@article{1422,
  abstract     = {We study the time-dependent Bogoliubov–de-Gennes equations for generic translation-invariant fermionic many-body systems. For initial states that are close to thermal equilibrium states at temperatures near the critical temperature, we show that the magnitude of the order parameter stays approximately constant in time and, in particular, does not follow a time-dependent Ginzburg–Landau equation, which is often employed as a phenomenological description and predicts a decay of the order parameter in time. The full non-linear structure of the equations is necessary to understand this behavior.},
  author       = {Frank, Rupert and Hainzl, Christian and Schlein, Benjamin and Seiringer, Robert},
  journal      = {Letters in Mathematical Physics},
  number       = {7},
  pages        = {913 -- 923},
  publisher    = {Springer},
  title        = {{Incompatibility of time-dependent Bogoliubov–de-Gennes and Ginzburg–Landau equations}},
  doi          = {10.1007/s11005-016-0847-5},
  volume       = {106},
  year         = {2016},
}

@article{1423,
  abstract     = {Direct reciprocity is a mechanism for the evolution of cooperation based on repeated interactions. When individuals meet repeatedly, they can use conditional strategies to enforce cooperative outcomes that would not be feasible in one-shot social dilemmas. Direct reciprocity requires that individuals keep track of their past interactions and find the right response. However, there are natural bounds on strategic complexity: Humans find it difficult to remember past interactions accurately, especially over long timespans. Given these limitations, it is natural to ask how complex strategies need to be for cooperation to evolve. Here, we study stochastic evolutionary game dynamics in finite populations to systematically compare the evolutionary performance of reactive strategies, which only respond to the co-player's previous move, and memory-one strategies, which take into account the own and the co-player's previous move. In both cases, we compare deterministic strategy and stochastic strategy spaces. For reactive strategies and small costs, we find that stochasticity benefits cooperation, because it allows for generous-tit-for-tat. For memory one strategies and small costs, we find that stochasticity does not increase the propensity for cooperation, because the deterministic rule of win-stay, lose-shift works best. For memory one strategies and large costs, however, stochasticity can augment cooperation.},
  author       = {Baek, Seung and Jeong, Hyeongchai and Hilbe, Christian and Nowak, Martin},
  journal      = {Scientific Reports},
  publisher    = {Nature Publishing Group},
  title        = {{Comparing reactive and memory-one strategies of direct reciprocity}},
  doi          = {10.1038/srep25676},
  volume       = {6},
  year         = {2016},
}

@article{1426,
  abstract     = {Brood parasites exploit their host in order to increase their own fitness. Typically, this results in an arms race between parasite trickery and host defence. Thus, it is puzzling to observe hosts that accept parasitism without any resistance. The ‘mafia’ hypothesis suggests that these hosts accept parasitism to avoid retaliation. Retaliation has been shown to evolve when the hosts condition their response to mafia parasites, who use depredation as a targeted response to rejection. However, it is unclear if acceptance would also emerge when ‘farming’ parasites are present in the population. Farming parasites use depredation to synchronize the timing with the host, destroying mature clutches to force the host to re-nest. Herein, we develop an evolutionary model to analyse the interaction between depredatory parasites and their hosts. We show that coevolutionary cycles between farmers and mafia can still induce host acceptance of brood parasites. However, this equilibrium is unstable and in the long-run the dynamics of this host–parasite interaction exhibits strong oscillations: when farmers are the majority, accepters conditional to mafia (the host will reject first and only accept after retaliation by the parasite) have a higher fitness than unconditional accepters (the host always accepts parasitism). This leads to an increase in mafia parasites’ fitness and in turn induce an optimal environment for accepter hosts.},
  author       = {Chakra, Maria and Hilbe, Christian and Traulsen, Arne},
  journal      = {Royal Society Open Science},
  number       = {5},
  publisher    = {Royal Society, The},
  title        = {{Coevolutionary interactions between farmers and mafia induce host acceptance of avian brood parasites}},
  doi          = {10.1098/rsos.160036},
  volume       = {3},
  year         = {2016},
}

