AC as a new drug candidate for the future TNBC therapy.
The tensile strain along [11̄0] on the reduced TiO2(110) surface can greatly promote the dissociation of water, the compressive strain along [001] and [11̄0] can change the dissociation mechanisms.
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