An update of Åhlberg (2021a) : A profound explanation of why eating green (wild) edible plants promote health and longevity

Peer reviewe

Electron-phonon coupling and electron self-energy in electron-doped graphene: calculation of angular resolved photoemission spectra

We obtain analytical expressions for the electron self-energy and the electron-phonon coupling in electron-doped graphene using electron-phonon matrix elements extracted from density functional theory simulations. From the electron self-energies we calculate angle resolved photoemission spectra. We demonstrate that the measured kink at $\approx -0.2$ eV from the Fermi level is actually composed of two features, one at $\approx -0.195$ eV due to the twofold degenerate E$_{2g}$ mode, and a second one at $\approx -0.16$ eV due to the A$_{1}^{'}$ mode. The electron-phonon coupling extracted from the kink observed in ARPES experiments is roughly a factor of 5.5 larger than the calculated one. This disagreement can only be partially reconciled by the inclusion of resolution effects. Indeed we show that a finite resolution increases the apparent electron-phonon coupling by underestimating the renormalization of the electron velocity at energies larger than the kinks positions. The discrepancy between theory and experiments is thus reduced to a factor of $\approx$ 2.2. From the linewidth of the calculated ARPES spectra we obtain the electron relaxation time. A comparison with available experimental data in graphene shows that the electron relaxation time detected in ARPES is almost two orders of magnitudes smaller than what measured by other experimental techniques.Comment: 9 pages, 7 figures, see also Matteo Calandra and Francesco Mauri, arXiv:0707.149

Endothelial cell processing and alternatively spliced transcripts of factor VIII: potential implications for coagulation cascades and pulmonary hypertension.

BACKGROUND: Coagulation factor VIII (FVIII) deficiency leads to haemophilia A. Conversely, elevated plasma levels are a strong predictor of recurrent venous thromboemboli and pulmonary hypertension phenotypes in which in situ thromboses are implicated. Extrahepatic sources of plasma FVIII are implicated, but have remained elusive. METHODOLOGY/PRINCIPAL FINDINGS: Immunohistochemistry of normal human lung tissue, and confocal microscopy, flow cytometry, and ELISA quantification of conditioned media from normal primary endothelial cells were used to examine endothelial expression of FVIII and coexpression with von Willebrand Factor (vWF), which protects secreted FVIII heavy chain from rapid proteloysis. FVIII transcripts predicted from database mining were identified by RT-PCR and sequencing. FVIII mAb-reactive material was demonstrated in CD31+ endothelial cells in normal human lung tissue, and in primary pulmonary artery, pulmonary microvascular, and dermal microvascular endothelial cells. In pulmonary endothelial cells, this protein occasionally colocalized with vWF, centered on Weibel Palade bodies. Pulmonary artery and pulmonary microvascular endothelial cells secreted low levels of FVIII and vWF to conditioned media, and demonstrated cell surface expression of FVIII and vWF Ab-reacting proteins compared to an isotype control. Four endothelial splice isoforms were identified. Two utilize transcription start sites in alternate 5 exons within the int22h-1 repeat responsible for intron 22 inversions in 40% of severe haemophiliacs. A reciprocal relationship between the presence of short isoforms and full-length FVIII transcript suggested potential splice-switching mechanisms. CONCLUSIONS/SIGNIFICANCE: The pulmonary endothelium is confirmed as a site of FVIII secretion, with evidence of synthesis, cell surface expression, and coexpression with vWF. There is complex alternate transcription initiation from the FVIII gene. These findings provide a framework for future research on the regulation and perturbation of FVIII synthesis, and of potential relevance to haemophilia, thromboses, and pulmonary hypertensive states

First principles calculation of vibrational Raman spectra in large systems: signature of small rings in crystalline SiO2

We present an approach for the efficient calculation of vibrational Raman intensities in periodic systems within density functional theory. The Raman intensities are computed from the second order derivative of the electronic density matrix with respect to a uniform electric field. In contrast to previous approaches, the computational effort required by our method for the evaluation of the intensities is negligible compared to that required for the calculation of vibrational frequencies. As a first application, we study the signature of 3- and 4-membered rings in the the Raman spectra of several polymorphs of SiO2, including a zeolite having 102 atoms per unit cell.Comment: 4 pages, 2 figures, revtex4 Minor corrections; accepted in Phys. Rev. Let

Spin torque, tunnel-current spin polarization and magnetoresistance in MgO magnetic tunnel junctions

We examine the spin torque (ST) response of magnetic tunnel junctions (MTJs) with ultra-thin MgO tunnel barrier layers to investigate the relationship between the spin-transfer torque and the tunnel magnetoresistance (TMR) under finite bias. We find that the spin torque per unit current exerted on the free layer decreases by less than 10% over a bias range where the TMR decreases by over 40%. We examine the implications of this result for various spin-polarized tunneling models and find that it is consistent with magnetic-state-dependent effective tunnel decay lengths.Comment: 4 pages, 3 figure

Acceleration Schemes for Ab-Initio Molecular Dynamics and Electronic Structure Calculations

We study the convergence and the stability of fictitious dynamical methods for electrons. First, we show that a particular damped second-order dynamics has a much faster rate of convergence to the ground-state than first-order steepest descent algorithms while retaining their numerical cost per time step. Our damped dynamics has efficiency comparable to that of conjugate gradient methods in typical electronic minimization problems. Then, we analyse the factors that limit the size of the integration time step in approaches based on plane-wave expansions. The maximum allowed time step is dictated by the highest frequency components of the fictitious electronic dynamics. These can result either from the large wavevector components of the kinetic energy or from the small wavevector components of the Coulomb potential giving rise to the so called {\it charge sloshing} problem. We show how to eliminate large wavevector instabilities by adopting a preconditioning scheme that is implemented here for the first-time in the context of Car-Parrinello ab-initio molecular dynamics simulations of the ionic motion. We also show how to solve the charge-sloshing problem when this is present. We substantiate our theoretical analysis with numerical tests on a number of different silicon and carbon systems having both insulating and metallic character.Comment: RevTex, 9 figures available upon request, to appear in Phys. Rev.

Integrating local and global projections for the generation of water demand scenarios in the Red River Basin, Vietnam

Planning and management of water supply systems require projections to account for future changes in climate and society. Global and local future scenarios are generated by using models at different spatial scales. The choice of the scale affects if and how the regional socio-economic structure as well as global and local development strategies are considered, and which uncertainties are treated explicitly. This study explores the integration of global and local scale scenarios. Our approach is demonstrated on the Red River basin, Vietnam, where a set of plausible water demands scenarios is generated for 2050. Results show that water demand will increase by 28-58% compared to 2010 when considering all scenarios of climate and socio-economic changes. The ensemble of integrated demands shows a strong dependence of water demand upon the climate-socio-economic state, which allow a better characterization of the future water supply sector dynamics than those obtained by global or local projections only.Copyright (c) 2022 The Authors.This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/