@article{1427,
  abstract     = {Changes in gene expression are an important mode of evolution; however, the proximate mechanism of these changes is poorly understood. In particular, little is known about the effects of mutations within cis binding sites for transcription factors, or the nature of epistatic interactions between these mutations. Here, we tested the effects of single and double mutants in two cis binding sites involved in the transcriptional regulation of the Escherichia coli araBAD operon, a component of arabinose metabolism, using a synthetic system. This system decouples transcriptional control from any posttranslational effects on fitness, allowing a precise estimate of the effect of single and double mutations, and hence epistasis, on gene expression. We found that epistatic interactions between mutations in the araBAD cis-regulatory element are common, and that the predominant form of epistasis is negative. The magnitude of the interactions depended on whether the mutations are located in the same or in different operator sites. Importantly, these epistatic interactions were dependent on the presence of arabinose, a native inducer of the araBAD operon in vivo, with some interactions changing in sign (e.g., from negative to positive) in its presence. This study thus reveals that mutations in even relatively simple cis-regulatory elements interact in complex ways such that selection on the level of gene expression in one environment might perturb regulation in the other environment in an unpredictable and uncorrelated manner.},
  author       = {Lagator, Mato and Igler, Claudia and Moreno, Anaisa and Guet, Calin C and Bollback, Jonathan P},
  journal      = {Molecular Biology and Evolution},
  number       = {3},
  pages        = {761 -- 769},
  publisher    = {Oxford University Press},
  title        = {{Epistatic interactions in the arabinose cis-regulatory element}},
  doi          = {10.1093/molbev/msv269},
  volume       = {33},
  year         = {2016},
}

@inproceedings{1428,
  abstract     = {We report on a mathematically rigorous analysis of the superfluid properties of a Bose- Einstein condensate in the many-body ground state of a one-dimensional model of interacting bosons in a random potential.},
  author       = {Könenberg, Martin and Moser, Thomas and Seiringer, Robert and Yngvason, Jakob},
  booktitle    = {Journal of Physics: Conference Series},
  location     = {Shanghai, China},
  number       = {1},
  publisher    = {IOP Publishing Ltd.},
  title        = {{Superfluidity and BEC in a Model of Interacting Bosons in a Random Potential}},
  doi          = {10.1088/1742-6596/691/1/012016},
  volume       = {691},
  year         = {2016},
}

@article{1429,
  abstract     = {Solitons are localized waves formed by a balance of focusing and defocusing effects. These nonlinear waves exist in diverse forms of matter yet exhibit similar properties including stability, periodic recurrence and particle-like trajectories. One important property is soliton fission, a process by which an energetic higher-order soliton breaks apart due to dispersive or nonlinear perturbations. Here we demonstrate through both experiment and theory that nonlinear photocarrier generation can induce soliton fission. Using near-field measurements, we directly observe the nonlinear spatial and temporal evolution of optical pulses in situ in a nanophotonic semiconductor waveguide. We develop an analytic formalism describing the free-carrier dispersion (FCD) perturbation and show the experiment exceeds the minimum threshold by an order of magnitude. We confirm these observations with a numerical nonlinear Schrödinger equation model. These results provide a fundamental explanation and physical scaling of optical pulse evolution in free-carrier media and could enable improved supercontinuum sources in gas based and integrated semiconductor waveguides.},
  author       = {Husko, Chad and Wulf, Matthias and Lefrançois, Simon and Combrié, Sylvain and Lehoucq, Gaëlle and De Rossi, Alfredo and Eggleton, Benjamin and Kuipers, Laurens},
  journal      = {Nature Communications},
  publisher    = {Nature Publishing Group},
  title        = {{Free-carrier-induced soliton fission unveiled by in situ measurements in nanophotonic waveguides}},
  doi          = {10.1038/ncomms11332},
  volume       = {7},
  year         = {2016},
}

@article{9019,
  abstract     = {Targeting protein–protein interactions has long been considered as a very difficult if impossible task, but over the past decade, front lines have moved. The number of successful examples is exponentially growing. This review presents a rapid overview of recent advances in this field considering the strengths and weaknesses of the small molecule approaches and alternative strategies such as the selection or design of artificial antibodies, peptides or peptidomimetics.},
  author       = {Bakail, May M and Ochsenbein, Francoise},
  issn         = {1631-0748},
  journal      = {Comptes Rendus Chimie},
  keywords     = {General Chemistry, General Chemical Engineering},
  number       = {1-2},
  pages        = {19--27},
  publisher    = {Elsevier},
  title        = {{Targeting protein–protein interactions, a wide open field for drug design}},
  doi          = {10.1016/j.crci.2015.12.004},
  volume       = {19},
  year         = {2016},
}

