@article{1021, abstract = {Most flows in nature and engineering are turbulent because of their large velocities and spatial scales. Laboratory experiments on rotating quasi-Keplerian flows, for which the angular velocity decreases radially but the angular momentum increases, are however laminar at Reynolds numbers exceeding one million. This is in apparent contradiction to direct numerical simulations showing that in these experiments turbulence transition is triggered by the axial boundaries. We here show numerically that as the Reynolds number increases, turbulence becomes progressively confined to the boundary layers and the flow in the bulk fully relaminarizes. Our findings support that turbulence is unlikely to occur in isothermal constant-density quasi-Keplerian flows.}, author = {Lopez Alonso, Jose M and Avila, Marc}, issn = {0022-1120}, journal = {Journal of Fluid Mechanics}, pages = {21 -- 34}, publisher = {Cambridge University Press}, title = {{Boundary layer turbulence in experiments on quasi Keplerian flows}}, doi = {10.1017/jfm.2017.109}, volume = {817}, year = {2017}, } @article{1022, abstract = {We introduce a multiscale topological description of the Megaparsec web-like cosmic matter distribution. Betti numbers and topological persistence offer a powerful means of describing the rich connectivity structure of the cosmic web and of its multiscale arrangement of matter and galaxies. Emanating from algebraic topology and Morse theory, Betti numbers and persistence diagrams represent an extension and deepening of the cosmologically familiar topological genus measure and the related geometric Minkowski functionals. In addition to a description of the mathematical background, this study presents the computational procedure for computing Betti numbers and persistence diagrams for density field filtrations. The field may be computed starting from a discrete spatial distribution of galaxies or simulation particles. The main emphasis of this study concerns an extensive and systematic exploration of the imprint of different web-like morphologies and different levels of multiscale clustering in the corresponding computed Betti numbers and persistence diagrams. To this end, we use Voronoi clustering models as templates for a rich variety of web-like configurations and the fractal-like Soneira-Peebles models exemplify a range of multiscale configurations. We have identified the clear imprint of cluster nodes, filaments, walls, and voids in persistence diagrams, along with that of the nested hierarchy of structures in multiscale point distributions. We conclude by outlining the potential of persistent topology for understanding the connectivity structure of the cosmic web, in large simulations of cosmic structure formation and in the challenging context of the observed galaxy distribution in large galaxy surveys.}, author = {Pranav, Pratyush and Edelsbrunner, Herbert and Van De Weygaert, Rien and Vegter, Gert and Kerber, Michael and Jones, Bernard and Wintraecken, Mathijs}, issn = {0035-8711}, journal = {Monthly Notices of the Royal Astronomical Society}, number = {4}, pages = {4281 -- 4310}, publisher = {Oxford University Press}, title = {{The topology of the cosmic web in terms of persistent Betti numbers}}, doi = {10.1093/mnras/stw2862}, volume = {465}, year = {2017}, } @article{1023, abstract = {We consider products of independent square non-Hermitian random matrices. More precisely, let X1,…, Xn be independent N × N random matrices with independent entries (real or complex with independent real and imaginary parts) with zero mean and variance 1/N. Soshnikov-O’Rourke [19] and Götze-Tikhomirov [15] showed that the empirical spectral distribution of the product of n random matrices with iid entries converges to (equation found). We prove that if the entries of the matrices X1,…, Xn are independent (but not necessarily identically distributed) and satisfy uniform subexponential decay condition, then in the bulk the convergence of the ESD of X1,…, Xn to (0.1) holds up to the scale N–1/2+ε.