Real-time non-adiabatic dynamics in the one-dimensional Holstein model: Trajectory-based vs exact methods.

We benchmark a set of quantum-chemistry methods, including multitrajectory Ehrenfest, fewest-switches surface-hopping, and multiconfigurational-Ehrenfest dynamics, against exact quantum-many-body techniques by studying real-time dynamics in the Holstein model. This is a paradigmatic model in condensed matter theory incorporating a local coupling of electrons to Einstein phonons. For the two-site and three-site Holstein model, we discuss the exact and quantum-chemistry methods in terms of the Born-Huang formalism, covering different initial states, which either start on a single Born-Oppenheimer surface, or with the electron localized to a single site. For extended systems with up to 51 sites, we address both the physics of single Holstein polarons and the dynamics of charge-density waves at finite electron densities. For these extended systems, we compare the quantum-chemistry methods to exact dynamics obtained from time-dependent density matrix renormalization group calculations with local basis optimization (DMRG-LBO). We observe that the multitrajectory Ehrenfest method, in general, only captures the ultrashort time dynamics accurately. In contrast, the surface-hopping method with suitable corrections provides a much better description of the long-time behavior but struggles with the short-time description of coherences between different Born-Oppenheimer states. We show that the multiconfigurational Ehrenfest method yields a significant improvement over the multitrajectory Ehrenfest method and can be converged to the exact results in small systems with moderate computational efforts. We further observe that for extended systems, this convergence is slower with respect to the number of configurations. Our benchmark study demonstrates that DMRG-LBO is a useful tool for assessing the quality of the quantum-chemistry methods.

Nonequilibrium Mass Transport in the 1D Fermi-Hubbard Model.

We experimentally and numerically investigate the sudden expansion of fermions in a homogeneous one-dimensional optical lattice. For initial states with an appreciable amount of doublons, we observe a dynamical phase separation between rapidly expanding singlons and slow doublons remaining in the trap center, realizing the key aspect of fermionic quantum distillation in the strongly interacting limit. For initial states without doublons, we find a reduced interaction dependence of the asymptotic expansion speed compared to bosons, which is explained by the interaction energy produced in the quench.

Thermal Conductivity of the One-Dimensional Fermi-Hubbard Model.

We study the thermal conductivity of the one-dimensional Fermi-Hubbard model at a finite temperature using a density matrix renormalization group approach. The integrability of this model gives rise to ballistic thermal transport. We calculate the temperature dependence of the thermal Drude weight at half filling for various interaction strengths. The finite-frequency contributions originating from the fact that the energy current is not a conserved quantity are investigated as well. We report evidence that breaking the integrability through a nearest-neighbor interaction leads to vanishing Drude weights and diffusive energy transport. Moreover, we demonstrate that energy spreads ballistically in local quenches with initially inhomogeneous energy density profiles in the integrable case. We discuss the relevance of our results for thermalization in ultracold quantum-gas experiments and for transport measurements with quasi-one-dimensional materials.

Spontaneous Increase of Magnetic Flux and Chiral-Current Reversal in Bosonic Ladders: Swimming against the Tide.

The interplay between spontaneous symmetry breaking in many-body systems, the wavelike nature of quantum particles and lattice effects produces an extraordinary behavior of the chiral current of bosonic particles in the presence of a uniform magnetic flux defined on a two-leg ladder. While noninteracting as well as strongly interacting particles, stirred by the magnetic field, circulate along the system's boundary in the counterclockwise direction in the ground state, interactions stabilize vortex lattices. These states break translational symmetry, which can lead to a reversal of the circulation direction. Our predictions could readily be accessed in quantum gas experiments with existing setups or in arrays of Josephson junctions.

Dynamical Quasicondensation of Hard-Core Bosons at Finite Momenta.

Long-range order in quantum many-body systems is usually associated with equilibrium situations. Here, we experimentally investigate the quasicondensation of strongly interacting bosons at finite momenta in a far-from-equilibrium case. We prepare an inhomogeneous initial state consisting of one-dimensional Mott insulators in the center of otherwise empty one-dimensional chains in an optical lattice with a lattice constant d. After suddenly quenching the trapping potential to zero, we observe the onset of coherence in spontaneously forming quasicondensates in the lattice. Remarkably, the emerging phase order differs from the ground-state order and is characterized by peaks at finite momenta ±(π/2)(ℏ/d) in the momentum distribution function.