@article{9051,
  abstract     = {Biological systems often involve the self-assembly of basic components into complex and functioning structures. Artificial systems that mimic such processes can provide a well-controlled setting to explore the principles involved and also synthesize useful micromachines. Our experiments show that immotile, but active, components self-assemble into two types of structure that exhibit the fundamental forms of motility: translation and rotation. Specifically, micron-scale metallic rods are designed to induce extensile surface flows in the presence of a chemical fuel; these rods interact with each other and pair up to form either a swimmer or a rotor. Such pairs can transition reversibly between these two configurations, leading to kinetics reminiscent of bacterial run-and-tumble motion.},
  author       = {Davies Wykes, Megan S. and Palacci, Jérémie A and Adachi, Takuji and Ristroph, Leif and Zhong, Xiao and Ward, Michael D. and Zhang, Jun and Shelley, Michael J.},
  issn         = {1744-6848},
  journal      = {Soft Matter},
  number       = {20},
  pages        = {4584--4589},
  publisher    = {Royal Society of Chemistry},
  title        = {{Dynamic self-assembly of microscale rotors and swimmers}},
  doi          = {10.1039/c5sm03127c},
  volume       = {12},
  year         = {2016},
}

@article{9052,
  abstract     = {We describe colloidal Janus particles with metallic and dielectric faces that swim vigorously when illuminated by defocused optical tweezers without consuming any chemical fuel. Rather than wandering randomly, these optically-activated colloidal swimmers circulate back and forth through the beam of light, tracing out sinuous rosette patterns. We propose a model for this mode of light-activated transport that accounts for the observed behavior through a combination of self-thermophoresis and optically-induced torque. In the deterministic limit, this model yields trajectories that resemble rosette curves known as hypotrochoids.},
  author       = {Moyses, Henrique and Palacci, Jérémie A and Sacanna, Stefano and Grier, David G.},
  issn         = {1744-6848},
  journal      = {Soft Matter},
  keywords     = {General Chemistry, Condensed Matter Physics},
  number       = {30},
  pages        = {6357--6364},
  publisher    = {Royal Society of Chemistry },
  title        = {{Trochoidal trajectories of self-propelled Janus particles in a diverging laser beam}},
  doi          = {10.1039/c6sm01163b},
  volume       = {12},
  year         = {2016},
}

@article{9140,
  abstract     = {Expected changes to future extreme precipitation remain a key uncertainty associated with anthropogenic climate change. Extreme precipitation has been proposed to scale with the precipitable water content in the atmosphere. Assuming constant relative humidity, this implies an increase of precipitation extremes at a rate of about 7% °C−1 globally as indicated by the Clausius‐Clapeyron relationship. Increases faster and slower than Clausius‐Clapeyron have also been reported. In this work, we examine the scaling between precipitation extremes and temperature in the present climate using simulations and measurements from surface weather stations collected in the frame of the HyMeX and MED‐CORDEX programs in Southern France. Of particular interest are departures from the Clausius‐Clapeyron thermodynamic expectation, their spatial and temporal distribution, and their origin. Looking at the scaling of precipitation extreme with temperature, two regimes emerge which form a hook shape: one at low temperatures (cooler than around 15°C) with rates of increase close to the Clausius‐Clapeyron rate and one at high temperatures (warmer than about 15°C) with sub‐Clausius‐Clapeyron rates and most often negative rates. On average, the region of focus does not seem to exhibit super Clausius‐Clapeyron behavior except at some stations, in contrast to earlier studies. Many factors can contribute to departure from Clausius‐Clapeyron scaling: time and spatial averaging, choice of scaling temperature (surface versus condensation level), and precipitation efficiency and vertical velocity in updrafts that are not necessarily constant with temperature. But most importantly, the dynamical contribution of orography to precipitation in the fall over this area during the so‐called “Cevenoles” events, explains the hook shape of the scaling of precipitation extremes.},
  author       = {Drobinski, P. and Alonzo, B. and Bastin, S. and Silva, N. Da and Muller, Caroline J},
  issn         = {2169-897X},
  journal      = {Journal of Geophysical Research: Atmospheres},
  number       = {7},
  pages        = {3100--3119},
  publisher    = {American Geophysical Union},
  title        = {{Scaling of precipitation extremes with temperature in the French Mediterranean region: What explains the hook shape?}},
  doi          = {10.1002/2015jd023497},
  volume       = {121},
  year         = {2016},
}