}, author = {Nemish, Yuriy}, issn = {1083-6489}, journal = {Electronic Journal of Probability}, publisher = {Institute of Mathematical Statistics}, title = {{Local law for the product of independent non-Hermitian random matrices with independent entries}}, doi = {10.1214/17-EJP38}, volume = {22}, year = {2017}, } @article{1025, abstract = {Many organ surfaces are covered by a protective epithelial-cell layer. It emerges that such layers are maintained by cell stretching that triggers cell division mediated by the force-sensitive ion-channel protein Piezo1. See Letter p.118}, author = {Heisenberg, Carl-Philipp J}, issn = {0028-0836}, journal = {Nature}, number = {7643}, pages = {43 -- 44}, publisher = {Nature Publishing Group}, title = {{Cell biology: Stretched divisions}}, doi = {10.1038/nature21502}, volume = {543}, year = {2017}, } @article{1026, abstract = {The optogenetic revolution enabled spatially-precise and temporally-precise control over protein function, signaling pathway activation, and animal behavior with tremendous success in the dissection of signaling networks and neural circuits. Very recently, optogenetic methods have been paired with optical reporters in novel drug screening platforms. In these all-optical platforms, light remotely activated ion channels and kinases thereby obviating the use of electrophysiology or reagents. Consequences were remarkable operational simplicity, throughput, and cost-effectiveness that culminated in the identification of new drug candidates. These blueprints for all-optical assays also revealed potential pitfalls and inspire all-optical variants of other screens, such as those that aim at better understanding dynamic drug action or orphan protein function.}, author = {Agus, Viviana and Janovjak, Harald L}, issn = {09581669}, journal = {Current Opinion in Biotechnology}, pages = {8 -- 14}, publisher = {Elsevier}, title = {{Optogenetic methods in drug screening: Technologies and applications}}, doi = {10.1016/j.copbio.2017.02.006}, volume = {48}, year = {2017}, } @article{103, abstract = {We investigate effects of quasiparticle poisoning in a Majorana island with strong tunnel coupling to normal-metal leads. In addition to the main Coulomb blockade diamonds, "shadow" diamonds appear, shifted by 1e in gate voltage, consistent with transport through an excited (poisoned) state of the island. Comparison to a simple model yields an estimate of parity lifetime for the strongly coupled island (∼1 μs) and sets a bound for a weakly coupled island (>10 μs). Fluctuations in the gate-voltage spacing of Coulomb peaks at high field, reflecting Majorana hybridization, are enhanced by the reduced lever arm at strong coupling. When converted from gate voltage to energy units, fluctuations are consistent with previous measurements.}, author = {Albrecht, S M and Hansen, Esben and Higginbotham, Andrew P and Kuemmeth, Ferdinand and Jespersen, Thomas and Nygård, Jesper and Krogstrup, Peter and Danon, Jeroen and Flensberg, Karsten and Marcus, Charles}, journal = {APS Physics, Physical Review Letters}, number = {13}, publisher = {American Physical Society}, title = {{Transport signatures of quasiparticle poisoning in a majorana island}}, doi = {10.1103/PhysRevLett.118.137701}, volume = {118}, year = {2017}, } @article{1030, abstract = {Auf der Suche nach einem Bibliothekssystem entschied sich die Forschungseinrichtung IST Austria im Jahr 2014 für das Open-Source-Produkt Koha. In einem ersten Schritt wurden zunächst Grundfunktionen aktiviert um im Anschluss diverse zusätzliche Tools zum Einsatz zu bringen. Die große Flexibilität des Systems erlaubt maßgeschneiderte Lösungen für unterschiedlichste Institutionen. Trotz Herausforderungen kann die Bibliothek auf eine erfolgreiche Implementierung zurückblicken.}, author = {Villányi, Márton}, issn = {2297-3249}, journal = {Informationspraxis}, number = {1}, publisher = {Verein Informationspraxis }, title = {{Ein freies Bibliothekssystem für wissenschaftliche Bibliotheken – Werkstattbericht der IST Austria Library}}, doi = {10.11588/ip.2017.1.35227}, volume = {3}, year = {2017}, } @article{10369, abstract = {Biological membranes have a central role in mediating the organization of membrane-curving proteins, a dynamic process that has proven to be challenging to probe experimentally. Using atomic force microscopy, we capture the hierarchically organized assemblies of Bin/amphiphysin/Rvs (BAR) proteins on supported lipid membranes. Their structure reveals distinct long linear aggregates of proteins, regularly spaced by up to 300 nm. Employing accurate free-energy calculations from large-scale coarse-grained computer simulations, we found that the membrane mediates the interaction among protein filaments as a combination of short- and long-ranged interactions. The long-ranged component acts at strikingly long distances, giving rise to a variety of micron-sized ordered patterns. This mechanism may contribute to the long-ranged spatiotemporal control of membrane remodeling by proteins in the cell.