Inducing spin correlations and entanglement in a double quantum dot through nonequilibrium transport.

For a double quantum dot system in a parallel geometry, we demonstrate that by combining the effects of a flux and driving an electrical current through the structure, the spin correlations between electrons localized in the dots can be controlled at will. In particular, a current can induce spin correlations even if the spins are uncorrelated in the initial equilibrium state. Therefore, we are able to engineer an entangled state in this double-dot structure. We take many-body correlations fully into account by simulating the real-time dynamics using the time-dependent density matrix renormalization group method. Using a canonical transformation, we provide an intuitive explanation for our results, related to Ruderman-Kittel-Kasuya-Yoshida physics driven by the bias.

Expansion dynamics of interacting bosons in homogeneous lattices in one and two dimensions.

We experimentally and numerically investigate the expansion of initially localized ultracold bosons in homogeneous one- and two-dimensional optical lattices. We find that both dimensionality and interaction strength crucially influence these nonequilibrium dynamics. While the atoms expand ballistically in all integrable limits, deviations from these limits dramatically suppress the expansion and lead to the appearance of almost bimodal cloud shapes, indicating diffusive dynamics in the center surrounded by ballistic wings. For strongly interacting bosons, we observe a dimensional crossover of the dynamics from ballistic in the one-dimensional hard-core case to diffusive in two dimensions, as well as a similar crossover when higher occupancies are introduced into the system.

Long-time behavior of the momentum distribution during the sudden expansion of a spin-imbalanced Fermi gas in one dimension.

We study the sudden expansion of spin-imbalanced ultracold lattice fermions with attractive interactions in one dimension after turning off the longitudinal confining potential. We show that the momentum distribution functions of majority and minority fermions quickly approach stationary values due to a quantum distillation mechanism that results in a spatial separation of pairs and majority fermions. As a consequence, Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) correlations are lost during the expansion. Furthermore, we argue that the shape of the stationary momentum distribution functions can be understood by relating them to the integrals of motion in this integrable quantum system. We discuss our results in the context of proposals to observe FFLO correlations, related to recent experiments by Liao et al., Nature (London) 467, 567 (2010).

Increased dopaminergic neurotransmission in therapy-naïve asymptomatic HIV patients is not associated with adaptive changes at the dopaminergic synapses.

Central dopaminergic (DA) systems are affected during human immunodeficiency virus (HIV) infection. So far, it is believed that they degenerate with progression of HIV disease because deterioration of DA systems is evident in advanced stages of infection. In this manuscript we found that (a) DA levels are increased and DA turnover is decreased in CSF of therapy-naïve HIV patients in asymptomatic infection, (b) DA increase does not modulate the availability of DA transporters and D2-receptors, (c) DA correlates inversely with CD4+ numbers in blood. These findings show activation of central DA systems without development of adaptive responses at DA synapses in asymptomatic HIV infection. It is probable that DA deterioration in advanced stages of HIV infection may derive from increased DA availability in early infection, resulting in DA neurotoxicity. Our findings provide a clue to the synergism between DA medication or drugs of abuse and HIV infection to exacerbate and accelerate HIV neuropsychiatric disease, a central issue in the neurobiology of HIV.

Biostatistical analysis of gene microarrays reveals diverse expression clusters between macaque subspecies in brain SIV infection.

In this study we investigated differences in the gene expression profiling of the brains of rhesus macaques that were uninfected or infected with SIV in the asymptomatic stage or AIDS. The main aim was to use biostatistical methods to classify brain gene expression following SIV infection, without consideration of the biological significance of the individual genes. We also used data from animals treated with different pharmacological substances such as dopaminergic drugs, N-methyl-D-aspartate (NMDA) antagonists or antioxidants during the early stage of infection as these animals exhibited an accelerated or attenuated neuropsychiatric disease progression. We found macaque subspecies to be a more important factor for disease classification based on gene expression profiling than clinical symptoms or neuropathological findings. It is noteworthy that SIV-infected pharmacologically-treated. Chinese animals clustered near uninfected animals independent on the outcome of the treatment, whereas untreated SIV infected animals were clustered in a separate subtree. It is clear from this study that NeuroAIDS is a diverse disease entity and that SIV brain genes can be differentially regulated, depending on the disease type as well as changed dependent on the monkey subspecies.