@article{9456,
  abstract     = {The discovery of introns four decades ago was one of the most unexpected findings in molecular biology. Introns are sequences interrupting genes that must be removed as part of messenger RNA production. Genome sequencing projects have shown that most eukaryotic genes contain at least one intron, and frequently many. Comparison of these genomes reveals a history of long evolutionary periods during which few introns were gained, punctuated by episodes of rapid, extensive gain. However, although several detailed mechanisms for such episodic intron generation have been proposed, none has been empirically supported on a genomic scale. Here we show how short, non-autonomous DNA transposons independently generated hundreds to thousands of introns in the prasinophyte Micromonas pusilla and the pelagophyte Aureococcus anophagefferens. Each transposon carries one splice site. The other splice site is co-opted from the gene sequence that is duplicated upon transposon insertion, allowing perfect splicing out of the RNA. The distributions of sequences that can be co-opted are biased with respect to codons, and phasing of transposon-generated introns is similarly biased. These transposons insert between pre-existing nucleosomes, so that multiple nearby insertions generate nucleosome-sized intervening segments. Thus, transposon insertion and sequence co-option may explain the intron phase biases and prevalence of nucleosome-sized exons observed in eukaryotes. Overall, the two independent examples of proliferating elements illustrate a general DNA transposon mechanism that can plausibly account for episodes of rapid, extensive intron gain during eukaryotic evolution.},
  author       = {Huff, Jason T. and Zilberman, Daniel and Roy, Scott W.},
  issn         = {1476-4687},
  journal      = {Nature},
  number       = {7626},
  pages        = {533--536},
  publisher    = {Springer Nature },
  title        = {{Mechanism for DNA transposons to generate introns on genomic scales}},
  doi          = {10.1038/nature20110},
  volume       = {538},
  year         = {2016},
}

@article{9473,
  abstract     = {Cytosine DNA methylation regulates the expression of eukaryotic genes and transposons. Methylation is copied by methyltransferases after DNA replication, which results in faithful transmission of methylation patterns during cell division and, at least in flowering plants, across generations. Transgenerational inheritance is mediated by a small group of cells that includes gametes and their progenitors. However, methylation is usually analyzed in somatic tissues that do not contribute to the next generation, and the mechanisms of transgenerational inheritance are inferred from such studies. To gain a better understanding of how DNA methylation is inherited, we analyzed purified Arabidopsis thaliana sperm and vegetative cells-the cell types that comprise pollen-with mutations in the DRM, CMT2, and CMT3 methyltransferases. We find that DNA methylation dependency on these enzymes is similar in sperm, vegetative cells, and somatic tissues, although DRM activity extends into heterochromatin in vegetative cells, likely reflecting transcription of heterochromatic transposons in this cell type. We also show that lack of histone H1, which elevates heterochromatic DNA methylation in somatic tissues, does not have this effect in pollen. Instead, levels of CG methylation in wild-type sperm and vegetative cells, as well as in wild-type microspores from which both pollen cell types originate, are substantially higher than in wild-type somatic tissues and similar to those of H1-depleted roots. Our results demonstrate that the mechanisms of methylation maintenance are similar between pollen and somatic cells, but the efficiency of CG methylation is higher in pollen, allowing methylation patterns to be accurately inherited across generations.},
  author       = {Hsieh, Ping-Hung and He, Shengbo and Buttress, Toby and Gao, Hongbo and Couchman, Matthew and Fischer, Robert L. and Zilberman, Daniel and Feng, Xiaoqi},
  issn         = {1091-6490},
  journal      = {Proceedings of the National Academy of Sciences},
  number       = {52},
  pages        = {15132--15137},
  publisher    = {National Academy of Sciences},
  title        = {{Arabidopsis male sexual lineage exhibits more robust maintenance of CG methylation than somatic tissues}},
  doi          = {10.1073/pnas.1619074114},
  volume       = {113},
  year         = {2016},
}

