The thermal stability of the tryptic fragment of bovine microsomal cytochrome b5 and a variant containing six additional residues

AbstractThermally induced denaturation has been measured for both oxidised and reduced forms of the tryptic fragment or bovine microsomal cytochrome b5 using spectrophotometric methods. In the oxidised state, the tryptic fragment of cytochrome b5 (Ala7-Lys90) denatures in a single cooperative transition with a midpoint temperature (Tm) of ∼ 67°C (pH 7.0). The reduced form of the tryptic fragment of cytochrome b5 shows a higher transition temperature of ∼ 73°C at pH 7.0 and this is reflected in the values of ΔHm, ΔSm, and Δ(ΔG) of ∼ 310kJ · mol−1, 900J · mol−1 · K−1 and 5 kJ · mol−1. Increased thermal stability is demonstrated for a variant protein that contains the first 90 amino acid residues of cytochrome b5. These novel increases in stability are observed in both redox states and result from the presence of six additional residues at the amino-terminus. The two forms of cytochrome b5 do not differ significantly in structure with the results suggesting that the reorganisation energy (λ) of the variant protein, as measured indirectly from redox-linked differences in conformational stability, is small. Consequently the reported subtle differences in reactivity between variants of cytochrome b5 may result from the presence of additional N-terminal residues on the surface of the protein

Spectral function of the Anderson impurity model at finite temperatures

Using the functional renormalization group (FRG) and the numerical renormalization group (NRG), we calculate the spectral function of the Anderson impurity model at zero and finite temperatures. In our FRG scheme spin fluctuations are treated non-perturbatively via a suitable Hubbard-Stratonovich field, but vertex corrections are neglected. A comparison with our highly accurate NRG results shows that this FRG scheme gives a quantitatively good description of the spectral line-shape at zero and finite temperatures both in the weak and strong coupling regimes, although at zero temperature the FRG is not able to reproduce the known exponential narrowing of the Kondo resonance at strong coupling.Comment: 6 pages, 3 figures; new references adde

Kondo effect in spin-orbit mesoscopic interferometers

We consider a flux-threaded Aharonov-Bohm ring with an embedded quantum dot coupled to two normal leads. The local Rashba spin-orbit interaction acting on the dot electrons leads to a spin-dependent phase factor in addition to the Aharonov-Bohm phase caused by the external flux. Using the numerical renormalization group method, we find a splitting of the Kondo resonance at the Fermi level which can be compensated by an external magnetic field. To fully understand the nature of this compensation effect, we perform a scaling analysis and derive an expression for the effective magnetic field. The analysis is based on a tight-binding model which leads to an effective Anderson model with a spin-dependent density of states for the transformed lead states. We find that the effective field originates from the combined effect of Rashba interaction and magnetic flux and that it contains important corrections due to electron-electron interactions. We show that the compensating field is an oscillatory function of both the spin-orbit and the Aharonov-Bohm phases. Moreover, the effective field never vanishes due to the particle-hole symmetry breaking independently of the gate voltage.Comment: 9 pages, 5 figure

From Coulomb blockade to the Kondo regime in a Rashba dot

We investigate the electronic transport in a quantum wire with localized Rashba interaction. The Rashba field forms quasi-bound states which couple to the continuum states with an opposite spin direction. The presence of this Rashba dot causes Fano-like antiresonances and dips in the wire's linear conductance. The Fano lineshape arises from the interference between the direct transmission channel along the wire and the hopping through the Rashba dot. Due to the confinement, we predict the observation of large charging energies in the local Rashba region which lead to Coulomb-blockade effects in the transport properties of the wire. Importantly, the Kondo regime can be achieved with a proper tuning of the Rashba interaction, giving rise to an oscillating linear conductance for a fixed occupation of the Rashba dot.Comment: 6 pages, 3 figures; presentation improved, discussions extended. Published versio

Workplace Intervention for Reducing Sitting Time in Sedentary Workers: Protocol for a Pilot Study Using the Behavior Change Wheel

