Operator Growth in Open Quantum Systems.

The spreading of quantum information in closed systems, often termed scrambling, is a hallmark of many-body quantum dynamics. In open systems, scrambling competes with noise, errors, and decoherence. Here, we provide a universal framework that describes the scrambling of quantum information in open systems: we predict that the effect of open-system dynamics is fundamentally controlled by operator size distributions and independent of the microscopic error mechanism. This framework allows us to demonstrate that open quantum systems exhibit universal classes of information dynamics that fundamentally differ from their unitary counterparts. Implications for the Loschmidt echo, nuclear magnetic resonance experiments, and the classical simulability of open quantum dynamics will be discussed.

Spatial Neglect Therapy With the Augmented Reality App "Negami" for Active Exploration Training: A Randomized Controlled Trial on 20 Stroke Patients With Spatial Neglect.

OBJECTIVE: To investigate the efficacy of the augmented reality (AR) app "Negami" as an active exploration training for the treatment of spatial neglect. Improvements of the ipsilesional attention and orientation bias (and resulting contralesional neglect) will be examined in stroke patients with spatial neglect and compared with a control group. DESIGN: Randomized controlled trial with an experimental Negami group, consisting of patients with spatial neglect, and a group of neglect patients receiving standard neglect therapy. SETTING: Three rehabilitation hospitals. PARTICIPANTS: Twenty right hemispheric stroke patients with spatial neglect (N=20). INTERVENTION: Over a period of 2 weeks, both groups received 5 training sessions per week (à 25 minutes). Neglect behavior was assessed weekly over a 5-week period, with the Negami therapy group receiving a second follow-up assessment at 1-to-2-month intervals after completion of training. MAIN OUTCOME MEASURES: Letter Cancellation, Bells Test, Copying Task, Line Bisection Task, and a self-developed "Exploration Test". RESULTS: Both groups improved significantly. While the Negami therapy group improved in 4 of 5 neglect tests used, the standard therapy group improved in only 1 of these tests. We observed significantly better improvement in the Negami group already after the first week of training. This difference was also significant after the end of the training as well as 1 week after the end of training and remained stable 1-2 months after the end of treatment. CONCLUSION: Negami can be used as an effective alternative or addition to current standard neglect therapy, and may even be superior to it.

Negami: An Augmented Reality App for the Treatment of Spatial Neglect After Stroke.

BACKGROUND: A widely applied and effective rehabilitation method for patients experiencing spatial neglect after a stroke is "visual exploration training." Patients improve their ipsilesional bias of attention and orientation by training exploration movements and search strategies toward the contralesional side of space. In this context, gamification can have a positive influence on motivation for treatment and thus on the success of treatment. In contrast to virtual reality applications, treatment enhancements through augmented reality (AR) have not yet been investigated, although they offer some advantages over virtual reality. OBJECTIVE: This study aimed to develop an AR-based app (Negami) for the treatment of spatial neglect that combines visual exploration training with active, contralesionally oriented rotation of the eyes, head, and trunk. METHODS: The app inserts a virtual element (origami bird) into the real space surrounding the patient, which the patient explores with the camera of a tablet. Subjective reports from healthy elderly participants (n=10) and patients with spatial neglect after stroke (n=10) who trained with the new Negami app were analyzed. Usability, side effects, and game experience were assessed by various questionnaires. RESULTS: Training at the highest defined difficulty level was perceived as differently challenging but not as frustrating by the group of healthy elderly participants. The app was rated with high usability, hardly any side effects, high motivation, and entertainment. The group of patients with spatial neglect after stroke consistently evaluated the app positively on the dimensions of motivation, satisfaction, and fun. CONCLUSIONS: The Negami app represents a promising extension by adding AR to traditional exploration training for spatial neglect. Through participants' natural interaction with the physical surrounding environment during playful tasks, side effects as symptoms of cybersickness are minimized and patients' motivation appeared to markedly increase. The use of AR in cognitive rehabilitation programs and the treatment of spatial neglect seems promising and should receive further investigation.

Realizing Hopf Insulators in Dipolar Spin Systems.

