TY - JOUR AB - The many-body localization (MBL) proximity effect is an intriguing phenomenon where a thermal bath localizes due to the interaction with a disordered system. The interplay of thermal and nonergodic behavior in these systems gives rise to a rich phase diagram, whose exploration is an active field of research. In this paper, we study a bosonic Hubbard model featuring two particle species representing the bath and the disordered system. Using state-of-the-art numerical techniques, we investigate the dynamics of the model in different regimes, based on which we obtain a tentative phase diagram as a function of coupling strength and bath size. When the bath is composed of a single particle, we observe clear signatures of a transition from an MBL proximity effect to a delocalized phase. Increasing the bath size, however, its thermalizing effect becomes stronger and eventually the whole system delocalizes in the range of moderate interaction strengths studied. In this regime, we characterize particle transport, revealing diffusive behavior of the originally localized bosons. AU - Brighi, Pietro AU - Ljubotina, Marko AU - Abanin, Dmitry A. AU - Serbyn, Maksym ID - 13963 IS - 5 JF - Physical Review B SN - 2469-9950 TI - Many-body localization proximity effect in a two-species bosonic Hubbard model VL - 108 ER - TY - JOUR AB - We present a low-scaling diagrammatic Monte Carlo approach to molecular correlation energies. Using combinatorial graph theory to encode many-body Hugenholtz diagrams, we sample the Møller-Plesset (MPn) perturbation series, obtaining accurate correlation energies up to n=5, with quadratic scaling in the number of basis functions. Our technique reduces the computational complexity of the molecular many-fermion correlation problem, opening up the possibility of low-scaling, accurate stochastic computations for a wide class of many-body systems described by Hugenholtz diagrams. AU - Bighin, Giacomo AU - Ho, Quoc P AU - Lemeshko, Mikhail AU - Tscherbul, T. V. ID - 13966 IS - 4 JF - Physical Review B SN - 2469-9950 TI - Diagrammatic Monte Carlo for electronic correlation in molecules: High-order many-body perturbation theory with low scaling VL - 108 ER - TY - JOUR AU - Madani, Amiera AU - Sletten, Eric T. AU - Cavedon, Cristian AU - Seeberger, Peter H. AU - Pieber, Bartholomäus ID - 13970 JF - Organic Syntheses SN - 0078-6209 TI - Visible-light-mediated oxidative debenzylation of 3-O-Benzyl-1,2:5,6-di-O-isopropylidene-α-D-glucofuranose VL - 100 ER - TY - JOUR AB - Cooperative disease defense emerges as group-level collective behavior, yet how group members make the underlying individual decisions is poorly understood. Using garden ants and fungal pathogens as an experimental model, we derive the rules governing individual ant grooming choices and show how they produce colony-level hygiene. Time-resolved behavioral analysis, pathogen quantification, and probabilistic modeling reveal that ants increase grooming and preferentially target highly-infectious individuals when perceiving high pathogen load, but transiently suppress grooming after having been groomed by nestmates. Ants thus react to both, the infectivity of others and the social feedback they receive on their own contagiousness. While inferred solely from momentary ant decisions, these behavioral rules quantitatively predict hour-long experimental dynamics, and synergistically combine into efficient colony-wide pathogen removal. Our analyses show that noisy individual decisions based on only local, incomplete, yet dynamically-updated information on pathogen threat and social feedback can lead to potent collective disease defense. AU - Casillas Perez, Barbara E AU - Bod'Ová, Katarína AU - Grasse, Anna V AU - Tkačik, Gašper AU - Cremer, Sylvia ID - 13127 JF - Nature Communications TI - Dynamic pathogen detection and social feedback shape collective hygiene in ants VL - 14 ER - TY - DATA AB - basic data for use in code for experimental data analysis for manuscript under revision: Dynamic pathogen detection and social feedback shape collective hygiene in ants Casillas-Pérez B, Boďová K, Grasse AV, Tkačik G, Cremer S AU - Cremer, Sylvia ID - 12945 KW - collective behavior KW - host-pathogen interactions KW - social immunity KW - epidemiology KW - social insects KW - probabilistic modeling TI - Data from: "Dynamic pathogen detection and social feedback shape collective hygiene in ants" ER - TY - THES AB - High-performance semiconductors rely upon precise control of heat and charge transport. This can be achieved by precisely engineering defects in polycrystalline solids. There are multiple approaches to preparing such polycrystalline semiconductors, and the transformation of solution-processed colloidal nanoparticles is appealing because colloidal nanoparticles combine low cost with structural and compositional tunability along with rich surface chemistry. However, the multiple processes from nanoparticle synthesis to the final bulk nanocomposites are very complex. They involve nanoparticle purification, post-synthetic modifications, and finally consolidation (thermal treatments and densification). All these properties dictate the final material’s composition and microstructure, ultimately affecting its functional properties. This thesis explores the synthesis, surface chemistry and consolidation of colloidal semiconductor nanoparticles into dense solids. In particular, the transformations that take place during these processes, and their effect on the material’s transport properties are evaluated. AU - Calcabrini, Mariano ID - 12885 SN - 2663-337X TI - Nanoparticle-based semiconductor solids: From synthesis to consolidation ER - TY - JOUR AB - Following up on the recent work on lower Ricci curvature bounds for quantum systems, we introduce two noncommutative versions of curvature-dimension bounds for symmetric quantum Markov semigroups over matrix algebras. Under suitable such curvature-dimension conditions, we prove a family of dimension-dependent functional inequalities, a version of the Bonnet–Myers theorem and concavity of entropy power in the noncommutative setting. We also provide examples satisfying certain curvature-dimension conditions, including Schur multipliers over matrix algebras, Herz–Schur multipliers over group algebras and generalized depolarizing semigroups. AU - Wirth, Melchior AU - Zhang, Haonan ID - 12087 JF - Annales Henri Poincare SN - 1424-0637 TI - Curvature-dimension conditions for symmetric quantum Markov semigroups VL - 24 ER - TY - JOUR AB - In 1998 Burago and Kleiner and (independently) McMullen gave examples of separated nets in Euclidean space which are non-bilipschitz equivalent to the integer lattice. We study weaker notions of equivalence of separated nets and demonstrate that such notions also give rise to distinct equivalence classes. Put differently, we find occurrences of particularly strong divergence of separated nets from the integer lattice. Our approach generalises that of Burago and Kleiner and McMullen which takes place largely in a continuous setting. Existence of irregular separated nets is verified via the existence of non-realisable density functions ρ:[0,1]d→(0,∞). In the present work we obtain stronger types of non-realisable densities. AU - Dymond, Michael AU - Kaluza, Vojtech ID - 9652 JF - Israel Journal of Mathematics KW - Lipschitz KW - bilipschitz KW - bounded displacement KW - modulus of continuity KW - separated net KW - non-realisable density KW - Burago--Kleiner construction TI - Highly irregular separated nets VL - 253 ER - TY - JOUR AB - The power factor of poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) film can be significantly improved by optimizing the oxidation level of the film in oxidation and reduction processes. However, precise control over the oxidation and reduction effects in PEDOT:PSS remains a challenge, which greatly sacrifices both S and σ. Here, we propose a two-step post-treatment using a mixture of ethylene glycol (EG) and Arginine (Arg) and sulfuric acid (H2SO4) in sequence to engineer high-performance PEDOT:PSS thermoelectric films. The high-polarity EG dopant removes the excess non-ionized PSS and induces benzenoid-to-quinoid conformational change in the PEDOT:PSS films. In particular, basic amino acid Arg tunes the oxidation level of PEDOT:PSS and prevents the films from over-oxidation