The workplace is a major contributor to excessive sitting in office workers. There are a wide array of adverse effects of high volumes of sitting time, including an increased risk of type 2 diabetes and depression. Active workstations can be used in effective interventions to decrease workplace sitting. However, there are a lack of interventions that have been developed using a systematic process that is informed by participant needs and a framework for identifying the most appropriate content for the intervention. Applying these methods could increase adherence and potential effectiveness of the intervention. Therefore, the purpose of this pilot study is to examine the feasibility, acceptability, and efficacy of a tailored workplace intervention to reduce and break up sitting in office workers that has been developed using the Behavior Change Wheel and the APEASE (Acceptability, Practicability, Effectiveness/cost-effectiveness, Affordability, Safety/side-effects, Equity) criteria. This article reports the protocol for this study that is currently ongoing. Participants will be cluster-randomized (by offices) to control and intervention groups. The evaluation of the intervention includes determining feasibility by assessing participant recruitment, retention and data completion rates. Adherence to the intervention will be assessed based on daily sitting and standing time relative to guidelines provided to participants as part of the intervention. Outcome measures also include productivity measured using Ecological Momentary Assessment, absenteeism, presenteeism, cardiometabolic risk markers, and wellbeing. The findings of this study will inform the effective design and implementation of interventions for reducing and breaking up sitting in office workers

Non-Equilibrium Quantum Dissipation

Dissipative processes in non-equilibrium many-body systems are fundamentally different than their equilibrium counterparts. Such processes are of great importance for the understanding of relaxation in single molecule devices. As a detailed case study, we investigate here a generic spin-fermion model, where a two-level system couples to two metallic leads with different chemical potentials. We present results for the spin relaxation rate in the nonadiabatic limit for an arbitrary coupling to the leads, using both analytical and exact numerical methods. The non-equilibrium dynamics is reflected by an exponential relaxation at long times and via complex phase shifts, leading in some cases to an "anti-orthogonality" effect. In the limit of strong system-lead coupling at zero temperature we demonstrate the onset of a Marcus-like Gaussian decay with {\it voltage difference} activation. This is analogous to the equilibrium spin-boson model, where at strong coupling and high temperatures the spin excitation rate manifests temperature activated Gaussian behavior. We find that there is no simple linear relationship between the role of the temperature in the bosonic system and a voltage drop in a non-equilibrium electronic case. The two models also differ by the orthogonality-catastrophe factor existing in a fermionic system, which modifies the resulting lineshapes. Implications for current characteristics are discussed. We demonstrate the violation of pair-wise Coulomb gas behavior for strong coupling to the leads. The results presented in this paper form the basis of an exact, non-perturbative description of steady-state quantum dissipative systems

Perceived barriers and facilitators to breaking up sitting time among desk-based office workers: a qualitative investigation using the TDF and COM-B

High amounts of sedentary behaviour, such as sitting, can lead to adverse health consequences. Interventions to break up prolonged sitting in the workplace have used active workstations, although few studies have used behaviour change theory. This study aimed to combine the Theoretical Domains Framework (TDF) and the Capability, Opportunity, and Motivation to Behaviour system (COM-B) to investigate perceived barriers and facilitators to breaking up sitting in desk-based office workers. Semi-structured interviews with 25 desk-based employees investigated barriers and facilitators to breaking up sitting in the workplace. Seven core inductive themes were identified: ‘Knowledge-deficit sitting behaviour’, ‘Willingness to change’, ‘Tied to the desk’, ‘Organisational support and interpersonal influences’, ‘Competing motivations’, ‘Emotional influences’, and ‘Inadequate cognitive resources for action’. These themes were then deductively mapped to 11 of the 14 TDF domains and five of the six COM-B constructs. Participants believed that high amounts of sitting had adverse consequences but lacked knowledge regarding recommendations and were at times unmotivated to change. Physical and social opportunities were identified as key influences, including organisational support and height-adjustable desks. Future research should identify intervention functions, policy categories and behaviour change techniques to inform tailored interventions to change sitting behaviour of office workers