The Hopf insulator is a weak topological insulator characterized by an insulating bulk with conducting edge states protected by an integer-valued linking number invariant. The state exists in three-dimensional two-band models. We demonstrate that the Hopf insulator can be naturally realized in lattices of dipolar-interacting spins, where spin exchange plays the role of particle hopping. The long-ranged, anisotropic nature of the dipole-dipole interactions allows for the precise detail required in the momentum-space structure, while different spin orientations ensure the necessary structure of the complex phases of the hoppings. Our model features robust gapless edge states at both smooth edges, as well as sharp edges obeying a certain crystalline symmetry, despite the breakdown of the two-band picture at the latter. In an accompanying paper [T. Schuster et al., Phys. Rev. A 103, AW11986 (2021)PLRAAN2469-9926] we provide a specific experimental blueprint for implementing our proposal using ultracold polar molecules of ^{40}K^{87}Rb.

Floquet Hopf Insulators.

We predict the existence of a Floquet topological insulator in three-dimensional two-band systems, the Floquet Hopf insulator, which possesses two distinct topological invariants. One is the Hopf Z invariant, a linking number characterizing the (nondriven) Hopf topological insulator. The second invariant is an intrinsically Floquet Z_{2} invariant, and represents a condensed matter realization of the topology underlying the Witten anomaly in particle physics. Both invariants arise from topological defects in the system's time evolution, subject to a process in which defects at different quasienergies exchange even amounts of topological charge. Their contrasting classifications lead to a measurable physical consequence, namely, an unusual bulk-boundary correspondence where gapless edge modes are topologically protected, but may exist at either 0 or π quasienergy. Our results represent a phase of matter beyond the conventional classification of Floquet topological insulators.

Non-Abelian Braiding of Light.

Many topological phenomena first proposed and observed in the context of electrons in solids have recently found counterparts in photonic and acoustic systems. In this work, we demonstrate that non-Abelian Berry phases can arise when coherent states of light are injected into "topological guided modes" in specially fabricated photonic waveguide arrays. These modes are photonic analogues of topological zero modes in electronic systems. Light traveling inside spatially well-separated topological guided modes can be braided, leading to the accumulation of non-Abelian phases, which depend on the order in which the guided beams are wound around one another. Notably, these effects survive the limit of large photon occupation, and can thus also be understood as wave phenomena arising directly from Maxwell's equations, without resorting to the quantization of light. We propose an optical interference experiment as a direct probe of this non-Abelian braiding of light.

Poly(isobutylene) nanoparticles via cationic polymerization in nonaqueous emulsions.

The preparation of poly(isobutylene) (PIB) nanoparticles via cationic emulsion polymerization is presented. As a requirement, an oil-in-perfluoroalkane nonaqueous emulsion is developed, which is inert under the carbocationic polymerization conditions. To stabilize the dichloromethane/hexane droplets in the fluorinated, continuous phase, an amphiphilic block copolymer emulsifier is prepared containing PIB and 1H,1H-perfluoroalkylated poly(pentafluorostyrene) blocks. This system allows for the polymerization of isobutylene with number-average molecular weights (Mn) up to 27,000 g mol(-1). The particle morphologies are characterized via dynamic light scattering and electron microscopy. For Mn > 20,000 g mol(-1), the particles exhibit shape-persistence at room temperature and are ≈100 nm in diameter.

Effects of chemical structure on the dynamic and static surface tensions of short-chain, multi-arm nonionic fluorosurfactants.

Fluorinated surfactants with short perfluoroalkyl chains (R(F)) as potential substitutes for the environmentally questionable, long R(F) systems are presented. Three types of nonionic hydrophilic-fluorophilic amphiphiles are synthesized and evaluated based on surface activity in equilibrated (static) and non-equilibrated (dynamic) states. Furthermore, several mono- and disaccharide-based fluorosurfactants are also examined as potential non-bioaccumulative alternatives. A correlation between the chemical structure and resulting surface properties is made by comparing R(F) length, number and size, alkyl-spacer, and hydrophilic moieties. Based on dynamic and static surface tension experiments, the effects of surfactant structure are summarized to provide a basis for the future design of fluorosurfactants. We have found that surfactants with more perfluorinated chains tend to have a higher surface tension reduction, but typically result in slower dynamic behaviors. Using the presented structural characteristics, surfactants with R(F)<4 can be prepared with static surface tensions as low as 18.1 mN/m or reduce surface tension within milliseconds.