}, author = {Simunovic, Mijo and Šarić, Anđela and Henderson, J. Michael and Lee, Ka Yee C. and Voth, Gregory A.}, issn = {2374-7951}, journal = {ACS Central Science}, keywords = {general chemical engineering, general chemistry}, number = {12}, pages = {1246--1253}, publisher = {American Chemical Society}, title = {{Long-range organization of membrane-curving proteins}}, doi = {10.1021/acscentsci.7b00392}, volume = {3}, year = {2017}, } @article{10370, abstract = {Eukaryotic cells are densely packed with macromolecular complexes and intertwining organelles, continually transported and reshaped. Intriguingly, organelles avoid clashing and entangling with each other in such limited space. Mitochondria form extensive networks constantly remodeled by fission and fusion. Here, we show that mitochondrial fission is triggered by mechanical forces. Mechano-stimulation of mitochondria – via encounter with motile intracellular pathogens, via external pressure applied by an atomic force microscope, or via cell migration across uneven microsurfaces – results in the recruitment of the mitochondrial fission machinery, and subsequent division. We propose that MFF, owing to affinity for narrow mitochondria, acts as a membrane-bound force sensor to recruit the fission machinery to mechanically strained sites. Thus, mitochondria adapt to the environment by sensing and responding to biomechanical cues. Our findings that mechanical triggers can be coupled to biochemical responses in membrane dynamics may explain how organelles orderly cohabit in the crowded cytoplasm.}, author = {Helle, Sebastian Carsten Johannes and Feng, Qian and Aebersold, Mathias J and Hirt, Luca and Grüter, Raphael R and Vahid, Afshin and Sirianni, Andrea and Mostowy, Serge and Snedeker, Jess G and Šarić, Anđela and Idema, Timon and Zambelli, Tomaso and Kornmann, Benoît}, issn = {2050-084X}, journal = {eLife}, keywords = {general immunology and microbiology, general biochemistry, genetics and molecular biology, general medicine, general neuroscience}, publisher = {eLife Sciences Publications}, title = {{Mechanical force induces mitochondrial fission}}, doi = {10.7554/elife.30292}, volume = {6}, year = {2017}, } @article{10373, abstract = {Electric charges are conserved. The same would be expected to hold for magnetic charges, yet magnetic monopoles have never been observed. It is therefore surprising that the laws of nonequilibrium thermodynamics, combined with Maxwell’s equations, suggest that colloidal particles heated or cooled in certain polar or paramagnetic solvents may behave as if they carry an electric/magnetic charge. Here, we present numerical simulations that show that the field distribution around a pair of such heated/cooled colloidal particles agrees quantitatively with the theoretical predictions for a pair of oppositely charged electric or magnetic monopoles. However, in other respects, the nonequilibrium colloidal particles do not behave as monopoles: They cannot be moved by a homogeneous applied field. The numerical evidence for the monopole-like fields around heated/cooled colloidal particles is crucial because the experimental and numerical determination of forces between such colloidal particles would be complicated by the presence of other effects, such as thermophoresis.}, author = {Wirnsberger, Peter and Fijan, Domagoj and Lightwood, Roger A. and Šarić, Anđela and Dellago, Christoph and Frenkel, Daan}, issn = {1091-6490}, journal = {Proceedings of the National Academy of Sciences}, keywords = {multidisciplinary}, number = {19}, pages = {4911--4914}, publisher = {National Academy of Sciences}, title = {{Numerical evidence for thermally induced monopoles}}, doi = {10.1073/pnas.1621494114}, volume = {114}, year = {2017}, } @article{10374, abstract = {The formation of filaments from naturally occurring protein molecules is a process at the core of a range of functional and aberrant biological phenomena, such as the assembly of the cytoskeleton or the