Results 91 to 100 of about 2,071,992 (274)

Smooth relativistic Hartree-Fock pseudopotentials for H to Ba and Lu to Hg

, 2009
We report smooth relativistic Hartree-Fock pseudopotentials (also known as averaged relativistic effective potentials or AREPs) and spin-orbit operators for the atoms H to Ba and Lu to Hg.
Fischer C. Froese, J. R. Trail, R. J. Needs   +2 more
core   +1 more source

Hands‐on protocol for preparing water‐soluble fractions from agri‐food samples for NMR‐based metabolomics analysis

FEBS Open Bio, EarlyView.
This research protocol outlines a workflow for nuclear magnetic resonance (NMR)‐based metabolomics in the agri‐food sector. Using two case studies—strawberry leaves (solid matrix) and wine (liquid matrix)—it details the procedures for sample preparation, data acquisition, and processing.
Andrea Fernández‐Veloso, Jaime Hiniesta‐Valero, Alejandra Guerra‐Castellano, Miguel A. De la Rosa, Irene Díaz‐Moreno   +4 more
wiley   +1 more source

Signatures of the topological s +− superconducting order parameter in the type-II Weyl semimetal T d-MoTe2

Nature Communications, 2017
Understanding the superconductivity in topological materials is of eminent interest. Here, Guguchia et al. report temperature-dependent magnetic penetration depth in the superconducting state of T d -MoTe2 under pressure, suggesting a topologically ...
Z. Guguchia, F. von Rohr, Z. Shermadini, A. T. Lee, S. Banerjee, A. R. Wieteska, C. A. Marianetti, B. A. Frandsen, H. Luetkens, Z. Gong, S. C. Cheung, C. Baines, A. Shengelaya, G. Taniashvili, A. N. Pasupathy, E. Morenzoni, S. J. L. Billinge, A. Amato, R. J. Cava, R. Khasanov, Y. J. Uemura   +20 more
doaj   +1 more source

On the origin of biquadratic exchange in spin 1 chains

, 2000
One dimensional spin 1 systems may have a rich phase diagram including Haldane gap and dimerized phases if the usually very small biquadratic exchange becomes significant.
Mila, Frederic, Zhang, Fu-Chun
core   +2 more sources

Antibiofilm activity of a chionodracine‐derived peptide by NMR‐based metabolomics of cell‐free supernatant of Acinetobacter baumannii clinical strains

FEBS Open Bio, EarlyView.
KHS‐Cnd peptide is able to impair biofilm formation and disaggregate mature biofilms in Acinetobacter baumannii clinical isolates. Differences in extracellular metabolites reflect changes in biofilm metabolism due to KHS‐Cnd treatment. Among the differentially represented extracellular metabolites upon KHS‐Cnd treatment, the significantly altered ...
Fernando Porcelli, Enrico Landi, Francesco Maiurano, Irene Paris, Rosanna Papa, Marco Artini, Laura Selan, Stefano Borocci, Francesco Buonocore, Esther Imperlini   +9 more
wiley   +1 more source

Modeling the electronic structures of the ground and excited states of the ytterbium atom and the ytterbium dimer: A modern quantum chemistry perspective

, 2019
We present a comprehensive theoretical study of the electronic structures of the Yb atom and the Yb$_2$ molecule, respectively, focusing on their ground and lowest-lying electronically excited states.
Boguslawski, Katharina, Borkowski, Mateusz, Kędziera, Dariusz, Tecmer, Paweł, Żuchowski, Piotr Szymon   +4 more
core   +1 more source

KLK7 overexpression promotes an aggressive phenotype and facilitates peritoneal dissemination in colorectal cancer cells

FEBS Open Bio, EarlyView.
KLK7, a tissue kallikrein‐related peptidase, is elevated in advanced colorectal cancer and associated with shorter survival. High KLK7 levels in ascites correlate with peritoneal metastasis. In mice, KLK7 overexpression increases metastasis. In vitro, KLK7 enhances cancer cell proliferation, migration, adhesion, and spheroid formation, driving ...
Yosr Z. Haffani, Tobias Dreyer, Meriem Naim, Rea Lo Dico, Natalia A. Ignatenko, Viktor Magdolen, Dalila Darmoul   +6 more
wiley   +1 more source

The Effect of Ligand Design on Metal Ion Spin State—Lessons from Spin Crossover Complexes

Crystals, 2016
The relationship between chemical structure and spin state in a transition metal complex has an important bearing on mechanistic bioinorganic chemistry, catalysis by base metals, and the design of spin crossover materials.
Malcolm A. Halcrow
doaj   +1 more source

Microglial dynamics and ferroptosis induction in human iPSC‐derived neuron–astrocyte–microglia tri‐cultures

FEBS Open Bio, EarlyView.
A tri‐culture of iPSC‐derived neurons, astrocytes, and microglia treated with ferroptosis inducers as an Induced ferroptosis model was characterized by scRNA‐seq, cell survival, and cytokine release assays. This analysis revealed diverse microglial transcriptomic changes, indicating that the system captures key aspects of the complex cellular ...
Hongmei Lisa Li, Hiroko Ohmiya, Sou Sakamoto, Masato Yugami, Akiko Oki, Makoto Furusawa, Yan Ling   +6 more
wiley   +1 more source

Coordination Clusters of 3d-Metals That Behave as Single-Molecule Magnets (SMMs): Synthetic Routes and Strategies

Frontiers in Chemistry, 2018
The area of 3d-metal coordination clusters that behave as Single-Molecule Magnets (SMMs) is now quite mature within the interdisciplinary field of Molecular Magnetism. This area has created a renaissance in Inorganic Chemistry.
Diamantoula Maniaki, Evangelos Pilichos, Spyros P. Perlepes   +2 more
doaj   +1 more source