Multicompartment micelle-structured peptide nanoparticles: a new biocompatible gene- and drug-delivery tool.

Self-assembled, biodegradable materials that embed fragile, soluble, or insoluble compounds of therapeutic interest have potential use as drug delivery systems. The bead-forming peptide Ac-X3-gT can embed hydrophobic and hydrophilic payloads. Loaded peptide beads were internalized by human acute monocytic leukemia cell line (THP-1) macrophages, THP-1 monocytes, and hepatocellular carcinoma cells (Huh7). Furthermore, paclitaxel and doxorubicin coencapsulated in the peptide beads were delivered to THP-1 monocytes, causing a decrease in cell viability due to the activity of the anticancer drugs. In addition to the bead-forming peptide Ac-X3-gT, the use of a positively charged peptide analogue increased the RNA/DNA embedding efficiency to 99% by charge compensation and micellar complexation. Internalization of the resulting gene delivery systems by Huh7 cells led to specific gene silencing either by embedded small interfering RNA or by plasmid-encoding small hairpin RNA delivered in cells. The new class of purely peptidic material caused no measurable toxicity during in vitro experiments, thereby indicating potential use as a drug delivery system for multidrug delivery and gene therapy.

Self-assembled peptide beads used as a template for ordered gold nanoparticle superstructures.

Using peptide-based materials to tailor self-assembled, nano-scaled hybrid materials with potentially high biocompatibility/biodegradability is gaining importance in developing a broad range of new applications, in areas such as diagnostics and medicine. Here, we investigated how the self-assembly ability of amphiphilic peptides can be used to create organized inorganic materials, i.e. gold nanoparticles. A bead-forming, purely peptidic amphiphile Ac-[K(Ac)]3-[W-l]3-W-NH2, containing acetylated (Ac) l-lysine (K), l-tryptophan (W) and d-leucine (l), was C-terminally modified with a l-cysteine (C) and linked to gold nanoparticles. Subsequent peptide-driven self-assembly of the peptide-coated gold nanoparticles with increasing water content led to controlled aggregation of the gold-core micelles, forming composite peptide-gold superstructures. The individual gold nanoparticles did not agglomerate but were separated from each other by a peptide film within the composite material, as revealed by electron microscopy studies. Structural investigation on 2D template-stripped gold demonstrated the ability of the peptides to form self-assembled monolayers. Structural elements of ß-turns and weak hydrogen bonding of the hydrophobic moiety of the peptide were evident, thereby suggesting that the secondary structure remains intact.

Solvent-free synthesis of microparticles on superamphiphobic surfaces.

Polymeric and composite microspheres can be synthesized without solvents or process liquids by using superamphiphobic surfaces. In this method, the repellency of superamphiphobic layers to monomers and polymer melts and the extremely low adhesion to particles are taken advantage of.

Self-assembled structures from amphiphilic peptides.

Nanotechnology and its applications are strongly influenced by structures self-assembled from a variety of different materials. This review covers nanostructures, including micelles, rod-like micelles, fibers and peptide beads, self-assembled from de novo designed amphiphilic peptides. The latter are promising candidates for the development of nanoscale carrier systems because they are completely composed of amino acids. In addition to designing primary sequences, secondary structure and external parameters are also discussed with respect to their impact on self-assembly. Moreover, the assembly process itself is examined. Potential applications range from gene and drug delivery devices to diagnostics, thereby highlighting the versatility of the system.

From fibers to micelles using point-mutated amphiphilic peptides.