appearance of aggregates in Alzheimer's disease. The macroscopic behaviour associated with such processes is remarkably diverse, ranging from simple nucleated growth to highly cooperative processes with a well-defined lagtime. Thus, conventionally, different molecular mechanisms have been used to explain the self-assembly of different proteins. Here we show that this range of behaviour can be quantitatively captured by a single unifying Petri net that describes filamentous growth in terms of aggregate number and aggregate mass concentrations. By considering general features associated with a particular network connectivity, we are able to establish directly the rate-determining steps of the overall aggregation reaction from the system's scaling behaviour. We illustrate the power of this framework on a range of different experimental and simulated aggregating systems. The approach is general and will be applicable to any future extensions of the reaction network of filamentous self-assembly.}, author = {Meisl, Georg and Rajah, Luke and Cohen, Samuel A. I. and Pfammatter, Manuela and Šarić, Anđela and Hellstrand, Erik and Buell, Alexander K. and Aguzzi, Adriano and Linse, Sara and Vendruscolo, Michele and Dobson, Christopher M. and Knowles, Tuomas P. J.}, issn = {2041-6539}, journal = {Chemical Science}, keywords = {general chemistry}, number = {10}, pages = {7087--7097}, publisher = {Royal Society of Chemistry}, title = {{Scaling behaviour and rate-determining steps in filamentous self-assembly}}, doi = {10.1039/c7sc01965c}, volume = {8}, year = {2017}, } @article{10375, abstract = {Cellular membranes exhibit a large variety of shapes, strongly coupled to their function. Many biological processes involve dynamic reshaping of membranes, usually mediated by proteins. This interaction works both ways: while proteins influence the membrane shape, the membrane shape affects the interactions between the proteins. To study these membrane-mediated interactions on closed and anisotropically curved membranes, we use colloids adhered to ellipsoidal membrane vesicles as a model system. We find that two particles on a closed system always attract each other, and tend to align with the direction of largest curvature. Multiple particles form arcs, or, at large enough numbers, a complete ring surrounding the vesicle in its equatorial plane. The resulting vesicle shape resembles a snowman. Our results indicate that these physical interactions on membranes with anisotropic shapes can be exploited by cells to drive macromolecules to preferred regions of cellular or intracellular membranes, and utilized to initiate dynamic processes such as cell division. The same principle could be used to find the midplane of an artificial vesicle, as a first step towards dividing it into two equal parts.}, author = {Vahid, Afshin and Šarić, Anđela and Idema, Timon}, issn = {1744-6848}, journal = {Soft Matter}, keywords = {condensed matter physics, general chemistry}, number = {28}, pages = {4924--4930}, publisher = {Royal Society of Chemistry}, title = {{Curvature variation controls particle aggregation on fluid vesicles}}, doi = {10.1039/c7sm00433h}, volume = {13}, year = {2017}, } @article{10416, abstract = {A fundamental algorithmic problem at the heart of static analysis is Dyck reachability. The input is a graph where the edges are labeled with different types of opening and closing parentheses, and the reachability information is computed via paths whose parentheses are properly matched. We present new results for Dyck reachability problems with applications to alias analysis and data-dependence analysis. Our main contributions, that include improved upper bounds as well as lower bounds that establish optimality guarantees, are as follows: First, we consider Dyck reachability on bidirected graphs, which is the standard way of performing field-sensitive points-to analysis. Given a bidirected graph with n nodes and m edges, we present: (i) an algorithm with worst-case running time O(m + n · α(n)), where α(n) is the inverse Ackermann function, improving the previously known O(n2) time bound; (ii) a matching lower bound that shows that our algorithm is optimal wrt to worst-case complexity; and (iii) an optimal average-case upper bound of O(m) time, improving the previously known O(m · logn) bound. Second, we consider the