@article{9477,
  abstract     = {Cytosine methylation is a DNA modification with important regulatory functions in eukaryotes. In flowering plants, sexual reproduction is accompanied by extensive DNA demethylation, which is required for proper gene expression in the endosperm, a nutritive extraembryonic seed tissue. Endosperm arises from a fusion of a sperm cell carried in the pollen and a female central cell. Endosperm DNA demethylation is observed specifically on the chromosomes inherited from the central cell in Arabidopsis thaliana, rice, and maize, and requires the DEMETER DNA demethylase in Arabidopsis. DEMETER is expressed in the central cell before fertilization, suggesting that endosperm demethylation patterns are inherited from the central cell. Down-regulation of the MET1 DNA methyltransferase has also been proposed to contribute to central cell demethylation. However, with the exception of three maize genes, central cell DNA methylation has not been directly measured, leaving the origin and mechanism of endosperm demethylation uncertain. Here, we report genome-wide analysis of DNA methylation in the central cells of Arabidopsis and rice—species that diverged 150 million years ago—as well as in rice egg cells. We find that DNA demethylation in both species is initiated in central cells, which requires DEMETER in Arabidopsis. However, we do not observe a global reduction of CG methylation that would be indicative of lowered MET1 activity; on the contrary, CG methylation efficiency is elevated in female gametes compared with nonsexual tissues. Our results demonstrate that locus-specific, active DNA demethylation in the central cell is the origin of maternal chromosome hypomethylation in the endosperm.},
  author       = {Park, Kyunghyuk and Kim, M. Yvonne and Vickers, Martin and Park, Jin-Sup and Hyun, Youbong and Okamoto, Takashi and Zilberman, Daniel and Fischer, Robert L. and Feng, Xiaoqi and Choi, Yeonhee and Scholten, Stefan},
  issn         = {1091-6490},
  journal      = {Proceedings of the National Academy of Sciences},
  keywords     = {Multidisciplinary},
  number       = {52},
  pages        = {15138--15143},
  publisher    = {National Academy of Sciences},
  title        = {{DNA demethylation is initiated in the central cells of Arabidopsis and rice}},
  doi          = {10.1073/pnas.1619047114},
  volume       = {113},
  year         = {2016},
}

@article{9591,
  abstract     = {We give several results showing that different discrete structures typically gain certain spanning substructures (in particular, Hamilton cycles) after a modest random perturbation. First, we prove that adding linearly many random edges to a dense k-uniform hypergraph ensures the (asymptotically almost sure) existence of a perfect matching or a loose Hamilton cycle. The proof involves an interesting application of Szemerédi's Regularity Lemma, which might be independently useful. We next prove that digraphs with certain strong expansion properties are pancyclic, and use this to show that adding a linear number of random edges typically makes a dense digraph pancyclic. Finally, we prove that perturbing a certain (minimum-degree-dependent) number of random edges in a tournament typically ensures the existence of multiple edge-disjoint Hamilton cycles. All our results are tight.},
  author       = {Krivelevich, Michael and Kwan, Matthew Alan and Sudakov, Benny},
  issn         = {1469-2163},
  journal      = {Combinatorics, Probability and Computing},
  number       = {6},
  pages        = {909--927},
  publisher    = {Cambridge University Press},
  title        = {{Cycles and matchings in randomly perturbed digraphs and hypergraphs}},
  doi          = {10.1017/s0963548316000079},
  volume       = {25},
  year         = {2016},
}

@article{100,
  abstract     = {We introduce a scheme for preparation, manipulation, and read out of Majorana zero modes in semiconducting wires with mesoscopic superconducting islands. Our approach synthesizes recent advances in materials growth with tools commonly used in quantum-dot experiments, including gate control of tunnel barriers and Coulomb effects, charge sensing, and charge pumping. We outline a sequence of milestones interpolating between zero-mode detection and quantum computing that includes (1) detection of fusion rules for non-Abelian anyons using either proximal charge sensors or pumped current, (2) validation of a prototype topological qubit, and (3) demonstration of non-Abelian statistics by braiding in a branched geometry. The first two milestones require only a single wire with two islands, and additionally enable sensitive measurements of the system\'s excitation gap, quasiparticle poisoning rates, residual Majorana zero-mode splittings, and topological-qubit coherence times. These pre-braiding experiments can be adapted to other manipulation and read out schemes as well.},
  author       = {Aasen, David and Hell, Michael and Mishmash, Ryan and Higginbotham, Andrew P and Danon, Jeroen and Leijnse, Martin and Jespersen, Thomas and Folk, Joshua and Marcs, Charles and Flensberg, Karsten and Alicea, Jason},
  journal      = {Physical Review X},
  number       = {3},
  publisher    = {American Physical Society},
  title        = {{Milestones toward Majorana-based quantum computing}},
  doi          = {10.1103/PhysRevX.6.031016},
  volume       = {6},
  year         = {2016},
}