Biocompatible, self-assembled nanostructures are attracting ever more attention, in particular in aqueous media for biomedical applications. Here, we present the successful, solid-phase peptide synthesis (SPPS) and characterization of short amino acid sequences with amphiphilic character with the aim of gaining insight into their self-assembled, supramolecular structures. The peptide design includes three parts: (a) a charged lysine part, (b) an acetylated lysine part, and (c) a constant hydrophobic rodlike helix, based on gramicidin A (gA). By stepwise replacement of free lysine (K) with acetylated lysine (X) we generated a library of a total of 10 peptides, Ac-X(8)-gA and K(m)X(8-m)-gA (m ranging from 0 to 8). By using point mutations, we adjusted the degree of acetylation (DA) and thus the overall amphiphilicity of the peptides, which led to a change in the secondary structure in the aqueous environment from a ß-sheet to an α-helix. This transition generated a significant change in the morphology of the self-assembled structures from fibers to micelles. Two different regions were observed for the conformation of the hydrophilic part of the peptide: one region, a ß-sheet-like secondary structure, inducing fiber formation (high DA), the other an α-helical-like secondary structure, generating micelle formation (moderate and low DA). The micellar structures depended on the degree of acetylation, which influenced their critical micelle concentration (cmc). These morphology regions were determined by a combination of circular dichroism, dynamic light scattering, surface tension, and transmission electron microscopy, which allowed us to correlate the generated supramolecular architectures with the fine changes obtained by means of the point mutation strategy.

Calcium phosphate mineralization beneath a polycationic monolayer at the air-water interface.

The self-assembly of the amphiphilic block copolymer poly(n-butyl methacrylate)-block-poly[2-(dimethylamino)ethyl methacrylate] at the air-water interface has been investigated at different pH values. Similar to Rehfeldt et al. (J. Phys. Chem. B 2006, 110, 9171), the subphase pH strongly affects the monolayer properties. The formation of calcium phosphate beneath the monolayer can be tuned by the subphase pH and hence the monolayer charge. After 12 h of mineralization at pH 5, the polymer monolayers are still transparent, but transmission electron microscopy (TEM) shows that very thin calcium phosphate fibers form, which aggregate into cotton ball-like features with diameters of 20 to 50 nm. In contrast, after 12 h of mineralization at pH 8, the polymer film is very slightly turbid and TEM shows dense aggregates with sizes between 200 and 700 nm. The formation of calcium phosphate is further confirmed by Raman and energy dispersive X-ray spectroscopy. The calcium phosphate architectures can be assigned to the monolayer charge, which is high at low pH and low at high pH. The study demonstrates that the effects of polycations should not be ignored if attempting to understand the colloid chemistry of biomimetic mineralization. It also shows that basic block copolymers are useful complementary systems to the much more commonly studied acidic block copolymer templates.

Management and outcome of patients with acute traumatic subdural hematomas and pre-injury oral anticoagulation therapy.

BACKGROUND: Acute subdural hematomas (aSDHs) are found in up to one-third of patients with severe traumatic brain injury and are associated with an unfavorable outcome in the majority of cases. Mortality ranges between 40 and 60%, but was reported to be even higher in patients undergoing oral anticoagulation therapy (OAT) at the time of injury. The objective of this study is to specifically report on the peri-operative management and outcome of patients with aSDH and pre-injury OAT. MATERIAL AND METHODS: From June 2002 to June 2006, all patients with OAT who underwent surgical treatment of aSDH were retrospectively analysed. Results of pre-operative blood tests, the peri-operative and surgical management and the clinical courses were assessed. Patient outcome is reported according to the Glasgow Outcome Scale (GOS) at 6 months. RESULTS: Eleven (10.3%) out of 107 patients with aSDH were on OAT. Patients with OAT were significantly older than patients without OAT (72.4 +/- 9.3 versus 59.9 +/- 17.5 years; p<0.05, Mann-Whitney U-test). Intensity of head trauma was moderate in four and severe in seven patients with a median pre-operative Glasgow Coma Scale (GCS) of 8. Median pre-treatment prothrombin time and international normalized ratio were 23% (range: 10-65%) and 3.3 (range: 1.5-10.6), respectively. Replacement therapy consisted of administration of prothrombin complex concentrates, vitamin K and FFP (fresh frozen plasma). In four patients, antithrombin was additionally given to prevent disseminated intravascular coagulation. Surgical treatment consisted of craniotomy (n=10) or craniectomy (n=1) and hematoma evacuation with intracranial pressure probe placement. Low molecular weight heparin was administered as pharmacological prophylaxis of thrombembolic events in an increasing dose post-operatively. At 6 months, six out of 11 patients survived with a median GOS of 4. All-cause mortality was 45.5%. A pre-operative GCS of < or = 8 was not associated with an increased risk of mortality (p>0.5, Fisher's exact test). No relevant rebleedings or thrombembolic complications were observed. The mortality rate of patients who did not undergo OAT was 50%. CONCLUSION: A large number of patients with aSDH are on pre-injury OAT. Specific replacement therapy facilitates successful clot evacuation without bleeding complications. The overall outcome of these patients does not seem to differ from historical cohorts with aSDH without OAT, but a large prospective multicenter study is warranted to answer that question.

