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Droplet-based microfluidics has emerged as a powerful technology for the miniaturization and automation of biochemical assays. The replacement of surfactants by nanoparticles as interfacial stabilizers has gained increasing interest.…

Soft Condensed Matter · Physics 2019-06-21 Laura Andreina Chacon Orellana , Jean-Christophe Baret

Crystallization of proteins, specifically proteins of medical relevance, is performed for various reasons such as to understand the protein structure and to design therapies. Obtaining kinetic constants in rate laws for nucleation and…

Using Monte Carlo simulations we study crystallization in the three-dimensional Ising model with four-spin interaction. We monitor the morphology of crystals which grow after placing crystallization seeds in a supercooled liquid. Defects in…

Materials Science · Physics 2009-11-07 A. Lipowski , D. Johnston

The best-understood crystal ordering transition is that of two-dimensional freezing, which proceeds by the rapid eradication of lattice defects as the temperature is lowered below a critical threshold. But crystals that assemble on closed…

Soft Condensed Matter · Physics 2018-02-22 Rodrigo E. Guerra , Colm P. Kelleher , Andrew D. Hollingsworth , Paul M. Chaikin

We evaluate, by means of molecular dynamics simulations employing a realistic DNA coarse-grained model, the phase behaviour and the structural and dynamic properties of tetravalent DNA nanostars, i.e. nanoconstructs completely made of DNA.…

Soft Condensed Matter · Physics 2014-10-01 Lorenzo Rovigatti , Francesca Bomboi , Francesco Sciortino

Gene expression and regulation rely on an apparently finely tuned set of reactions between some proteins and DNA. Such DNA-binding proteins have to find specific sequences on very long DNA molecules and they mostly do so in absence of any…

Biological Physics · Physics 2013-12-02 Maria Barbi , Fabien Paillusson

The dynamics of homogeneous nucleation and growth of crystalline nickel from the super-cooled melt is examined during rapid quenching using molecular dynamics and a modified embedded atom method potential. The character of the critical…

Materials Science · Physics 2009-11-10 F. J. Cherne , M. I. Baskes , R. B. Schwarz , S. G. Srinivasan , W. Klein

We propose that semiflexible polymers in poor solvent collapse in two stages. The first stage is the well known formation of a dense toroidal aggregate. However, if the solvent is sufficiently poor, the condensate will undergo a second…

Soft Condensed Matter · Physics 2009-11-10 Igor M. Kulic , Denis Andrienko , Markus Deserno

TiO$_{2}$ nanoparticles (NPs) have unique photocatalytic properties, which are used in food industries, medicine, biosensorics, and solar energy conversion. Since the toxic properties of TiO$_{2}$ NPs have been insufficiently studied,…

We characterize the equilibrium thermodynamics of a thick polymer confined in a spherical region of space. This is used to gain insight into the DNA packaging process. The experimental reference system for the present study is the recent…

Statistical Mechanics · Physics 2007-05-23 Davide Marenduzzo , Cristian Micheletti

Dynamics of the polymorphic A<->B transitions in DNA is compared for two polypurine sequences, poly(dA).poly(dT) and poly(dG).poly(dC), long known to exhibit contrasting properties in experiments. In free molecular dynamics simulations…

Biomolecules · Quantitative Biology 2007-05-23 Alexey K. Mazur

We propose a model that can account for the experimentally observed phase behavior of DNA-nanoparticle assemblies (R. Jin et al., JACS 125, 1643 (2003); T. A. Taton et al., Science 289, 1757 (2000)). The binding of DNA-coated nano-particles…

Soft Condensed Matter · Physics 2007-05-23 D. B. Lukatsky , Daan Frenkel

The melting transition of deoxyribonucleic acid (DNA), whereby the strands of the double helix structure completely separate at a certain temperature, has been characterized using neutron scattering. A Bragg peak from B-form fibre DNA has…

We study the change of the size and structure of freely suspended single lamella nanoparticles of polyethylene during thermal annealing in aqueous solutions. Using small-angle x-ray scattering and cryogenic transmission electron microscopy,…

The effective DNA-DNA interaction force is calculated by computer simulations with explicit tetravalent counterions and monovalent salt. For overcharged DNA molecules, the interaction force shows a double-minimum structure. The positions…

Biomolecules · Quantitative Biology 2009-11-10 E. Allahyarov , G. Gompper , H. Löwen

While nanoalloys are of paramount scientific and practical interests, the main processes leading to their formation are still poorly understood. Key structural features in the alloy systems, including crystal phase, chemical ordering, and…

We study the folding of RNA secondary structures with quenched sequence randomness by means of the constrained annealing method. A thermodynamic phase transition is induced by including the conformational weight of loop structures. In…

Biological Physics · Physics 2020-02-05 Flavio Iannelli , Yevgeni Mamasakhlisov , Roland R. Netz

Dynamic nuclear polarization (DNP) of molecules in a solution at room temperature has potential to revolutionize nuclear magnetic resonance spectroscopy and imaging. The prevalent methods for achieving DNP in solutions are typically most…

Chemical Physics · Physics 2016-03-02 Qiong Chen , Ilai Schwarz , Fedor Jelezko , Alex Retzker , Martin B Plenio

Crystallization from an amorphous atomic structure is usually seen as a spontaneous process in pursuit of a lower energy state, but for alloy systems it is often hard to elucidate because of the intrinsic structural and compositional…

Materials Science · Physics 2020-04-10 Y. Huang , L. Xie , D. S. He , J. Q. He

The discovery of ultrastable glasses has raised novel challenges about glassy systems. Recent experiments studied the macroscopic devitrification of ultrastable glasses into liquids upon heating but lacked microscopic resolution. We use…

Statistical Mechanics · Physics 2023-04-13 Cecilia Herrero , Camille Scalliet , M. D. Ediger , Ludovic Berthier