Results 71 to 80 of about 7,132,675 (320)
Ground-state densities from the Rayleigh--Ritz variation principle and from density-functional theory [PDF]
arXiv, 2015 The relationship between the densities of ground-state wave functions (i.e., the minimizers of the Rayleigh--Ritz (RR) variation principle) and the ground-state densities in density-functional theory (i.e., the minimizers of the Hohenberg--Kohn (HK) variation principle) is studied within the framework of convex conjugation, in a generic setting ...
arxiv
Phonons and related crystal properties from density-functional perturbation theory [PDF]
, 2000 This article reviews the current status of lattice-dynamical calculations in crystals, using density-functional perturbation theory, with emphasis on the plane-wave pseudopotential method.
S. Baroni +3 more
semanticscholar +1 more source
Making tau amyloid models in vitro: a crucial and underestimated challenge
FEBS Letters, EarlyView.This review highlights the challenges of producing in vitro amyloid assemblies of the tau protein. We review how accurately the existing protocols mimic tau deposits found in the brain of patients affected with tauopathies. We discuss the important properties that should be considered when forming amyloids and the benchmarks that should be used to ...
Julien Broc, Clara Piersson, Yann Fichou
wiley +1 more source
Biphasic Textures Reducing Bacterial Surface Colonization in the Human Oral Cavity
Advanced NanoBiomed Research, 2023 Bacterial colonization occurs on all biological and artificial surfaces in the oral cavity. The formation of multicellular biofilms or settlement of misallocated species can cause caries (diet‐depending acidification), periodontal diseases, peri ...
Ralf Helbig +5 more
doaj +1 more source
Fermion $N$-representability for prescribed density and paramagnetic current density [PDF]
, 2013 The $N$-representability problem is the problem of determining whether or not there exists $N$-particle states with some prescribed property. Here we report an affirmative solution to the fermion $N$-representability problem when both the density and paramagnetic current density are prescribed.
arxiv +1 more source
Unraveling Mycobacterium tuberculosis acid resistance and pH homeostasis mechanisms
FEBS Letters, EarlyView.Mycobacterium tuberculosis exhibits a remarkable resilience to acid stress. In this Review, we discuss some of the molecular mechanisms and metabolic pathways used by the tubercle bacilli to adapt and resist host‐mediated acid stress. Mycobacterium tuberculosis (Mtb) is a successful pathogen that has developed a variety of strategies to survive and ...
Janïs Laudouze +3 more
wiley +1 more source
Associations of residential walkability and greenness with arterial stiffness in the UK Biobank
Environment International, 2022 Background: Arterial stiffness is a key non-invasive marker of early vascular ageing, however, little is known of its associations with urban built environment.
Ka Yan Lai +4 more
doaj
PaDNet: Pan-Density Crowd Counting [PDF]
, 2018 The problem of counting crowds in varying density scenes or in different density regions of the same scene, named as pan-density crowd counting, is highly challenging. Previous methods are designed for single density scenes or do not fully utilize pan-density information.
arxiv +1 more source
FEBS Letters, EarlyView.The S1025 peptide is the major antidote to the YrzI toxin, which we renamed here as SpyT (Small Peptide YrzI Toxin) and SpyA (Small Peptide YrzI Antitoxin) (1). Degradation of the toxin–antitoxin spyTA mRNA, either by a translation‐dependent cleavage by the endoribonuclease Rae1 (2) or by direct attack by 3′‐exoribonucleases (3), also contributes to ...
Laetitia Gilet +4 more
wiley +1 more source
Energy loss of an energetic Ga ion in hot Au plasmas
Matter and Radiation at Extremes, 2016 Self-consistent calculations of energy loss for a Ga ion moving in hot Au plasmas are made under the assumption of wide ranges of the projectile energy and the plasma temperature with all important mechanisms considered in detail.
Bin He, Xujun Meng, Jianguo Wang
doaj +1 more source