Single Stranded DNA Translocation Through A Nanopore: A Master Equation Approach

We study voltage driven translocation of a single stranded (ss) DNA through a membrane channel. Our model, based on a master equation (ME) approach, investigates the probability density function (pdf) of the translocation times, and shows that it can be either double or mono-peaked, depending on the system parameters. We show that the most probable translocation time is proportional to the polymer length, and inversely proportional to the first or second power of the voltage, depending on the initial conditions. The model recovers experimental observations on hetro-polymers when using their properties inside the pore, such as stiffness and polymer-pore interaction.Comment: 7 pages submitted to PR

Translocation of a Single Stranded DNA Through a Conformationally Changing Nanopore

We investigate the translocation of a single stranded DNA through a pore which fluctuates between two conformations, using coupled master equations. The probability density function of the first passage times (FPT) of the translocation process is calculated, displaying a triple, double or mono peaked behavior, depending on the interconversion rates between the conformations, the applied electric field, and the initial conditions. The cumulative probability function of the FPT, in a field-free environment, is shown to have two regimes, characterized by fast and slow timescales. An analytical expression for the mean first passage time of the translocation process is derived, and provides, in addition to the interconversion rates, an extensive characterization of the translocation process. Relationships to experimental observations are discussed.Comment: 8 pages, 5 figures, Biophys. J., in pres

Fast DNA translocation through a solid-state nanopore

We report translocation experiments on double-strand DNA through a silicon oxide nanopore. Samples containing DNA fragments with seven different lengths between 2000 to 96000 basepairs have been electrophoretically driven through a 10 nm pore. We find a power-law scaling of the translocation time versus length, with an exponent of 1.26 $\pm$ 0.07. This behavior is qualitatively different from the linear behavior observed in similar experiments performed with protein pores. We address the observed nonlinear scaling in a theoretical model that describes experiments where hydrodynamic drag on the section of the polymer outside the pore is the dominant force counteracting the driving. We show that this is the case in our experiments and derive a power-law scaling with an exponent of 1.18, in excellent agreement with our data.Comment: 5 pages, 2 figures. Submitted to PR

Anomalous Dynamics of Forced Translocation

We consider the passage of long polymers of length N through a hole in a membrane. If the process is slow, it is in principle possible to focus on the dynamics of the number of monomers s on one side of the membrane, assuming that the two segments are in equilibrium. The dynamics of s(t) in such a limit would be diffusive, with a mean translocation time scaling as N^2 in the absence of a force, and proportional to N when a force is applied. We demonstrate that the assumption of equilibrium must break down for sufficiently long polymers (more easily when forced), and provide lower bounds for the translocation time by comparison to unimpeded motion of the polymer. These lower bounds exceed the time scales calculated on the basis of equilibrium, and point to anomalous (sub-diffusive) character of translocation dynamics. This is explicitly verified by numerical simulations of the unforced translocation of a self-avoiding polymer. Forced translocation times are shown to strongly depend on the method by which the force is applied. In particular, pulling the polymer by the end leads to much longer times than when a chemical potential difference is applied across the membrane. The bounds in these cases grow as N^2 and N^{1+\nu}, respectively, where \nu is the exponent that relates the scaling of the radius of gyration to N. Our simulations demonstrate that the actual translocation times scale in the same manner as the bounds, although influenced by strong finite size effects which persist even for the longest polymers that we considered (N=512).Comment: 13 pages, RevTeX4, 16 eps figure

Dragging a polymer chain into a nanotube and subsequent release

We present a scaling theory and Monte Carlo (MC) simulation results for a flexible polymer chain slowly dragged by one end into a nanotube. We also describe the situation when the completely confined chain is released and gradually leaves the tube. MC simulations were performed for a self-avoiding lattice model with a biased chain growth algorithm, the pruned-enriched Rosenbluth method. The nanotube is a long channel opened at one end and its diameter $D$ is much smaller than the size of the polymer coil in solution. We analyze the following characteristics as functions of the chain end position $x$ inside the tube: the free energy of confinement, the average end-to-end distance, the average number of imprisoned monomers, and the average stretching of the confined part of the chain for various values of $D$ and for the number of monomers in the chain, $N$. We show that when the chain end is dragged by a certain critical distance $x^*$ into the tube, the polymer undergoes a first-order phase transition whereby the remaining free tail is abruptly sucked into the tube. This is accompanied by jumps in the average size, the number of imprisoned segments, and in the average stretching parameter. The critical distance scales as $x^*\sim ND^{1-1/\nu}$. The transition takes place when approximately 3/4 of the chain units are dragged into the tube. The theory presented is based on constructing the Landau free energy as a function of an order parameter that provides a complete description of equilibrium and metastable states. We argue that if the trapped chain is released with all monomers allowed to fluctuate, the reverse process in which the chain leaves the confinement occurs smoothly without any jumps. Finally, we apply the theory to estimate the lifetime of confined DNA in metastable states in nanotubes.Comment: 13pages, 14figure

