Results 71 to 80 of about 1,349,139 (282)

Thermal Density Functional Theory in Context

, 2013
This chapter introduces thermal density functional theory, starting from the ground-state theory and assuming a background in quantum mechanics and statistical mechanics.
A. Kietzmann, A. Nagy, A. Theophilou, A.C. Cancio, A.D. Becke, A.D. Becke, C. Lee, C.A. Ullrich, C.D. Sherrill, D. Langreth, E. Engel, E. Fermi, E. Fermi, E. Gross, E.H. Lieb, F. Perrot, F. Perrot, F. Perrot, F. Schwabl, F.R. Graziani, F.W. Averill, H. Englisch, H. Englisch, H. Englisch, H. Eschrig, J. Harriman, J. Perdew, J. Perdew, J.C. Snyder, J.P. Perdew, J.P. Perdew, J.T. Chayes, K. Burke, K. Burke, K. Burke, K.U. Plagemann, K.Y. Sanbonmatsu, L. Oliveira, L.H. Thomas, M. Greiner, M. Levy, M. Levy, M. Levy, M. Reed, M.D. Knudson, N.I. Gidopoulos, O. Gunnarsson, P. Hohenberg, P.R.T. Schipper, P.R.T. Schipper, R. Jones, R. Leeuwen van, R.G. Dandrea, R.G. Parr, R.M. Dreizler, S. Atzeni, S. Pittalis, S. Root, S.G. Wang, S.V. Valone, T.R. Mattsson, V. Fock, V. Karasiev, V.V. Karasiev, V.V. Karasiev, V.V. Karasiev, W. Kohn, W. Kohn   +67 more
core   +1 more source

An isoform of 14‐3‐3 protein regulates transbilayer lipid movement at the plasma membrane

FEBS Letters, EarlyView.
Loss of 14‐3‐3ζ in CHO cells confers resistance to exogenous phosphatidylserine (PS) and impairs endocytosis‐independent inward flip‐flop of fluorescent PS at the plasma membrane. RNAi‐mediated knockdown reproduces this defect, while no additive effect is seen in ATP11C‐deficient cells.
Akiko Yamaji‐Hasegawa, Akira Hattori, Masafumi Tsujimoto, Toshihide Kobayashi   +3 more
wiley   +1 more source

Local-spin-density functional for multideterminant density functional theory

, 2006
Based on exact limits and quantum Monte Carlo simulations, we obtain, at any density and spin polarization, an accurate estimate for the energy of a modified homogeneous electron gas where electrons repel each other only with a long-range coulombic tail.
A. Savin, D. M. Ceperley, D. Pines, G. Giuliani, Giovanni B. Bachelet, H. Stoll, Paola Gori-Giorgi, S. H. Vosko, Saverio Moroni, Simone Paziani   +9 more
core   +1 more source

pH‐mediated activation of the lysosomal arginine sensor SLC38A9

FEBS Letters, EarlyView.
Cells monitor nutrient levels via the lysosomal transporter SLC38A9 to activate the mechanistic target of rapamycin complex 1 (mTORC1). This study reveals that SLC38A9 function is regulated by pH. We identified histidine 544 as a critical pH sensor that undergoes conformational changes to control amino acid efflux from lysosomes; therefore, it ...
Xuelang Mu, Ampon Sae Her, Tamir Gonen
wiley   +1 more source

Time-Dependent Density-Functional Theory for Superfluids

, 2000
A density-functional theory is established for inhomogeneous superfluids at finite temperature, subject to time-dependent external fields in isothermal conditions.
Chiofalo, M. L., Tosi, M. P.
core   +2 more sources

Transcriptional network analysis of PTEN‐protein‐deficient prostate tumors reveals robust stromal reprogramming and signs of senescent paracrine communication

Molecular Oncology, EarlyView.
Combining PTEN protein assessment and transcriptomic profiling of prostate tumors, we uncovered a network enriched in senescence and extracellular matrix (ECM) programs associated with PTEN loss and conserved in a mouse model. We show that PTEN‐deficient cells trigger paracrine remodeling of the surrounding stroma and this information could help ...
Ivana Rondon‐Lorefice, Jose I. Lopez, Aitziber Ugalde‐Olano, Maite Zufiaurre, Ianire Astobiza, Natalia Martin‐Martin, Laura Bozal‐Basterra, Saioa Garcia‐Longarte, Amaia Zabala‐Letona, Sofia Rey, Aida Santos‐Martin, Miguel Unda, Ana Loizaga‐Iriarte, Mariona Graupera, Paolo Nuciforo, Arkaitz Carracedo, Isabel Mendizabal   +16 more
wiley   +1 more source

Covariant density functional theory for antimagnetic rotation

, 2012
Following the previous letter on the first microscopic description of the antimagnetic rotation (AMR) in 105Cd, a systematic investigation and detailed analysis for the AMR band in the frame-work of tilted axis cranking (TAC) model based on covariant ...
A. Bohr, H. Z. Liang, J. Meng, J. Meng, J. Peng, P. Ring, P. Ring, P. W. Zhao, S. Frauendorf, S. Frauendorf, S. Frauendorf   +10 more
core   +1 more source

PARP inhibition and pharmacological ascorbate demonstrate synergy in castration‐resistant prostate cancer

Molecular Oncology, EarlyView.
Pharmacologic ascorbate (vitamin C) increases ROS, disrupts cellular metabolism, and induces DNA damage in CRPC cells. These effects sensitize tumors to PARP inhibition, producing synergistic growth suppression with olaparib in vitro and significantly delayed tumor progression in vivo. Pyruvate rescue confirms ROS‐dependent activity.
Nicolas Gordon, Peter T. Gallagher, Orly I. Richter, Neermala Poudel Neupane, Amy C. Mandigo, Jennifer J. McCann, Emanuela Dylgjeri, Irina Vasilevskaya, Christopher McNair, Channing J. Paller, Wm. Kevin Kelly, Karen E. Knudsen, Matthew J. Schiewer, Ayesha A. Shafi   +13 more
wiley   +1 more source

Local-density approximation for exchange energy functional in excited-state density functional theory

, 2006
An exchange energy functional is proposed and tested for obtaining a class of excited-state energies using density functional formalism. The functional is the excited-state counterpart of the local-density approximation functional for the ground state ...
Baerends E J, Casida M E, Dirac P A M, Dreizler R M, Fischer C F, Frisch M J, Levy M, Manoj K Harbola, Nagy Á, Oliviera L N, Parr R G, Prasanjit Samal, Sahni V, Theophilou A K   +13 more
core   +1 more source

Dammarenediol II enhances etoposide‐induced apoptosis by targeting O‐GlcNAc transferase and Akt/GSK3β/mTOR signaling in liver cancer

Molecular Oncology, EarlyView.
Etoposide induces DNA damage, activating p53‐dependent apoptosis via caspase‐3/7, which cleaves PARP1. Dammarenediol II enhances this apoptotic pathway by suppressing O‐GlcNAc transferase activity, further decreasing O‐GlcNAcylation. The reduction in O‐GlcNAc levels boosts p53‐driven apoptosis and influences the Akt/GSK3β/mTOR signaling pathway ...
Jaehoon Lee, Byung‐Cheol Han, Gi‐Bang Koo, Jihye Park, Mijin Kwon, Young Bin Park, Jae‐Mun Choi, Seung‐Ho Lee, Sangho Roh   +8 more
wiley   +1 more source