Functional Biosupramolecular Systems.

This year, the CUSO Summer School in Organic Chemistry celebrated its 40th anniversary. With a coinciding 450th anniversary, it was organized by the University of Geneva. The focus was on large molecules and supramolecules that are synthesized from scratch, have interesting functions, and address lessons from nature.

Normal vector method for the RCWA with automated vector field generation.

Early formulations of the RCWA yield, implicated by the erroneous application of factorization rules to discrete Fourier transformations, poor convergence in certain cases. An explanation for this finding and an approach to overcome the problem for crossed gratings was first given by Li [J. Opt. Soc. Am. A 13, 1870 (1996) and 14, 2758 (1997)]. A further improvement was achieved by Schuster et al. [J. Opt. Soc. Am. A 24, 2880 (2007)], using a structure dependent normal vector (NV) field. While it is trivial to create those NV fields for simple geometrical shapes, to our knowledge an appropriate algorithm for arbitrary shapes does not exist, yet. In this work we present such an algorithm.

Synthesis, modeling, and biological evaluation of analogues of the semisynthetic brevetoxin antagonist beta-naphthoyl-brevetoxin.

Brevetoxins are neurotoxic compounds produced by the dinoflagellate Karenia brevis. Extensive blooms induce neurotoxic shellfish poisoning (NSP) and asthma-like symptoms in humans. beta-naphthoyl-brevetoxin, the first semisynthetic brevetoxin antagonist, has been defined as the lead compound in the investigation of the mechanisms of bronchoconstriction induced by inhaled brevetoxins and relaxation or reversal of those effects by selected derivatives. In pursuit of more potent and effective brevetoxin antagonists, a series of beta-naphthoyl-brevetoxin analogues have been synthesized. Activities were determined by competitive displacement of tritiated brevetoxin-3 from rat brain synaptosomes and by lung resistance measurements in sheep. Additionally, preliminary computational structural studies have been performed. All analogues bound to rat brain synaptosomes with affinities similar to beta-naphthoyl-brevetoxin but exhibited very different responses in sheep. The biological evaluations along with computational studies suggest that the brevetoxin binding site in rat brain synaptosome might be different from the ones in lung tissue and both steric and electrostatic factors contribute to the efficacy of brevetoxin antagonism.

Normal vector method for convergence improvement using the RCWA for crossed gratings.

The rigorous coupled wave analysis (RCWA) is a widely used method for simulating diffraction from periodic structures. Since its recognized formulation by Moharam [J. Opt. Soc. Am. A12, 1068 and 1077 (1995)], there still has been a discussion about convergence problems. Those problems are more or less solved for the diffraction from line gratings, but there remain different concurrent proposals about the convergence improvement for crossed gratings. We propose to combine Popov and Nevière's formulation of the differential method [Light Propagation in Periodic Media (Dekker, 2003) and J. Opt. Soc. Am. A18, 2886 (2001)] with the classical RCWA. With a suitable choice of a normal vector field we obtain a better convergence than for the formulations that are known from the literature.