@article{101,
  abstract     = {Majorana zero modes are quasiparticle excitations in condensed matter systems that have been proposed as building blocks of fault-tolerant quantum computers. They are expected to exhibit non-Abelian particle statistics, in contrast to the usual statistics of fermions and bosons, enabling quantum operations to be performed by braiding isolated modes around one another. Quantum braiding operations are topologically protected insofar as these modes are pinned near zero energy, with the departure from zero expected to be exponentially small as the modes become spatially separated. Following theoretical proposals, several experiments have identified signatures of Majorana modes in nanowires with proximity-induced superconductivity and atomic chains, with small amounts of mode splitting potentially explained by hybridization of Majorana modes. Here, we use Coulomb-blockade spectroscopy in an InAs nanowire segment with epitaxial aluminium, which forms a proximity-induced superconducting Coulomb island (a â ∼ Majorana islandâ (tm)) that is isolated from normal-metal leads by tunnel barriers, to measure the splitting of near-zero-energy Majorana modes. We observe exponential suppression of energy splitting with increasing wire length. For short devices of a few hundred nanometres, sub-gap state energies oscillate as the magnetic field is varied, as is expected for hybridized Majorana modes. Splitting decreases by a factor of about ten for each half a micrometre of increased wire length. For devices longer than about one micrometre, transport in strong magnetic fields occurs through a zero-energy state that is energetically isolated from a continuum, yielding uniformly spaced Coulomb-blockade conductance peaks, consistent with teleportation via Majorana modes. Our results help to explain the trivial-to-topological transition in finite systems and to quantify the scaling of topological protection with end-mode separation.},
  author       = {Albrecht, S M and Higginbotham, Andrew P and Jespersen, Thomas and Madsen, Morten and Kuemmeth, Ferdinand and Nygård, Jesper and Krogstrup, Peter and Marcus, Charles},
  journal      = {Nature},
  number       = {7593},
  pages        = {206 -- 209},
  publisher    = {Nature Publishing Group},
  title        = {{Exponential protection of zero modes in Majorana islands}},
  doi          = {10.1038/nature17162},
  volume       = {531},
  year         = {2016},
}

@article{102,
  abstract     = {Recent experiments have produced mounting evidence of Majorana zero modes in nanowire-superconductor hybrids. Signatures of an expected topological phase transition accompanying the onset of these modes nevertheless remain elusive. We investigate a fundamental question concerning this issue: Do well-formed Majorana modes necessarily entail a sharp phase transition in these setups? Assuming reasonable parameters, we argue that finite-size effects can dramatically smooth this putative transition into a crossover, even in systems large enough to support well-localized Majorana modes. We propose overcoming such finite-size effects by examining the behavior of low-lying excited states through tunneling spectroscopy. In particular, the excited-state energies exhibit characteristic field and density dependence, and scaling with system size, that expose an approaching topological phase transition. We suggest several experiments for extracting the predicted behavior. As a useful byproduct, the protocols also allow one to measure the wire's spin-orbit coupling directly in its superconducting environment.},
  author       = {Mishmash, Ryan and Aasen, David and Higginbotham, Andrew P and Alicea, Jason},
  journal      = {Physical Review B},
  number       = {24},
  publisher    = {American Physical Society},
  title        = {{Approaching a topological phase transition in Majorana nanowires}},
  doi          = {10.1103/PhysRevB.93.245404},
  volume       = {93},
  year         = {2016},
}