Applied design thinking in urban air mobility: creating the airtaxi cabin design of the future from a user perspective

In the course of developing digital and future aviation cabin concepts at the German Aerospace Center, the exploration of user-centered and acceptance-enhancing methods plays a central role. The challenge here is to identify the flexible range of requirements of different user groups for a previously non-existent transport concept, to translate these into a concept and to generate a rapid evaluation process by the user groups. Therefore, this paper aims to demonstrate the application of the user-centered Design Thinking method in the design of cabin for future air taxis. Based on the Design Thinking approach and its iterative process steps, the direct implementation is described on the combined airport shuttle and intracity UAM concept. The main focus is on the identification of key user requirements by means of a focus group study and the evaluation of initial cabin designs and key ideas by means of an online survey. Consequently, the creative design process of a digital prototype will be presented. In addition to an increased awareness and acceptance among the population towards a novel mode of transportation, the application of the Design Thinking methodology offers a flexible and user-centered approach for further testing and simulation scenarios.Comment: 13 page

Chaperone-assisted translocation of a polymer through a nanopore

Using Langevin dynamics simulations, we investigate the dynamics of chaperone-assisted translocation of a flexible polymer through a nanopore. We find that increasing the binding energy $\epsilon$ between the chaperone and the chain and the chaperone concentration $N_c$ can greatly improve the translocation probability. Particularly, with increasing the chaperone concentration a maximum translocation probability is observed for weak binding. For a fixed chaperone concentration, the histogram of translocation time $\tau$ has a transition from long-tailed distribution to Gaussian distribution with increasing $\epsilon$. $\tau$ rapidly decreases and then almost saturates with increasing binding energy for short chain, however, it has a minimum for longer chains at lower chaperone concentration. We also show that $\tau$ has a minimum as a function of the chaperone concentration. For different $\epsilon$, a nonuniversal dependence of $\tau$ on the chain length $N$ is also observed. These results can be interpreted by characteristic entropic effects for flexible polymers induced by either crowding effect from high chaperone concentration or the intersegmental binding for the high binding energy.Comment: 10 pages, to appear in J. Am. Chem. So

The development of the philosophy os science: From geocentrism to the universe without a center

O presente artigo tem como tema a passagem do geocentrismo a uma concepção do Universo sem centro. Os debates científicos estão atrelados a uma discussão que perdura no campo filosófico há longa data. O que era de se esperar, pois mesmo a filosofia não sendo propriamente uma ciência é considerada a mãe de todas as ciências. Verifica-se que nos terrenos de propriedade das ciências se encontra muito do que um dia era posse da filosofia, entretanto, nem por isso, ela abdicou de todas essas áreas. A exemplo, o que se discute entorno dos métodos de conhecimento, e aí tangenciam-se os métodos e procedimentos científicos, é algo que filosofia e ciências, de modo geral, discutem conjuntamente. Estas discussões, no entanto, nem sempre são pacíficas e harmoniosas, as disputas se revelam e, ora ou outra, combates são travados entre as duas áreas de pesquisa ou, até mesmo, no interior de ambas. Com isso em mente, procura-se expor o processo de desenvolvimento do que é chamado “Filosofia da Ciência”.This article has as its theme the transition from geocentrism to a conception of the Universe without center. Scientific debates are linked to a discussion that has persisted in the philosophical field for a long time. What was to be expected, because even though philosophy is not exactly a science, it is considered the mother of all sciences. It appears that in the lands owned by the sciences is found much of what once was the possession of philosophy, however, however, it has not abdicated all these areas. For example, what is discussed around methods of knowledge, and where scientific methods and procedures are tangent, is something that philosophy and science, in general, discuss together. These discussions, however, are not always peaceful and harmonious, disputes are revealed and, now or then, fighting is fought between the two areas of research or, even, within both. With that in mind, we seek to expose the development process of what we call “Philosophy of Science”

Vibrational energy relaxation in proteins

An overview of theories related to vibrational energy relaxation (VER) in proteins is presented. VER of a selected mode in cytochrome c is studied using two theoretical approaches. One is the equilibrium simulation approach with quantum correction factors, and the other is the reduced model approach which describes the protein as an ensemble of normal modes interacting through nonlinear coupling elements. Both methods result in estimates of the VER time (sub ps) for a CD stretching mode in the protein at room temperature. The theoretical predictions are in accord with the experimental data of Romesberg's group. A perspective on future directions for the detailed study of time scales and mechanisms for VER in proteins is presented.Comment: 12 pages, 4 figures, accepted for publication in PNA