during H2SO4 post-treatment, leading to increased S. The following H2SO4 post-treatment further induces highly orientated lamellar stacking microstructures to increase σ, yielding a maximum power factor of 170.6 μW m−1 K−2 at 460 K. Moreover, a novel trigonal-shape thermoelectric device is designed and assembled by the as-prepared PEDOT:PSS films in order to harvest heat via a vertical temperature gradient. An output power density of 33 μW cm−2 is generated at a temperature difference of 40 K, showing the potential application for low-grade wearable electronic devices. AU - Zhang, Li AU - Liu, Xingyu AU - Wu, Ting AU - Xu, Shengduo AU - Suo, Guoquan AU - Ye, Xiaohui AU - Hou, Xiaojiang AU - Yang, Yanling AU - Liu, Qingfeng AU - Wang, Hongqiang ID - 12113 JF - Applied Surface Science KW - Surfaces KW - Coatings and Films KW - Condensed Matter Physics KW - Surfaces and Interfaces KW - General Physics and Astronomy KW - General Chemistry SN - 0169-4332 TI - Two-step post-treatment to deliver high performance thermoelectric device with vertical temperature gradient VL - 613 ER - TY - JOUR AB - We study the large scale behavior of elliptic systems with stationary random coefficient that have only slowly decaying correlations. To this aim we analyze the so-called corrector equation, a degenerate elliptic equation posed in the probability space. In this contribution, we use a parabolic approach and optimally quantify the time decay of the semigroup. For the theoretical point of view, we prove an optimal decay estimate of the gradient and flux of the corrector when spatially averaged over a scale R larger than 1. For the numerical point of view, our results provide convenient tools for the analysis of various numerical methods. AU - Clozeau, Nicolas ID - 10173 JF - Stochastics and Partial Differential Equations: Analysis and Computations SN - 2194-0401 TI - Optimal decay of the parabolic semigroup in stochastic homogenization for correlated coefficient fields VL - 11 ER - TY - JOUR AB - Following E. Wigner’s original vision, we prove that sampling the eigenvalue gaps within the bulk spectrum of a fixed (deformed) Wigner matrix H yields the celebrated Wigner-Dyson-Mehta universal statistics with high probability. Similarly, we prove universality for a monoparametric family of deformed Wigner matrices H+xA with a deterministic Hermitian matrix A and a fixed Wigner matrix H, just using the randomness of a single scalar real random variable x. Both results constitute quenched versions of bulk universality that has so far only been proven in annealed sense with respect to the probability space of the matrix ensemble. AU - Cipolloni, Giorgio AU - Erdös, László AU - Schröder, Dominik J ID - 11741 JF - Probability Theory and Related Fields SN - 0178-8051 TI - Quenched universality for deformed Wigner matrices VL - 185 ER - TY - JOUR AB - High carrier mobility is critical to improving thermoelectric performance over a broad temperature range. However, traditional doping inevitably deteriorates carrier mobility. Herein, we develop a strategy for fine tuning of defects to improve carrier mobility. To begin, n-type PbTe is created by compensating for the intrinsic Pb vacancy in bare PbTe. Excess Pb2+ reduces vacancy scattering, resulting in a high carrier mobility of ∼3400 cm2 V–1 s–1. Then, excess Ag is introduced to compensate for the remaining intrinsic Pb vacancies. We find that excess Ag exhibits a dynamic doping process with increasing temperatures, increasing both the carrier concentration and carrier mobility throughout a wide temperature range; specifically, an ultrahigh carrier mobility ∼7300 cm2 V–1 s–1 is obtained for Pb1.01Te + 0.002Ag at 300 K. Moreover, the dynamic doping-induced high carrier concentration suppresses the bipolar thermal conductivity at high temperatures. The final step is using iodine to optimize the carrier concentration to ∼1019 cm–3. Ultimately, a maximum ZT value of ∼1.5 and a large average ZTave value of ∼1.0 at 300–773 K are obtained for Pb1.01Te0.998I0.002 + 0.002Ag. These findings demonstrate that fine tuning of defects with <0.5% impurities can remarkably enhance carrier mobility and improve thermoelectric