Results 41 to 50 of about 1,445,170 (202)

Exchange-correlation potentials and local energies per particle along non-linear adiabatic connections

, 2005
We study non-linear adiabatic connection paths in density-functional theory using modified electron-electron interactions that perform a long-range/short-range separation of the Coulomb interaction.
Colonna, Francois, Savin, Andreas, Toulouse, Julien   +2 more
core   +3 more sources

Epitope Mapping of Anti‐Neurofascin 155 Antibody in a Large Cohort of Autoimmune Nodopathy Patients

Annals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Objective Autoimmune nodopathy (AN), a newly recognized disease entity, is an immune‐mediated polyneuropathy involving autoantibodies against cell adhesion molecules located in nodes of Ranvier and paranodal regions, such as neurofascin 186 (NF186) and neurofascin 155 (NF155). The present study aimed to identify the epitopes for autoantibodies
Amina A. Abdelhadi, Hidenori Ogata, Xu Zhang, Takumi Tashiro, Ryo Yamasaki, Jun‐ichi Kira, Noriko Isobe   +6 more
wiley   +1 more source

Extended Lagrangian Born-Oppenheimer Molecular Dynamics with DFT+U [PDF]

arXiv, 2023
Extended Lagrangian Born-Oppenheimer molecular dynamics (XL-BOMD) [Phys. Rev. Lett. vol. 100, 123004 (2008)] is combined with Kohn-Sham density functional theory (DFT) using a DFT+U correction based on the Hubbard model. This combined XL-BOMD and DFT+U approach allows efficient Born-Oppenheimer molecular dynamics simulations with orbital-dependent ...
arxiv  

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

Long-range repulsive interaction between TTF molecules on a metal surface induced by charge transfer

, 2007
The low-coverage adsorption of a molecular electron donor, tetrathiafulvalene, on Au(111) is characterized by the spontaneous formation of superlattice of monomers, whose spacing exceeds the equilibrium distance of non-covalent interactions and depends ...
B. Diu, I. Fernandez-Torrente, J. Fraxedas, J. Fraxedas, J. I. Pascual, K. J. Franke, N. Lorente, S. Monturet   +7 more
core   +1 more source

The Potential for Extracellular Vesicles in Nanomedicine: A Review of Recent Advancements and Challenges Ahead

Advanced Biology, EarlyView.
Extracellular vesicles (EVs) play a dual role in diagnostics and therapeutics, offering innovative solutions for treating cancer, cardiovascular, neurodegenerative, and orthopedic diseases. This review highlights EVs’ potential to revolutionize personalized medicine through specific applications in disease detection and treatment.
Farbod Ebrahimi, Anjali Kumari, Samaneh Ghadami, Saqer Al Abdullah, Kristen Dellinger   +4 more
wiley   +1 more source

Correlated Electronic Structures and the Phase Diagram of Hydrocarbon-based Superconductors [PDF]

We have investigated correlated electronic structures and the phase diagram of electron-doped hydrocarbon molecular solids, based on the dynamical mean-field theory.
Hong Chul Choi, MIN, BYUNG IL, Minjae Kim, Shim, JH   +3 more
core   +1 more source

FERM3D: A finite element R-matrix electron molecule scattering code [PDF]

, 2006
FERM3D is a three-dimensional finite element program, for the elastic scattering of a low energy electron from a general polyatomic molecule, which is converted to a potential scattering problem.
Allan, Bathe, Bouchiha, Boudaiffa, Colle, Dill, Gianturco, Gianturco, Gianturco, Gianturco, Gianturco, Gibson, Granovsky, Greene, Hara, Lane, Lee, Lehoucq, Li, Lucchese, Lucchese, McCall, Morrison, Morrison, Pople, Press, Rescigno, Scheer, Stefano Tonzani, Tennyson, Tonzani, Tonzani, Tonzani, Tonzani, Trevisan, Werner   +35 more
core   +2 more sources

RhoA and Rac1 as Mechanotransduction Mediators in Colorectal Cancer

Advanced Biology, EarlyView.
Analysing RhoA and Rac1 protein levels in Colorectal cancer (CRC) samples under mechanical strain highlights their potential as diagnostic markers. Monitoring their activity could offer valuable insights into how cancer spreads, paving the way for new approaches to better understand and diagnose colorectal cancer.
Sharda Yadav, Sanjaya KC, Mark A. T. Blaskovich, Cu‐tai Lu, Alfred K Lam, Nam‐Trung Nguyen   +5 more
wiley   +1 more source

Effect of positron-atom interactions on the annihilation gamma spectra of molecules

, 2012
Calculations of gamma spectra for positron annihilation on a selection of molecules, including methane and its fluoro-substitutes, ethane, propane, butane and benzene are presented. The annihilation gamma spectra characterise the momentum distribution of
Akhiezer A I, Armour E A G, Armour E A G, Armour E A G, Berestetskii V B, C M Surko, Cooper J N, Cotton F A, D G Green, Dunlop L J M, Dunlop L J M, F Wang, G F Gribakin, Gaussian M J Frisch, Green D G, Green D G Gribakin G F, Green D G Gribakin G F, Gribakin G F, Laricchia G, McCarthy I E, Pomeranchuk I, Reeth P V, S Saha, Slater J C, Varshalovich D A, Wang F, Wang F, Wright G L, Zhang R   +28 more
core   +1 more source