Quantum transport through STM-lifted single PTCDA molecules

Using a scanning tunneling microscope we have measured the quantum conductance through a PTCDA molecule for different configurations of the tip-molecule-surface junction. A peculiar conductance resonance arises at the Fermi level for certain tip to surface distances. We have relaxed the molecular junction coordinates and calculated transport by means of the Landauer/Keldysh approach. The zero bias transmission calculated for fixed tip positions in lateral dimensions but different tip substrate distances show a clear shift and sharpening of the molecular chemisorption level on increasing the STM-surface distance, in agreement with experiment.Comment: accepted for publication in Applied Physics

Green function techniques in the treatment of quantum transport at the molecular scale

The theoretical investigation of charge (and spin) transport at nanometer length scales requires the use of advanced and powerful techniques able to deal with the dynamical properties of the relevant physical systems, to explicitly include out-of-equilibrium situations typical for electrical/heat transport as well as to take into account interaction effects in a systematic way. Equilibrium Green function techniques and their extension to non-equilibrium situations via the Keldysh formalism build one of the pillars of current state-of-the-art approaches to quantum transport which have been implemented in both model Hamiltonian formulations and first-principle methodologies. We offer a tutorial overview of the applications of Green functions to deal with some fundamental aspects of charge transport at the nanoscale, mainly focusing on applications to model Hamiltonian formulations.Comment: Tutorial review, LaTeX, 129 pages, 41 figures, 300 references, submitted to Springer series "Lecture Notes in Physics

Head Exposure to Cold during Whole-Body Cryostimulation: Influence on Thermal Response and Autonomic Modulation

Recent research on whole-body cryotherapy has hypothesized a major responsibility of head cooling in the physiological changes classically reported after a cryostimulation session. The aim of this experiment was to verify this hypothesis by studying the influence of exposing the head to cold during whole-body cryostimulation sessions, on the thermal response and the autonomic nervous system (ANS). Over five consecutive days, two groups of 10 participants performed one whole-body cryostimulation session daily, in one of two different systems; one exposing the whole-body to cold (whole-body cryostimulation, WBC), and the other exposing the whole-body except the head (partial-body cryostimulation, PBC).10 participants constituted a control group (CON) not receiving any cryostimulation. In order to isolate the head-cooling effect on recorded variables, it was ensured that the WBC and PBC systems induced the same decrease in skin temperature for all body regions (mean decrease over the 5 exposures: -8.6°C±1.3°C and -8.3±0.7°C for WBC and PBC, respectively), which persisted up to 20-min after the sessions (P20). The WBC sessions caused an almost certain decrease in tympanic temperature from Pre to P20 (-0.28 ±0.11°C), while it only decreased at P20 (-0.14±0.05°C) after PBC sessions. Heart rate almost certainly decreased after PBC (-8.6%) and WBC (-12.3%) sessions. Resting vagal-related heart rate variability indices (the root-mean square difference of successive normal R-R intervals, RMSSD, and high frequency band, HF) were very likely to almost certainly increased after PBC (RMSSD:+49.1%, HF: +123.3%) and WBC (RMSSD: +38.8%, HF:+70.3%). Plasma norepinephrine concentration was likely increased in similar proportions after PBC and WBC, but only after the first session. Both cryostimulation techniques stimulated the ANS with a predominance of parasympathetic tone activation from the first to the fifth session and in slightly greater proportion with WBC than PBC. The main result of this study indicates that the head exposure to cold during whole-body cryostimulation may not be the main factor responsible for the effects of cryostimulation on the ANS

Parasympathetic Activity and Blood Catecholamine Responses Following a Single Partial-Body Cryostimulation and a Whole-Body Cryostimulation

The aim of this study was to compare the effects of a single whole-body cryostimulation (WBC) and a partial-body cryostimulation (PBC) (i.e., not exposing the head to cold) on indices of parasympathetic activity and blood catecholamines. Two groups of 15 participants were assigned either to a 3-min WBC or PBC session, while 10 participants constituted a control group (CON) not receiving any cryostimulation. Changes in thermal, physiological and subjective variables were recorded before and during the 20-min after each cryostimulation. According to a qualitative statistical analysis, an almost certain decrease in skin temperature was reported for all body regions immediately after the WBC (mean decrease±90% CL, -13.7±0.7°C) and PBC (-8.3±0.3°C), which persisted up to 20-min after the session. The tympanic temperature almost certainly decreased only after the WBC session (-0.32±0.04°C). Systolic and diastolic blood pressures were very likely increased after the WBC session, whereas these changes were trivial in the other groups. In addition, heart rate almost certainly decreased after PBC (-10.9%) and WBC (-15.2%) sessions, in a likely greater proportion for WBC compared to PBC. Resting vagal-related heart rate variability indices (the root-mean square difference of successive normal R-R intervals, RMSSD, and high frequency band, HF) were very likely increased after PBC (RMSSD: +54.4%, HF: +138%) and WBC (RMSSD: +85.2%, HF: +632%) sessions without any marked difference between groups. Plasma norepinephrine concentrations were likely to very likely increased after PBC (+57.4%) and WBC (+76.2%), respectively. Finally, cold and comfort sensations were almost certainly altered after WBC and PBC, sensation of discomfort being likely more pronounced after WBC than PBC. Both acute cryostimulation techniques effectively stimulated the autonomic nervous system (ANS), with a predominance of parasympathetic tone activation. The results of this study also suggest that a whole-body cold exposure induced a larger stimulation of the ANS compared to partial-body cold exposure

