Results 71 to 80 of about 5,027,035 (319)

An all‐electron numerical method for solving the local density functional for polyatomic molecules

, 1990
A method for accurate and efficient local density functional calculations (LDF) on molecules is described and presented with results. The method, Dmol for short, uses fast convergent three‐dimensional numerical integrations to calculate the matrix ...
B. Delley
semanticscholar   +1 more source

Density-functional method for nonequilibrium electron transport [PDF]

, 2001
We describe an ab initio method for calculating the electronic structure, electronic transport, and forces acting on the atoms, for atomic scale systems connected to semi-infinite electrodes and with an applied voltage bias.
M. Brandbyge, J. Mozos, P. Ordejón, Jeremy Taylor, K. Stokbro   +4 more
semanticscholar   +1 more source

The solution supramolecular structure of α2 → 8 polysialic acid suggests a structural cause for its low immunogenicity

FEBS Letters, EarlyView.
α2 → 8 polysialic acid elicits poor immunogenicity. Small‐angle scattering shows a supramolecular structure with parallel‐chain binding, although in different forms at μm and mm calcium. The major histocompatibility complex requires molecular weights around 2000 Da to produce antibodies, and 2000 Da polysialic oligomers will bind in these structures ...
Kenneth A. Rubinson
wiley   +1 more source

Generalized gradient approximation for the exchange-correlation hole of a many-electron system.

Physical Review B (Condensed Matter), 1996
We construct a generalized gradient approximation (GGA) for the density ${\mathit{n}}_{\mathrm{xc}}$(r,r+u) at position r+u of the exchange-correlation hole surrounding an electron at r, or more precisely for its system and spherical average 〈${\mathit{n}
J. Perdew, K. Burke, Yue Wang
semanticscholar   +1 more source

The power of microRNA regulation—insights into immunity and metabolism

FEBS Letters, EarlyView.
MicroRNAs are emerging as crucial regulators at the intersection of metabolism and immunity. This review examines how miRNAs coordinate glucose and lipid metabolism while simultaneously modulating T‐cell development and immune responses. Moreover, it highlights how cutting‐edge artificial intelligence applications can identify miRNA biomarkers ...
Stefania Oliveto, Nicola Manfrini, Stefano Biffo   +2 more
wiley   +1 more source

Spectral structure and solution of fractional hydrogen atom difference equations

AIMS Mathematics, 2020
In this study, discrete fractional hydrogen atom (DFHA) operators are presented. Hydrogen atom differential equations have series solution due to having singularity and also obtaining a series solution for DFHA equations have some difficulties, for this ...
Erdal Bas, Ramazan Ozarslan, Resat Yilmazer   +2 more
doaj   +1 more source

On‐treatment dynamics of circulating extracellular vesicles in the first‐line setting of patients with advanced non‐small cell lung cancer: the LEXOVE prospective study

Molecular Oncology, EarlyView.
The LEXOVE prospective study evaluated plasma cell‐free extracellular vesicle (cfEV) dynamics using Bradford assay and dynamic light scattering in metastatic non‐small cell lung cancer patients undergoing first‐line treatments, correlating a ∆cfEV < 20% with improved median progression‐free survival in responders versus non‐responders.
Valerio Gristina, Viviana Bazan, Nadia Barraco, Simona Taverna, Mauro Manno, Samuele Raccosta, Anna Paola Carreca, Marco Bono, Tancredi Didier Bazan Russo, Francesco Pepe, Pasquale Pisapia, Lorena Incorvaia, Giuseppe Badalamenti, Giancarlo Troncone, Umberto Malapelle, Daniele Santini, Antonio Russo, Antonio Galvano   +17 more
wiley   +1 more source

Integrative analysis of circulating tumor cells (CTCs) and exosomes from small‐cell lung cancer (SCLC) patients: a comprehensive approach

Molecular Oncology, EarlyView.
This study simultaneously investigated circulating tumor cells (CTCs) and exosomes from small‐cell lung cancer (SCLC) patients. The elevated expression of JUNB and CXCR4 in CTCs was a poor prognostic factor for SCLC patients, whereas exosomal overexpression of these biomarkers revealed a high discrimination ability of patients from healthy individuals,
Dimitrios Papakonstantinou, Argyro Roumeliotou, Evangelia Pantazaka, Athanasios‐Nasir Shaukat, Athina Christopoulou, Angelos Koutras, Foteinos‐Ioannis Dimitrakopoulos, Vassilis Georgoulias, Anastasia Xagara, Evangelia Chantzara, Fillipos Koinis, Athanasios Kotsakis, Constantinos Stathopoulos, Galatea Kallergi   +13 more
wiley   +1 more source

Spectral properties of a broadband far infrared photodetector with a new design of active region

Condensed Matter Physics, 2023
A quantum theory of spectral parameters and oscillator strengths of quantum transitions in an active region, which contains cascades of wide quantum wells with a complicated potential profile is developed.
M. V. Tkach, Ju. O. Seti, O. M. Voitsekhivska, V. V. Hutiv   +3 more
doaj   +1 more source

Inhibition of acyl‐CoA synthetase long‐chain isozymes decreases multiple myeloma cell proliferation and causes mitochondrial dysfunction

Molecular Oncology, EarlyView.
Triacsin C inhibition of the acyl‐CoA synthetase long chain (ACSL) family decreases multiple myeloma cell survival, proliferation, mitochondrial respiration, and membrane potential. Made with Biorender.com. Multiple myeloma (MM) is an incurable cancer of plasma cells with a 5‐year survival rate of 59%.
Connor S. Murphy, Heather Fairfield, Victoria E. DeMambro, Samaa Fadel, Carlos A. Gartner, Michelle Karam, Christian Potts, Princess Rodriguez, Ya‐Wei Qiang, Habib Hamidi, Xiangnan Guan, Calvin P. H. Vary, Michaela R. Reagan   +12 more
wiley   +1 more source