@article{10376,
  abstract     = {Nucleation processes are at the heart of a large number of phenomena, from cloud formation to protein crystallization. A recently emerging area where nucleation is highly relevant is the initiation of filamentous protein self-assembly, a process that has broad implications in many research areas ranging from medicine to nanotechnology. As such, spontaneous nucleation of protein fibrils has received much attention in recent years with many theoretical and experimental studies focusing on the underlying physical principles. In this paper we make a step forward in this direction and explore the early time behaviour of filamentous protein growth in the context of nucleation theory. We first provide an overview of the thermodynamics and kinetics of spontaneous nucleation of protein filaments in the presence of one relevant degree of freedom, namely the cluster size. In this case, we review how key kinetic observables, such as the reaction order of spontaneous nucleation, are directly related to the physical size of the critical nucleus. We then focus on the increasingly prominent case of filament nucleation that includes a conformational conversion of the nucleating building-block as an additional slow step in the nucleation process. Using computer simulations, we study the concentration dependence of the nucleation rate. We find that, under these circumstances, the reaction order of spontaneous nucleation with respect to the free monomer does no longer relate to the overall physical size of the nucleating aggregate but rather to the portion of the aggregate that actively participates in the conformational conversion. Our results thus provide a novel interpretation of the common kinetic descriptors of protein filament formation, including the reaction order of the nucleation step or the scaling exponent of lag times, and put into perspective current theoretical descriptions of protein aggregation.},
  author       = {Šarić, Anđela and Michaels, Thomas C. T. and Zaccone, Alessio and Knowles, Tuomas P. J. and Frenkel, Daan},
  issn         = {1089-7690},
  journal      = {The Journal of Chemical Physics},
  keywords     = {physical and theoretical chemistry, general physics and astronomy},
  number       = {21},
  publisher    = {American Institute of Physics},
  title        = {{Kinetics of spontaneous filament nucleation via oligomers: Insights from theory and simulation}},
  doi          = {10.1063/1.4965040},
  volume       = {145},
  year         = {2016},
}

@article{10377,
  abstract     = {The interplay of membrane proteins is vital for many biological processes, such as cellular transport, cell division, and signal transduction between nerve cells. Theoretical considerations have led to the idea that the membrane itself mediates protein self-organization in these processes through minimization of membrane curvature energy. Here, we present a combined experimental and numerical study in which we quantify these interactions directly for the first time. In our experimental model system we control the deformation of a lipid membrane by adhering colloidal particles. Using confocal microscopy, we establish that these membrane deformations cause an attractive interaction force leading to reversible binding. The attraction extends over 2.5 times the particle diameter and has a strength of three times the thermal energy (−3.3 kBT). Coarse-grained Monte-Carlo simulations of the system are in excellent agreement with the experimental results and prove that the measured interaction is independent of length scale. Our combined experimental and numerical results reveal membrane curvature as a common physical origin for interactions between any membrane-deforming objects, from nanometre-sized proteins to micrometre-sized particles.},
  author       = {van der Wel, Casper and Vahid, Afshin and Šarić, Anđela and Idema, Timon and Heinrich, Doris and Kraft, Daniela J.},
  issn         = {2045-2322},
  journal      = {Scientific Reports},
  keywords     = {multidisciplinary},
  number       = {1},
  publisher    = {Springer Nature},
  title        = {{Lipid membrane-mediated attraction between curvature inducing objects}},
  doi          = {10.1038/srep32825},
  volume       = {6},
  year         = {2016},
}

@article{10378,
  abstract     = {The ability of biological molecules to replicate themselves is the foundation of life, requiring a complex cellular machinery. However, a range of aberrant processes involve the self-replication of pathological protein structures without any additional assistance. One example is the autocatalytic generation of pathological protein aggregates, including amyloid fibrils, involved in neurodegenerative disorders. Here, we use computer simulations to identify the necessary requirements for the self-replication of fibrillar assemblies of proteins. We establish that a key physical determinant for this process is the affinity of proteins for the surfaces of fibrils. We find that self-replication can take place only in a very narrow regime of inter-protein interactions, implying a high level of sensitivity to system parameters and experimental conditions. We then compare our theoretical predictions with kinetic and biosensor measurements of fibrils formed from the Aβ peptide associated with Alzheimer’s disease. Our results show a quantitative connection between the kinetics of self-replication and the surface coverage of fibrils by monomeric proteins. These findings reveal the fundamental physical requirements for the formation of supra-molecular structures able to replicate themselves, and shed light on mechanisms in play in the proliferation of protein aggregates in nature.},
  author       = {Šarić, Anđela and Buell, Alexander K. and Meisl, Georg and Michaels, Thomas C. T. and Dobson, Christopher M. and Linse, Sara and Knowles, Tuomas P. J. and Frenkel, Daan},
  issn         = {1745-2481},
  journal      = {Nature Physics},
  keywords     = {general physics and astronomy},
  number       = {9},
  pages        = {874--880},
  publisher    = {Springer Nature},
  title        = {{Physical determinants of the self-replication of protein fibrils}},
  doi          = {10.1038/nphys3828},
  volume       = {12},
  year         = {2016},
}