Revised Magnetospheric Model Reveals Signatures of Field‐Aligned Current Systems at Mercury

AbstractMercury is the smallest and innermost planet of our solar system and has a dipole‐dominated internal magnetic field that is relatively weak, very axisymmetric and significantly offset toward north. Through the interaction with the solar wind, a magnetosphere is created. Compared to the magnetosphere of Earth, Mercury's magnetosphere is smaller and more dynamic. To understand the magnetospheric structures and processes we use in situ MESSENGER data to develop further a semi‐empiric model of the magnetospheric magnetic field, which can explain the observations and help to improve the mission planning for the BepiColombo mission en‐route to Mercury. We present this semi‐empiric KTH22‐model, a modular model to calculate the magnetic field inside the Hermean magnetosphere. Korth et al. (2015, https://doi.org/10.1002/2015JA021022, 2017, https://doi.org/10.1002/2017gl074699) published a model, which is the basis for the KTH22‐model. In this new version, the representation of the neutral sheet current magnetic field is more realistic, because it is now based on observations rather than ad‐hoc assumptions. Furthermore, a new module is added to depict the eastward ring shaped current magnetic field. These enhancements offer the possibility to improve the main field determination. In addition, analyzing the magnetic field residuals allows us to investigate the field‐aligned currents and their possible dependencies on external drivers. We see increasing currents under more disturbed conditions inside the magnetosphere, but no clear dependence on the z‐component of the interplanetary magnetic field nor on the magnetosheath plasma β.Key Points: We present a revised model of Mercury's magnetospheric magnetic field The model now includes an eastward ring shaped current and the neutral sheet current is calculated more precisely with Biot Savart's law The strength of the field‐aligned currents increases with higher magnetic activity German Ministerium für Wirtschaft und Klimaschutz and the German Zentrum für Luft‐ und RaumfahrtDeutsche Forschungsgemeinschaft http://dx.doi.org/10.13039/501100001659ESA Research Fellowshi

Releasing the concept of HLA-allele specific peptide anchors in viral infections: A non-canonical naturally presented human cytomegalovirus-derived HLA-A*24:02 restricted peptide drives exquisite immunogenicity.

T-cell receptors possess the unique ability to survey and respond to their permanently modified ligands, self HLA-I molecules bound to non-self peptides of various origin. This highly specific immune function is impaired following hematopoietic stem cell transplantation (HSCT) for a timespan of several months needed for the maturation of T-cells. Especially, the progression of HCMV disease in immunocompromised patients induces life-threatening situations. Therefore, the need for a new immune system that delivers vital and potent CD8+ T-cells carrying TCRs that recognize even one human cytomegalovirus (HCMV) peptide/HLA molecule and clear the viral infection long term becomes obvious. The transcription and translation of HCMV proteins in the lytic cycle is a precisely regulated cascade of processes, therefore, it is a highly sensitive challenge to adjust the exact time point of HCMV-peptide recruitment over self-peptides. We utilized soluble HLA technology in HCMV-infected fibroblasts and sequenced naturally sHLA-A*24:02 presented HCMV-derived peptides. One peptide of 14 AAs length derived from the IE2 antigen induced the strongest T-cell responses; this peptide can be detected with a low ranking score in general peptide prediction databanks. These results highlight the need for elaborate and HLA-allele specific peptide selection

Solar-wind-dependent streamline model for Mercury’s magnetosheath

Context. Mercury’s magnetosphere and magnetosheath are unique in the Solar System plasmas as they are highly time dependent, since the planet has only a small-scale magnetosphere originating from the weak intrinsic planetary magnetic field. Yet, it is believed that the plasma therein reaches a quasi-stationary state, that is, the ground state of magnetospheric dynamics, when the solar wind smoothly passes by the magnetosphere without energy or momentum exchange in quiet conditions. Aims. Here, we aim to construct a semi-analytical streamline model for Mercury’s magnetosheath to extend the modeling effort from the magnetospheric plasma to the magnetosheath plasma. The magnetosheath model should have the capability of determining the plasma density and the bulk velocity as a function of the radial distance from the planet, the zenith angle to the Sun, and the solar wind condition. Methods. Our magnetosheath model was constructed with (1) the steady-state continuity equation around a magnetospheric obstacle where the bow shock and magnetopause location may depend on the solar wind condition, (2) the jump conditions at the bow shock, and (3) the adiabatic behavior in the magneotsheath. Results. Our magnetosheath model reasonably explains and reproduces the in-situ measurements around Mercury by the MErcury Surface, Space Environment, GEochemistry and Ranging (MESSENGER) spacecraft as well as numerical simulations. Conclusions. The presented streamline model of Mercury’s magnetosheath serves as a useful tool for the on-going two spacecraft BepiColombo mission when analyzing the plasma data by tracing the plasma parcel along the streamline both forward from one spacecraft to another and backward, locating the shock crossing coordinate, or when estimating the elapsed time of plasma parcel after the shock crossing