performance. AU - Wang, Siqi AU - Chang, Cheng AU - Bai, Shulin AU - Qin, Bingchao AU - Zhu, Yingcai AU - Zhan, Shaoping AU - Zheng, Junqing AU - Tang, Shuwei AU - Zhao, Li Dong ID - 12331 IS - 2 JF - Chemistry of Materials SN - 0897-4756 TI - Fine tuning of defects enables high carrier mobility and enhanced thermoelectric performance of n-type PbTe VL - 35 ER - TY - JOUR AB - A simple drawing D(G) of a graph G is one where each pair of edges share at most one point: either a common endpoint or a proper crossing. An edge e in the complement of G can be inserted into D(G) if there exists a simple drawing of G+e extending D(G). As a result of Levi’s Enlargement Lemma, if a drawing is rectilinear (pseudolinear), that is, the edges can be extended into an arrangement of lines (pseudolines), then any edge in the complement of G can be inserted. In contrast, we show that it is NP-complete to decide whether one edge can be inserted into a simple drawing. This remains true even if we assume that the drawing is pseudocircular, that is, the edges can be extended to an arrangement of pseudocircles. On the positive side, we show that, given an arrangement of pseudocircles A and a pseudosegment σ, it can be decided in polynomial time whether there exists a pseudocircle Φσ extending σ for which A∪{Φσ} is again an arrangement of pseudocircles. AU - Arroyo Guevara, Alan M AU - Klute, Fabian AU - Parada, Irene AU - Vogtenhuber, Birgit AU - Seidel, Raimund AU - Wiedera, Tilo ID - 11999 JF - Discrete and Computational Geometry SN - 0179-5376 TI - Inserting one edge into a simple drawing is hard VL - 69 ER - TY - JOUR AB - The design and implementation of efficient concurrent data structures has seen significant attention. However, most of this work has focused on concurrent data structures providing good worst-case guarantees, although, in real workloads, objects are often accessed at different rates. Efficient distribution-adaptive data structures, such as splay-trees, are known in the sequential case; however, they often are hard to translate efficiently to the concurrent case. We investigate distribution-adaptive concurrent data structures, and propose a new design called the splay-list. At a high level, the splay-list is similar to a standard skip-list, with the key distinction that the height of each element adapts dynamically to its access rate: popular elements “move up,” whereas rarely-accessed elements decrease in height. We show that the splay-list provides order-optimal amortized complexity bounds for a subset of operations, while being amenable to efficient concurrent implementation. Experiments show that the splay-list can leverage distribution-adaptivity for performance, and can outperform the only previously-known distribution-adaptive concurrent design in certain workloads. AU - Aksenov, Vitalii AU - Alistarh, Dan-Adrian AU - Drozdova, Alexandra AU - Mohtashami, Amirkeivan ID - 12330 JF - Distributed Computing SN - 0178-2770 TI - The splay-list: A distribution-adaptive concurrent skip-list VL - 36 ER - TY - JOUR AB - The term “haplotype block” is commonly used in the developing field of haplotype-based inference methods. We argue that the term should be defined based on the structure of the Ancestral Recombination Graph (ARG), which contains complete information on the ancestry of a sample. We use simulated examples to demonstrate key features of the relationship between haplotype blocks and ancestral structure, emphasizing the stochasticity of the processes that generate them. Even the simplest cases of neutrality or of a “hard” selective sweep produce a rich structure, often missed by commonly used statistics. We highlight a number of novel methods for inferring haplotype structure, based on the full ARG, or on a sequence of trees, and illustrate how they can be used to define haplotype blocks using an empirical data set. While the advent of new, computationally efficient methods makes it possible to apply these concepts broadly, they (and additional new methods) could benefit from adding features to explore haplotype blocks, as we define them. Understanding and applying the concept of the haplotype block will be essential to