[Radiotherapeutic management of lymphatic fistulas : An effective but disregarded therapy option]. / Strahlentherapeutisches Management von Lymphfisteln : Eine effektive, aber wenig beachtete Therapieoption.

BACKGROUND: Lymphatic fistulas and lymphoceles are known complications after vascular surgery of the groin and after extended surgical interventions in the pelvic region. Unfortunately, conservative standard therapies are not always successful. OBJECTIVES: Evaluation of the therapeutic efficacy and related side effects of percutaneous low-dose irradiation in patients with lymphorrhea and definition of its importance. MATERIAL AND METHODS: Current presentation of previously published case series, reviews and guidelines. RESULTS: The use of low-dose irradiation therapy with single doses of 0.3-0.5 Gy leads to a cessation of the lymphatic flow in a high percentage of patients when standard therapies do not show a sufficient effect. With cessation of lymphorrhea irradiation should be terminated. Acute side effects have not been reported and the risk of tumor induction is almost negligible. CONCLUSION: Low-dose irradiation is an effective and very well-tolerated therapeutic alternative in the treatment of lymphatic fistulas and lymphorrhea when conservative therapies are unsuccessful.

Hyperoxic ventilation enables hemodilution beyond the critical myocardial hemoglobin concentration.

BACKGROUND: When initiated in anemic hypoxia, hyperoxic ventilation (ventilation with pure O2, FiO2 1.0, HV) reverses hypoxia-induced ECG-changes and enables survival for several hours. The quantification of the HV-induced gain in anemia tolerance and particularly the Hb-equivalent of HV in this situation are unknown. METHODS: Nine anaesthetized pigs were hemodiluted under normoxia (FiO2 0.21) by exchange of whole blood for hydroxyethyl starch (HES) until predefined, ischemia associated ECG-changes occurred (timepoint Hb(crit)). From that time on all animals were ventilated with 100% O2 (FiO2 1.0). In the case of disappearance of the ECG changes with onset of HV, the animals were further hemodiluted until ECG changes reoccurred. RESULTS: HV initiated in anemic hypoxia (Hb 2.3 +/- 0.2 g/dl) improved ECG-readings of all animals, and allowed for a further exchange of 14 +/- 11 ml/kg blood until ECG-changes reoccurred at Hb 1.2 +/- 0.4 g/dl. CONCLUSION: HV initiated in anemic hypoxia creates a margin of safety for myocardial tissue oxygenation and thus further increases anemia tolerance. The Hb equivalent of HV in this situation amounts to approximately 1g/dl.

Procalcitonin: a new marker for diagnosis of acute rejection and bacterial infection in patients after heart and lung transplantation.

UNLABELLED: The aim of the study was to investigate the reliability of procalcitonin (PCT), a new potential marker for detection of bacterial, fungal and protozoal infections, in order to differentiate these from viral infections and early rejections in heart, heart-lung and lung transplanted patients. PCT is a propeptide of calcitonin with unknown origin which is not detectable in plasma of healthy subjects. It increases rapidly and significantly under severe microbial infections. METHODS: PCT plasma levels were measured using an immuno-luminescence assay. C-reactive protein and white blood cells were quantified to validate the PCT values. RESULTS: Increased levels of PCT were found in all transplant patients with bacterial, fungal and protozoal infections. The magnitude of the values were clearly associated with the severity of the infection. Trauma of operation or inflammatory events such as viral infections and rejections did not trigger PCT-production. The release of PCT did not depend on the type of pathogens even though Aspergillum resulted in the highest levels measured. Sensitivity, specificity and prognostic value of PCT for systemic infections were higher than of the other parameters investigated. CONCLUSION: PCT is a highly specific analyte which shows significant diagnostic validities when nonviral infections are compared with rejection episodes. PCT discriminates between inflammatory events such as rejection or viral infections and nonviral-infections including bacterial, fungal and protozoal infections. The half-life of PCT is 24 h indicating clearly a competent antibiotic treatment. Unnecessary antibiotic therapy can be avoided due to the early exclusion of bacterial and fungal infections.

Effects of primary resuscitation from shock on distribution of myocardial blood flow.