problem of context-sensitive data-dependence analysis, where the task is to obtain analysis summaries of library code in the presence of callbacks. Our algorithm preprocesses libraries in almost linear time, after which the contribution of the library in the complexity of the client analysis is only linear, and only wrt the number of call sites. Third, we prove that combinatorial algorithms for Dyck reachability on general graphs with truly sub-cubic bounds cannot be obtained without obtaining sub-cubic combinatorial algorithms for Boolean Matrix Multiplication, which is a long-standing open problem. Thus we establish that the existing combinatorial algorithms for Dyck reachability are (conditionally) optimal for general graphs. We also show that the same hardness holds for graphs of constant treewidth. Finally, we provide a prototype implementation of our algorithms for both alias analysis and data-dependence analysis. Our experimental evaluation demonstrates that the new algorithms significantly outperform all existing methods on the two problems, over real-world benchmarks.}, author = {Chatterjee, Krishnendu and Choudhary, Bhavya and Pavlogiannis, Andreas}, issn = {2475-1421}, journal = {Proceedings of the ACM on Programming Languages}, location = {Los Angeles, CA, United States}, number = {POPL}, publisher = {Association for Computing Machinery}, title = {{Optimal Dyck reachability for data-dependence and Alias analysis}}, doi = {10.1145/3158118}, volume = {2}, year = {2017}, } @article{10418, abstract = {We present a new proof rule for proving almost-sure termination of probabilistic programs, including those that contain demonic non-determinism. An important question for a probabilistic program is whether the probability mass of all its diverging runs is zero, that is that it terminates "almost surely". Proving that can be hard, and this paper presents a new method for doing so. It applies directly to the program's source code, even if the program contains demonic choice. Like others, we use variant functions (a.k.a. "super-martingales") that are real-valued and decrease randomly on each loop iteration; but our key innovation is that the amount as well as the probability of the decrease are parametric. We prove the soundness of the new rule, indicate where its applicability goes beyond existing rules, and explain its connection to classical results on denumerable (non-demonic) Markov chains.}, author = {Mciver, Annabelle and Morgan, Carroll and Kaminski, Benjamin Lucien and Katoen, Joost P}, issn = {2475-1421}, journal = {Proceedings of the ACM on Programming Languages}, location = {Los Angeles, CA, United States}, number = {POPL}, publisher = {Association for Computing Machinery}, title = {{A new proof rule for almost-sure termination}}, doi = {10.1145/3158121}, volume = {2}, year = {2017}, } @article{21098, abstract = {The growth of crystals of aromatic compounds from water much depends on the nature of the water solubilizing functions that they carry. Rationalizing crystallization from water, and structure elucidation, of aromatic molecular and supramolecular systems is of general value across various fields of chemistry. Taking helical aromatic foldamers as a test case, we have validated several short polar side chains as efficient substituents to provide both solubility in, and crystal growth ability from, water. New 8-amino-2-quinolinecarboxylic acids bearing charged or neutral aminomethyl, carboxymethyl, sulfonic acid, or bis(hydroxymethyl)-methoxy side chains in position 4 or 5, were prepared on a multi gram scale. Fmoc protection of the main chain amine and suitable protections of the side chains ensured compatibility with solid phase synthesis. One tetrameric and five octameric oligoamides displaying these side chains were synthesized and shown to be soluble in water. In all cases but one, crystals were obtained using the hanging drop method, thus validating the initial design principle to combine polarity and rigidity. The only case that resisted crystallization appeared to be due to exceedingly high water solubility endowed by eight sulfonic acid functions. The neutral side chain did provide crystal growth ability from water but contributed poorly to solubility.