fully exploit long and linked-read sequencing technologies. AU - Shipilina, Daria AU - Pal, Arka AU - Stankowski, Sean AU - Chan, Yingguang Frank AU - Barton, Nicholas H ID - 12159 IS - 6 JF - Molecular Ecology KW - Genetics KW - Ecology KW - Evolution KW - Behavior and Systematics SN - 0962-1083 TI - On the origin and structure of haplotype blocks VL - 32 ER - TY - JOUR AB - Probing the dynamics of aromatic side chains provides important insights into the behavior of a protein because flips of aromatic rings in a protein’s hydrophobic core report on breathing motion involving a large part of the protein. Inherently invisible to crystallography, aromatic motions have been primarily studied by solution NMR. The question how packing of proteins in crystals affects ring flips has, thus, remained largely unexplored. Here we apply magic-angle spinning NMR, advanced phenylalanine 1H-13C/2H isotope labeling and MD simulation to a protein in three different crystal packing environments to shed light onto possible impact of packing on ring flips. The flips of the two Phe residues in ubiquitin, both surface exposed, appear remarkably conserved in the different crystal forms, even though the intermolecular packing is quite different: Phe4 flips on a ca. 10–20 ns time scale, and Phe45 are broadened in all crystals, presumably due to µs motion. Our findings suggest that intramolecular influences are more important for ring flips than intermolecular (packing) effects. AU - Gauto, Diego F. AU - Lebedenko, Olga O. AU - Becker, Lea Marie AU - Ayala, Isabel AU - Lichtenecker, Roman AU - Skrynnikov, Nikolai R. AU - Schanda, Paul ID - 12114 JF - Journal of Structural Biology: X KW - Structural Biology SN - 2590-1524 TI - Aromatic ring flips in differently packed ubiquitin protein crystals from MAS NMR and MD VL - 7 ER - TY - JOUR AB - Small GTPases play essential roles in the organization of eukaryotic cells. In recent years, it has become clear that their intracellular functions result from intricate biochemical networks of the GTPase and their regulators that dynamically bind to a membrane surface. Due to the inherent complexities of their interactions, however, revealing the underlying mechanisms of action is often difficult to achieve from in vivo studies. This review summarizes in vitro reconstitution approaches developed to obtain a better mechanistic understanding of how small GTPase activities are regulated in space and time. AU - Loose, Martin AU - Auer, Albert AU - Brognara, Gabriel AU - Budiman, Hanifatul R AU - Kowalski, Lukasz M AU - Matijevic, Ivana ID - 12163 IS - 6 JF - FEBS Letters KW - Cell Biology KW - Genetics KW - Molecular Biology KW - Biochemistry KW - Structural Biology KW - Biophysics SN - 0014-5793 TI - In vitro reconstitution of small GTPase regulation VL - 597 ER - TY - JOUR AB - A shared-memory counter is a widely-used and well-studied concurrent object. It supports two operations: An Inc operation that increases its value by 1 and a Read operation that returns its current value. In Jayanti et al (SIAM J Comput, 30(2), 2000), Jayanti, Tan and Toueg proved a linear lower bound on the worst-case step complexity of obstruction-free implementations, from read-write registers, of a large class of shared objects that includes counters. The lower bound leaves open the question of finding counter implementations with sub-linear amortized step complexity. In this work, we address this gap. We show that n-process, wait-free and linearizable counters can be implemented from read-write registers with O(log2n) amortized step complexity. This is the first counter algorithm from read-write registers that provides sub-linear amortized step complexity in executions of arbitrary length. Since a logarithmic lower bound on the amortized step complexity of obstruction-free counter implementations exists, our upper bound is within a logarithmic factor of the optimal. The worst-case step complexity of the construction remains linear, which is optimal. This is obtained thanks to a new max register construction with O(logn) amortized step complexity in executions of arbitrary length in which the value stored in the register does not grow too