Effect of bending and torsion rigidity on self-diffusion in polymer melts: a molecular-dynamics study

Extensive molecular-dynamics simulations have been performed to study the effect of chain conformational rigidity, controlled by bending and torsion potentials, on self-diffusion in polymer melts. The polymer model employs a novel torsion potential that avoids computational singularities without the need to impose rigid constraints on the bending angles. Two power laws are traditionally used to characterize the dependence of the self-diffusion coefficient on polymer length: D proportional to N(-nu) with nu=1 for NNe (reptation regime), Ne being the entanglement length. Our simulations, at constant temperature and density, up to N=250 reveal that, as the chain rigidity increases, the exponent nu gradually increases towards nu=2.0 for NNe. The value of Ne is slightly increased from 70 for flexible chains, up to the point where the crossover becomes undefined. This behavior is confirmed also by an analysis of the bead mean-square displacement. Subsequent investigations of the Rouse modes, dynamical structure factor, and chain trajectories indicate that the pre-reptation regime, for short stiff chains, is a modified Rouse regime rather than reptation.     

Amplitude and phase characterization of weak blue ultrashort pulses by downconversion

We present difference-frequency generation cross-correlation frequency-resolved optical gating, a new method of characterizing the amplitude and phase of weak ultrashort pulses in the blue spectral region. The method uses the spectrally resolved downconversion signal of the blue pulse and a fully characterized reference pulse with a lower center frequency. The amplitude and phase of the blue test pulse are retrieved from the corresponding spectrogram and electric field of the reference pulse with an interactive Fourier-transform algorithm.     

Alternative explanation of stiffening in cross-linked semiflexible networks

Strain stiffening of filamentous protein networks is explored by means of a finite strain analysis of a two-dimensional network model of cross-linked semiflexible filaments. The results show that stiffening is caused by nonaffine network rearrangements that govern a transition from a bending-dominated response at small strains to a stretching-dominated response at large strains. Filament undulations, which are key in the existing explanation of stiffening, merely postpone the transition.     

Tailoring the ultrafast dephasing of quasiparticles in metallic photonic crystals

The ultrafast dephasing of waveguide-plasmon polaritons in metallic photonic crystal slabs is investigated in the femtosecond regime by second-order nonlinear autocorrelation. We find a drastic modification of the dephasing rates due to interaction between localized particle plasmons and optical waveguide modes and subsequent modification of the photonic density of states. In the strong coupling regime our measurements give clear evidence for the appearance of ultrafast polaritonic beat phenomena. All experimental results agree well with theoretical simulations based on a coupled damped harmonic oscillator model.     

Efficient intracavity generation of visible pulses in a femtosecond near-infrared optical parametric oscillator

We have achieved efficient simultaneous intracavity doubling of the signal frequency and sum-frequency generation between the signal and the pump in a periodically poled LiNbO(3) femtosecond optical parametric oscillator pumped by a Ti:sapphire laser. The responsible mechanisms are second-, third-, and fourth-order quasi-phase matching (QPM). An ~56% poling duty cycle permits efficient even-order QPM. Femtosecond pulses tunable in the visible were generated with a total efficiency of more than 8% for only 480-mW pump power at 80 MHz. Optimization of the poling duty cycle can improve the efficiency further.     

Three-dimensional cross-linked F-actin networks: relation between network architecture and mechanical behavior

Numerical simulations are reported for the response of three-dimensional cross-linked F-actin networks when subjected to large deformations. In addition to the physiological parameters such as actin and cross-linker concentration, the model explicitly accounts for filament properties and network architecture. Complementary to two-dimensional studies, we find that the strain-stiffening characteristics depend on network architecture through the local topology around cross-links.     

Large strain torsion of axially-constrained solid rubber bars

Large strain fixed-end torsion of circular solid rubber bars is studied semi-analytically. The analyses are based on various non-Gaussian network models for rubber elasticity, some of which were proposed very recently. Results are presented in terms of predicted torque vs. twist curves and axial force vs. twist curves. In some cases, the predicted stress distributions are also given. The sensitivity of the second-order axial force to the employed models is considered. The predicted results are compared with experimental results found in the literature.     

A Synthetic Adenylation‐Domain‐Based tRNA‐Aminoacylation Catalyst

The incorporation of non‐proteinogenic amino acids represents a major challenge for the creation of functionalized proteins. The ribosomal pathway is limited to the 20–22 proteinogenic amino acids while nonribosomal peptide synthetases (NRPSs) are able to select from hundreds of different monomers. Introduced herein is a fusion‐protein‐based design for synthetic tRNA‐aminoacylation catalysts based on combining NRPS adenylation domains and a small eukaryotic tRNA‐binding domain (Arc1p‐C). Using rational design, guided by structural insights and molecular modeling, the adenylation domain PheA was fused with Arc1p‐C using flexible linkers and achieved tRNA‐aminoacylation with both proteinogenic and non‐proteinogenic amino acids. The resulting aminoacyl‐tRNAs were functionally validated and the catalysts showed broad substrate specificity towards the acceptor tRNA. Our strategy shows how functional tRNA‐aminoacylation catalysts can be created for bridging the ribosomal and nonribosomal worlds. This opens up new avenues for the aminoacylation of tRNAs with functional non‐proteinogenic amino acids.     

Surface versus bulk nucleation of dislocations during contact

The indentation of single crystals by a periodic array of flat rigid contacts is analyzed using discrete dislocation plasticity. Plane strain analyses are carried out with the dislocations all of edge character and modeled as line singularities in a linear elastic solid. The limiting cases of frictionless and perfectly sticking contacts are considered. The effects of contact size, dislocation source density, and dislocation obstacle density and strength on the evolution of the mean indentation pressure are explored, but the main focus is on contrasting the response of crystals having dislocation sources on the surface with that of crystals having dislocation sources in the bulk. When there are only bulk sources, the mean contact pressure for sufficiently large contacts is independent of the friction condition, whereas for sufficiently small contact sizes, there is a significant dependence on the friction condition. When there are only surface dislocation sources the mean contact pressure increases much more rapidly with indentation depth than when bulk sources are present and the mean contact pressure is very sensitive to the strength of the obstacles to dislocation glide. Also, on unloading a layer of tensile residual stress develops when surface dislocation sources dominate.