Results 111 to 120 of about 3,669,081 (378)

Graph-based linear scaling electronic structure theory [PDF]

, 2016
We show how graph theory can be combined with quantum theory to calculate the electronic structure of large complex systems. The graph formalism is general and applicable to a broad range of electronic structure methods and materials, including ...
Bock, Nicolas, Cawkwell, Marc J., Djidjev, Hristo, Germann, Timothy C., Mniszewski, Susan M., Mohd-Yusof, Jamal, Negre, Christian F. A., Niklasson, Anders M. N., Rubensson, Emanuel H., Swart, Pieter J., Wall, Michael E.   +10 more
core   +1 more source

Activation of SIRT1 Reduces Renal Tubular Epithelial Cells Fibrosis in Hypoxia Through SIRT1‐FoxO1‐FoxO3‐Autophagy Pathway

Advanced Biology, EarlyView.
Hypoxia promotes the epithelial‐mesenchymal transition (EMT) of renal tubular epithelial cells via the SIRT1‐FoxO1‐FoxO3‐autophagy pathway, thereby resulting in the fibrosis of renal tubular epithelial cells. Activation of SIRT1 or induction of autophagy inhibits this process, alleviating hypoxia‐induced fibrosis.
Guangyu Wang, Lijuan Zhang, Jiaorong Tan, Fei Li, Yishan Jin, Limei He, Xin Yang   +6 more
wiley   +1 more source

Role of orbital selectivity on crystal structures and electronic states in BiMnO$_3$ and LaMnO$_3$ perovskites [PDF]

arXiv, 2020
Correlated oxides, such as BiMnO$_3$ and LaMnO$_3$, show complex interplay of electronic correlations and crystal structure exhibiting multiple first order phase transitions, some without a clear order parameter. The quantitative theoretical description of this temperature dependent electronic-structural interplay in the vicinity of a Mott transition ...
arxiv  

Graphene Electronic Structure in Charge Density Waves [PDF]

, 2016
We introduce the idea that the electronic band structure of a charge density wave system may mimic the electronic structure of graphene. In that case a class of materials quite different from graphene might be opened up to exploit graphene's remarkable electronic properties.
arxiv   +1 more source

Electronic Shell Structure of Nanoscale Superconductors

, 1999
Motivated by recent experiments on Al nanoparticles, we have studied the effects of fixed electron number and small size in nanoscale superconductors, by applying the canonical BCS theory for the attractive Hubbard model in two and three dimensions.
Anderson, Bormann, Brack, Braun, Dietrich, F. Marsiglio, Jankó, K. Tanaka, Lafarge, Mastellone, Matveev, Ralph, Ralph, Ralph, Richardson, Richardson, Tanaka, Tuominen   +17 more
core   +1 more source

Novel Biologically Active Glass Fiber Functionalized Using Magnesium Phosphate Cement Promotes Bone and Vascular Regeneration

Advanced Biology, EarlyView.
In this study, a new type of bioactive glass fiber ‐based composite magnesium phosphate bone cement is prepared and verified that its mechanical strength and biological properties. In addition, the cement may have played a biologically active role in the Notch and HIF signaling pathways.
Yuzheng Lu, Yanbo Shan, Yingjie Xiong, Jianting Ye, Yanbin Wu, Jipeng Song, Yao Zhang, Wancheng Lin, Haoye Meng, Wenjing Xu, Jiang Peng, Qiang Lu, Lixiang Ding   +12 more
wiley   +1 more source

Investigation of Vortex Structures in Gas-Discharge Nonneutral Electron Plasma: IV. Pulse Ejection of Electrons at the mutual interaction of Vortex Structures [PDF]

arXiv, 2015
The results of experimental investigations of the ejection of electrons from gas-discharge nonneutral electron plasma at interaction of vortex structures have been given. The periodical approach of vortex structures causes the ejection of electrons both from the vortex structures themselves and from the adjacent regions of electron sheath to the end ...
arxiv  

Electronic structures of doped BaFe$_2$As$_2$ materials: virtual crystal approximation versus super-cell approach [PDF]

, 2015
Employing virtual crystal approximation and super-cell methods for doping, we have performed a comparative study of the electronic structures of various doped BaFe$_2$As$_2$ materials by first principles simulations. Both of these methods give rise to a similar density of states and band structures in case of hole doping (K doping in Ba site) and iso ...
arxiv   +1 more source

Electronic Structure Calculations with LDA+DMFT

, 2014
The LDA+DMFT method is a very powerful tool for gaining insight into the physics of strongly correlated materials. It combines traditional ab-initio density-functional techniques with the dynamical mean-field theory. The core aspects of the method are (i)
A Flesch, A Flesch, A Georges, A Georges, AI Lichtenstein, B Amadon, E Gorelov, E Gull, E Koch, E Pavarini, E Pavarini, E Pavarini, E Pavarini, F Aryasetiawan, G Kotliar, G Zhang, J Kanamori, J Rodríguez-Carvajal, JE Hirsch, LG Marshall, M Caffarel, M Imada, MC Sánchez, N Marzari, O Gunnarsson, P Ghigna, RM Martin, T Maier, U Barth von, VI Anisimov, VI Anisimov, W Metzner, WG Yin   +32 more
core   +1 more source

The Regulation of Trace Metal Elements in Cancer Ferroptosis

Advanced Biology, EarlyView.
The induction of ferroptosis inhibits tumor growth, enhances anticancer efficacy, and overcomes drug resistance. Recent evidence shows nonferrous metal elements play a role in ferroptosis. This review focuses on how trace metals regulate ferroptosis processes like iron accumulation, lipid peroxidation, and antioxidant defense.
Xiaoyan Wang, Yuanyuan Xue, Lei Chang, Xuena Zhu, Wenjun Liu, Tingbo Liang   +5 more
wiley   +1 more source