Renormalization group study of capacitively coupled double quantum dots

The numerical renormalization group is employed to study a double quantum (DQD) dot system consisting of two equivalent single-level dots, each coupled to its own lead and with a mutual capacitive coupling embodied in an interdot interaction U', in addition to the intradot Coulomb interaction U. We focus on the regime with two electrons on the DQD, and the evolution of the system on increasing U'/U. The spin-Kondo effect arising for U'=0 (SU(2) x SU(2)) is found to persist robustly with increasing U'/U, before a rapid but continuous crossover to (a) the SU(4) point U'=U where charge and spin degrees of freedom are entangled and the Kondo scale strongly enhanced; and then (b) a charge-Kondo state, in which a charge-pseudospin is quenched on coupling to the leads/conduction channels. A quantum phase transition of Kosterlitz-Thouless type then occurs from this Fermi liquid, strong coupling (SC) phase, to a broken symmetry, non-Fermi liquid charge ordered (CO) phase at a critical U'_c. Our emphasis in this paper is on the structure, stability and flows between the underlying RG fixed points, on the overall phase diagram in the (U,U')-plane and evolution of the characteristic low-energy Kondo scale inherent to the SC phase; and on static physical properties such as spin- and charge-susceptibilities (staggered and uniform), including universality and scaling behaviour in the strongly correlated regime. Some exact results for associated Wilson ratios are also obtained.Comment: 27 pages, 12 figure

Fractal time series analysis of postural stability in elderly and control subjects

<p>Abstract</p> <p>Background</p> <p>The study of balance using stabilogram analysis is of particular interest in the study of falls. Although simple statistical parameters derived from the stabilogram have been shown to predict risk of falls, such measures offer little insight into the underlying control mechanisms responsible for degradation in balance. In contrast, fractal and non-linear time-series analysis of stabilograms, such as estimations of the Hurst exponent (H), may provide information related to the underlying motor control strategies governing postural stability. In order to be adapted for a home-based follow-up of balance, such methods need to be robust, regardless of the experimental protocol, while producing time-series that are as short as possible. The present study compares two methods of calculating H: Detrended Fluctuation Analysis (DFA) and Stabilogram Diffusion Analysis (SDA) for elderly and control subjects, as well as evaluating the effect of recording duration.</p> <p>Methods</p> <p>Centre of pressure signals were obtained from 90 young adult subjects and 10 elderly subjects. Data were sampled at 100 Hz for 30 s, including stepping onto and off the force plate. Estimations of H were made using sliding windows of 10, 5, and 2.5 s durations, with windows slid forward in 1-s increments. Multivariate analysis of variance was used to test for the effect of time, age and estimation method on the Hurst exponent, while the intra-class correlation coefficient (ICC) was used as a measure of reliability.</p> <p>Results</p> <p>Both SDA and DFA methods were able to identify differences in postural stability between control and elderly subjects for time series as short as 5 s, with ICC values as high as 0.75 for DFA.</p> <p>Conclusion</p> <p>Both methods would be well-suited to non-invasive longitudinal assessment of balance. In addition, reliable estimations of H were obtained from time series as short as 5 s.</p

Three-terminal transport through a quantum dot in the Kondo regime: Conductance, dephasing, and current-current correlations

We investigate the nonequilibrium transport properties of a three-terminal quantum dot in the strongly interacting limit. At low temperatures, a Kondo resonance arises from the antiferromagnetic coupling between the localized electron in the quantum dot and the conduction electrons in source and drain leads. It is known that the local density of states is accessible through the differential conductance measured at the (weakly coupled) third lead. Here, we consider the multiterminal current-current correlations (shot noise and cross correlations measured at two different terminals). We discuss the dependence of the current correlations on a number of external parameters: bias voltage, magnetic field and magnetization of the leads. When the Kondo resonance is split by fixing the voltage bias between two leads, the shot noise shows a nontrivial dependence on the voltage applied to the third lead. We show that the cross correlations of the current are more sensitive than the conductance to the appearance of an external magnetic field. When the leads are ferromagnetic and their magnetizations point along opposite directions, we find a reduction of the cross correlations. Moreover, we report on the effect of dephasing in the Kondo state for a two-terminal geometry when the third lead plays the role of a fictitious voltage probe.Comment: 10 pages, 8 figures; title changed, presentation improved, references adde