Hemorrhagic shock alters heterogeneity of regional myocardial perfusion (RMP) in the presence of critical coronary stenosis in pigs. Conventional resuscitation has failed to reverse these effects. We hypothesized that improvement of the resuscitation regime would lead to restoration of RMP heterogeneity. Diaspirin-cross-linked hemoglobin (10 g/dl; DCLHb) and human serum albumin (8.0 g/dl; HSA) were used. After baseline, a branch of the left coronary artery was stenosed; thereafter, hemorrhagic shock was induced. Resuscitation was performed with either DCLHb or HSA. At baseline, the fractcal dimension (D) of subendocardial myocardium was 1.31 +/- 0.083 (HSA) and 1.35 +/- 0.106 (DCLHb) (mean +/- SD). Coronary stenosis increased subendocardial D slightly but consistently only in the DCLHb group (1.39 +/- 0.104; P < 0.05). Shock reduced subendocardial D: 1.21 +/- 0.093 (HSA; P = 0.10), 1.25 +/- 0.092 (DCLHb; P < 0.05). Administration of DCLHb increased subendocardial D in 7 of 10 animals (1.31 +/- 0.097; P = 0.066). HSA was ineffective in this respect. DCLHb infusion restored arterial pressure and increased cardiac index (CI) to 80% of baseline values. Administration of HSA left animals hypotensive (69 mmHg) and increased CI to 122% of the average baseline value. Shock-induced disturbances of the distribution of RMP were improved by administration of DCLHb but not by HSA.

Inhaled nitric oxide induces cerebrovascular effects in anesthetized pigs.

Although inhaled nitric oxide (NO(i)) is considered to act selectively on pulmonary vessels, EEG abnormalities and even occasional neurotoxic effects of NO(i) have been proposed. Here, we investigated cerebrovascular effects of increasing concentrations of 5, 10 and 50 ppm NO(i) in seven anesthetized pigs. Cerebral hemodynamics were assessed non-invasively by use of near-infared spectroscopy and indicator dilution techniques. NO(i) increased cerebral blood volume significantly and reversibly. This effect was not attributable to changes of macrohemodynamic parameters or arterial blood gases. Simultaneously, cerebral transit time increased while cerebral blood flow remained unchanged. These data demonstrate a vasodilatory action of NO(i) in the cerebral vasculature, which may occur preferentially in the venous compartment.

Hyperoxic ventilation at the critical haematocrit.

OBJECTIVE: During normovolaemic haemodilution arterial O(2)-content decreases exponentially. Nevertheless, tissue oxygenation is first maintained initially by increased organ perfusion and O(2)-extraction. As soon as these compensatory mechanisms are exhausted, myocardial ischaemia and tissue hypoxia occur at an individual 'critical' haematocrit (Hct) value. This study was conducted in order to assess whether tissue hypoxia at the critical Hct is reversed by hyperoxic ventilation with 100% O(2). METHOD: Eighteen anaesthetized pigs were ventilated with room air and were hemodiluted by 1:1 exchange of blood with 6% pentastarch to their individual critical Hct (onset of myocardial ischaemia; significant ECG changes). At the critical Hct, hyperoxic ventilation was initiated. In nine complete datasets, global O(2) delivery and consumption, local tissue O(2) partial pressure (tpO(2)) (MDO-Electrode, Eschweiler, Kiel, Germany) and organ blood flow (microsphere method) in skeletal muscle were analyzed at baseline, after haemodilution to the critical Hct and after 15 min of hyperoxic ventilation. RESULTS: At the critical Hct (7.2+/-1.2%), tpO(2) was reduced from 23+/-3 to 10+/-2 Torr with 50% of all values in the hypoxic range (<10 Torr, all P<0.05). During hyperoxic ventilation, contribution of physically dissolved O(2) to the O(2) delivery and O(2) consumption increased by 400 and 563% (P<0.05) and instantly restored tpO(2) to 18+/-2 Torr, (hypoxic values 25%, P<0.05). CONCLUSION: Hyperoxic ventilation reversed tissue hypoxia at the critical Hct due to preferential utilization of plasma O(2) and allowed temporary preservation of tissue oxygenation. During haemodilution, hyperoxic ventilation might offer an effective bridge until red cells are ready for transfusion.

Results of biventricular repair of congenital cardiac malformations: definitive corrective surgery?

