Results 91 to 100 of about 855,474 (292)

Bethe-Ansatz density-functional theory of ultracold repulsive fermions in one-dimensional optical lattices

, 2005
We present an extensive numerical study of ground-state properties of confined repulsively interacting fermions on one-dimensional optical lattices.
A. Griffin, A. Muramatsu, D. Pines, E. Y. Loh, F. F. Assaad, F. Rapisarda, G. F. Giuliani, Gao Xianlong, H. J. Schulz, K. Capelle, Klaus Capelle, L. Samuelson, M. P. Tosi, Marco Polini, Marcos Rigol, R. M. Dreizler, R. Saito, S. Roddaro, S. Roddaro, S. Sorella, V. J. Emery, Vivaldo L. Campo   +21 more
core   +1 more source

A methionine‐lined active site governs carbocation stabilization and product specificity in a bacterial terpene synthase

FEBS Letters, EarlyView.
This study reveals a unique active site enriched in methionine residues and demonstrates that these residues play a critical role by stabilizing carbocation intermediates through novel sulfur–cation interactions. Structure‐guided mutagenesis further revealed variants with significantly altered product profiles, enhancing pseudopterosin formation. These
Marion Ringel, Carl P. O. Helmer, Shani Zev, Ronja Driller, Emily Buhr, Markus Reinbold, Renana Schwartz, Gabriel Foley, Mikael Boden, Daniel Garbe, Gerhard Schenk, Dan Thomas Major, Bernhard Loll, Thomas Brück   +13 more
wiley   +1 more source

Density functional scheme for calculating the pair density

, 2006
5 ...
Higuchi, Masahiko, Higuchi, Katsuhiko
openaire   +2 more sources

Structure and electronic structure of Metal-Organic Frameworks within the Density-Functional based Tight-Binding method

, 2011
Density-functional based tight-binding is a powerful method to describe large molecules and materials. Metal-Organic Frameworks (MOFs), materials with interesting catalytic properties and with very large surface areas have been developed and have become ...
Frenzel, Johannes, Heine, Thomas, Kuc, Agnieszka B., Lukose, Binit, Petkov, Petko St., Seifert, Gotthard, Supronowicz, Barbara, Vayssilov, Georgi N.   +7 more
core   +1 more source

Hyperosmotic stress induces PARP1‐mediated HPF1‐dependent mono(ADP‐ribosyl)ation

FEBS Letters, EarlyView.
Sorbitol‐induced hyperosmotic stress rapidly induces reversible mono(ADP‐ribosyl)ation (MARylation) on PARP1 without the signs of genotoxic signaling. We show that PARP1 autoMARylation is HPF1 dependent and forms hydroxylamine‐resistant O‐glycosidic linkages.
Anna Georgina Kopasz, Mihály Mérey, Rebeka Vásárhelyi, Ramóna Pék, Victor Imburchia, László Henn, Adrián Kószó, Nicholas D. Lakin, Ivan Ahel, Sébastien Huet, Ágnes Czibula, Gyula Timinszky   +11 more
wiley   +1 more source

From dilute matter to the equilibrium point in the energy--density--functional theory

, 2016
Due to the large value of the scattering length in nuclear systems, standard density--functional theories based on effective interactions usually fail to reproduce the nuclear Fermi liquid behavior both at very low densities and close to equilibrium ...
Grasso, M., Lacroix, D., Yang, C. J.
core   +3 more sources

Linking neurogenesis, oligodendrogenesis, and myelination defects to neurodevelopmental disruption in primary mitochondrial disorders

FEBS Letters, EarlyView.
Mitochondrial remodeling shapes neural and glial lineage progression by matching metabolic supply with demand. Elevated OXPHOS supports differentiation and myelin formation, while myelin compaction lowers mitochondrial dependence, revealing mitochondria as key drivers of developmental energy adaptation.
Sahitya Ranjan Biswas, Porter L. Tomsick, Alicia M. Pickrell, Paul D. Morton   +3 more
wiley   +1 more source

Electronic Structure Calculations of Rare-Earth-Doped Magnesium Oxide Based on Density Functional Theory

Crystals
In this paper, the electronic structures of rare earth (Nd, Er)-doped MgO were investigated using density functional theory (DFT), with Hubbard on-site corrections (Ueff) applied to rare earth elements. Li was considered a co-dopant.
Yanfeng Zhao, Alastair N. Cormack, Yiquan Wu   +2 more
doaj   +1 more source

Accurate screened exchange band structures for transition metal monoxides MnO, FeO, CoO and NiO

, 2013
We report calculations of the band structures and density of states of the four transition metal monoxides MnO, FeO, CoO and NiO using the hybrid density functional sX-LDA.
, Asada S, Drabkin I A, Guo Y, Iskenderov R N, John Robertson, Ksendzov Y M, Marsman M, Nekrasov I A Pavlov N S Sadovskii M V, Roland Gillen, Sharma S Shallcross S Dewhurst J K Gross E K U, Zimmermann P   +11 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