}, author = {Hu, Xiaobo and Dawson, Simon J. and Mandal, Pradeep K and de Hatten, Xavier and Baptiste, Benoit and Huc, Ivan}, issn = {2041-6539}, journal = {Chemical Science}, number = {5}, pages = {3741--3749}, publisher = {Royal Society of Chemistry}, title = {{Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers}}, doi = {10.1039/c7sc00430c}, volume = {8}, year = {2017}, } @article{21156, abstract = {The crystal structure of the tetradecanucleotide d(CCCCGGTACCGGGG)2 has previously been reported as an A-type double helix at a resolution of 2.5 Å in space group P41. Here, the structure of this sequence was determined at a significantly higher resolution of 1.65 Å in space group P41212. The differences in crystal packing between the former and latter are described. The crystallographic asymmetric unit consists of one tetradecanucleotide duplex that spans more than one full turn of the A-helix. This structure allowed the unambiguous identification of solvent interactions.}, author = {Karthik, Selvam and Thirugnanasambandam, Arunachalam and Mandal, Pradeep K and Gautham, Namasivayam}, issn = {2053-230X}, journal = {Acta Crystallographica Section F Structural Biology Communications}, number = {5}, pages = {259--265}, publisher = {International Union of Crystallography}, title = {{Crystal structure of d(CCGGGGTACCCCGG)2 at 1.4 Å resolution}}, doi = {10.1107/s2053230x17004770}, volume = {73}, year = {2017}, } @article{21157, abstract = {We present here a comparison of three different X-ray crystal structures of DNA tetradecamer sequence d(CCCGGGTACCCGGG)2 all at about 1.7 Å resolution. The sequence was designed as an attempt to form a DNA four-way junction with A-type helical arms. However, in the presence of zinc, magnesium, and in the absence of any metal ion, it does not take up the junction structure, but forms an A-type double helix. This allowed us to study possible conformational changes in the double helix due to the presence of metal ions. Upon addition of the zinc ion, there is a change in the space group from P41212 to P41. The overall conformation of the duplex remains the same. There are small changes in the interaction of the metal ions with the DNA. In the zinc-bound structure, there are two zinc ions that show direct interaction with the N7 atoms of terminal G13 bases at either end of the molecule. There are small changes in the interhelical contacts. The consequence of these differences is to break some of the symmetry and change the space group.}, author = {Karthik, S. and Thirugnanasambandam, A. and Mandal, Pradeep K and Gautham, N.}, issn = {1532-2335}, journal = {Nucleosides, Nucleotides and Nucleic Acids}, number = {5}, pages = {343--354}, publisher = {Informa UK Limited}, title = {{Comparison of X-ray crystal structures of a tetradecamer sequence d(CCCGGGTACCCGGG)2 at 1.7 Å resolution}}, doi = {10.1080/15257770.2017.1287378}, volume = {36}, year = {2017}, } @article{256, abstract = {We show that a non-singular integral form of degree d is soluble over the integers if and only if it is soluble over ℝ and over ℚp for all primes p, provided that the form has at least (d - 1/2 √d)2d variables. This improves on a longstanding result of Birch.}, author = {Browning, Timothy D and Prendiville, Sean}, issn = {0075-4102}, journal = {Journal fur die Reine und Angewandte Mathematik}, number = {731}, pages = {122}, publisher = {Walter de Gruyter}, title = {{Improvements in Birch's theorem on forms in many variables}}, doi = {10.1515/crelle-2014-0122}, volume = {2017}, year = {2017}, } @article{169, abstract = {We show that a twisted variant of Linnik’s conjecture on sums of Kloosterman sums leads to an optimal covering exponent for S3.}, author = {Browning, Timothy D and Kumaraswamy, Vinay and Steiner, Rapael}, journal = {International Mathematics Research Notices}, publisher = {Oxford University Press}, title = {{Twisted Linnik implies optimal covering exponent for S3}}, doi = {10.1093/imrn/rnx116}, year = {2017}, } @article{172, abstract = {We study strong approximation for some algebraic varieties over ℚ which are defined using norm forms. This allows us to confirm a special case of a conjecture due to Harpaz and Wittenberg.}, author = {Browning, Timothy D and Schindler, Damaris}, journal = {International Mathematics Research Notices}, publisher = {Oxford University Press}, title = {{Strong approximation and a conjecture of Harpaz and Wittenberg}}, doi = {10.1093/imrn/rnx252}, year = {2017}, }