OBJECTIVES: Congenital cardiac malformations are usually corrected in the neonatal period or in early infancy. Corrective surgery may not always be definitive, especially in complex malformations. Long-term morbidity is influenced by reoperations and their risk. METHODS: This study analyzes our single-center experience over more than 20 years in a selected group of patients. Data were gathered, with special focus on causes and incidence for reoperations, respectively. RESULTS: Freedom from reoperation after 5, 10, and 15 years for each cardiac malformation was determined. The numbers describe in the following order patient years (y), number of patients (n), and freedom from reoperation at follow-up interval (%), respectively: atrial septal defect (15,864y, n=1198, 99+/-0/99+/-0/99+/-0), partial atrioventricular septal defect (2506y, n=234, 95+/-2/93+/-2/93+/-2), total anomalous pulmonary venous connection (742y, n=141, 93+/-1/91+/-0/91+/-0), complete atrioventricular septal defect (1715y, n=377, 81+/-3/76+/-3/72+/-4), tetralogy of Fallot <1 year (1503y, n=197, 94+/-4/85+/-1/74+/-3), transposition of great arteries (1459y, n=375, 88+/-2/83+/-4/73+/-7), interrupted aortic arch (IAA) (481y, n=98, 63+/-6/52+/-7/45+/-8), common arterial trunk (CAT) (599y, n=109, 64+/-6/24+/-6/11+/-5). CONCLUSIONS: In most congenital malformations surgical correction is definitive and the rate of reoperations is low. In complex anomalies, such as CAT and IAA, reoperations at long-term are more common. Analysis of such results and recognition of a sometimes inevitable operative morbidity helps to predict long-term outcome and influences the follow-up.

Calculation is unsuitable for determination of O2-consumption (VO2) in case of O2-supply-dependency.

BACKGROUND: When O2-delivery to tissues is critically reduced, O2-consumption becomes dependent on O2-delivery and starts to decline, which reflects tissue hypoxia. In order to timely detect tissue hypoxia prior to organ damage, O2-consumption may be calculated or measured from respiratory gases. We have assessed reproducibility of calculated and measured O2-consumption-data and their agreement during O2-supply-dependency. METHOD: Data of 31 anesthetized, ventilated pigs were analysed retrospectively. Animals had undergone either controlled hemorrhage ("shock") or isovolemic exchange of blood with colloids (extreme hemodilution, "HD") until O2-consumption had become dependent on O2-delivery. O2-consumption was calculated from the Fick equation and measured simultaneously with a DELTATRAC II metabolic monitor. Repeatability was determined for (1) calculated and (2) for measured.VO2 -values and (3) for input variables of the Fick equation (i.e. cardiac index (CI) and arteriovenous O2-content difference (CaO2-CvO2)). Bias between calculated and measured data and precision of calculation were assessed from paired O2-consumption-values obtained before and after induction of O2-supply-dependency via hemorrhage or extreme hemodilution. RESULTS: Repeatability of the reversed Fick method was inferior to repeatability of measurement (27 vs 15%) due to error propagation from CI and (CaO2-CvO2). Between-method-bias at baseline ("BL") was 3%, and changed in case of O2-supply-dependency (shock -15%; HD -31%, both p<0.05 vs BL), precision of the reversed Fick method deteriorated (BL 32%; shock 60%; HD 60%) due to variability of CI (CV: 16%; shock 27%; HD 41%). CONCLUSION: In anesthetized pigs calculated and measured O2-consumption values are in agreement, while in presence of O2-supply-dependency the reversed Fick method (1) grossly underestimates true O2-consumption and (2) precision deteriorates not allowing to verify or reject the presence of tissue hypoxia.

Three-dimensional visualization of lung blood flow heterogeneity based on fluorescent microsphere technique and fractal dimension: The Blood Flow Analysis System - BFA System.

The heterogeneity of regional pulmonary blood flow (RPBF) can be assessed by fractal analysis. The fractal dimension (FD) is a scale-independent measure of spatial heterogeneity of blood flow. The relative dispersion (RD) is often used to obtain the heterogeneity of RPBF but it is influenced by the resolution of measurement. The Blood Flow Analysis (BFA) System was developed in Delphi to represent the three-dimensional structure of lung blood flow and calculates statistics of FD, RD, spatial correlation of neighbored tissue samples and shows histograms of blood flows at diverse time points during different experiments. The BFA System reads a text file with flows, measured with fluorescent microsphere technique, and constructs the lung anatomy with volumetric pixels showing the flows with a color schema. It is possible to rotate the lungs into two axis (XY) and the statistics are shown with 3D graphics. The System maintains a database with data from various studies at same time. The BFA System was validated with four data sets from previous experiments. The BFA System has shown consistency and it is a new tool to help researchers during lung perfusion studies.