quickly. We then leverage an existing counter algorithm by Aspnes, Attiya and Censor-Hillel [1] in which we “plug” our max register implementation to show that it remains linearizable while achieving O(log2n) amortized step complexity. AU - Baig, Mirza Ahad AU - Hendler, Danny AU - Milani, Alessia AU - Travers, Corentin ID - 12164 JF - Distributed Computing KW - Computational Theory and Mathematics KW - Computer Networks and Communications KW - Hardware and Architecture KW - Theoretical Computer Science SN - 0178-2770 TI - Long-lived counters with polylogarithmic amortized step complexity VL - 36 ER - TY - JOUR AB - In industrial reactors and equipment, non-ideality is quite a common phenomenon rather than an exception. These deviations from ideality impact the process's overall efficiency and the effectiveness of the equipment. To recognize the associated non-ideality, one needs to have enough understanding of the formulation of the equations and in-depth knowledge of the residence time distribution (RTD) data of real reactors. In the current work, step input and pulse input were used to create RTD data for Cascade continuous stirred tank reactors (CSTRs). For the aforementioned configuration, experiments were run at various flow rates to validate the developed characteristic equations. To produce RTD data, distilled water was utilized as the flowing fluid, and NaOH was the tracer substance. The ideal behavior of tracer concentration exits age distribution, and cumulative fraction for each setup and each input was plotted and experimental results were compared with perfect behavior. Deviation of concentration exit age distribution and cumulative fractional distribution from ideal behavior is more in pulse input as compared to a step input. For ideal cases, the exit age distribution curve and cumulative fraction curves are independent of the type of input. But a significant difference was observed for the two cases, which may be due to non-measurable fluctuations in volumetric flow rate, non-achievement of instant injection of tracer in case of pulse input, and slight variations in the sampling period. Further, with increasing flow rate, concentration, exit age, and cumulative fractional curves shifted upward, and this behavior matches with the actual case. AU - Khatoon, Bushra AU - Kamil, Shoaib AU - Babu, Hitesh AU - Siraj Alam, M. ID - 12172 IS - Part 1 JF - Materials Today: Proceedings KW - General Medicine SN - 2214-7853 TI - Experimental analysis of Cascade CSTRs with step and pulse inputs VL - 78 ER - TY - JOUR AB - Introduction: The olfactory system in most mammals is divided into several subsystems based on the anatomical locations of the neuroreceptor cells involved and the receptor families that are expressed. In addition to the main olfactory system and the vomeronasal system, a range of olfactory subsystems converge onto the transition zone located between the main olfactory bulb (MOB) and the accessory olfactory bulb (AOB), which has been termed the olfactory limbus (OL). The OL contains specialized glomeruli that receive noncanonical sensory afferences and which interact with the MOB and AOB. Little is known regarding the olfactory subsystems of mammals other than laboratory rodents. Methods: We have focused on characterizing the OL in the red fox by performing general and specific histological stainings on serial sections, using both single and double immunohistochemical and lectin-histochemical labeling techniques. Results: As a result, we have been able to determine that the OL of the red fox (Vulpes vulpes) displays an uncommonly high degree of development and complexity. Discussion: This makes this species a novel mammalian model, the study of which could improve our understanding of the noncanonical pathways involved in the processing of chemosensory cues. AU - Ortiz-Leal, Irene AU - Torres, Mateo V. AU - Vargas Barroso, Victor M AU - Fidalgo, Luis Eusebio AU - López-Beceiro, Ana María AU - Larriva-Sahd, Jorge A. AU - Sánchez-Quinteiro, Pablo ID - 12515 JF - Frontiers in Neuroanatomy TI - The olfactory limbus of the red fox (Vulpes vulpes). New insights regarding a noncanonical olfactory bulb pathway VL - 16 ER -