Twist-bend instability for toroidal DNA condensates

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 structural transition to a twisted entangled state, in which individual filaments lower their bending energy by additionally orbiting around the mean path along which they wind. This ``topological ripening'' is consistent with known simulations and experimental results. It connects and rationalizes various experimental observations ranging from strong DNA entanglement in viral capsids to the unusually short pitch of the cholesteric phase of DNA in sperm-heads. We propose that topological ripening of DNA toroids could improve the efficiency and stability of gene delivery.Comment: 4 pages, 3 figures, RevTeX4 styl

Mesh-to-raster based non-rigid registration of multi-modal images

Region of interest (ROI) alignment in medical images plays a crucial role in diagnostics, procedure planning, treatment, and follow-up. Frequently, a model is represented as triangulated mesh while the patient data is provided from CAT scanners as pixel or voxel data. Previously, we presented a 2D method for curve-to-pixel registration. This paper contributes (i) a general mesh-to-raster (M2R) framework to register ROIs in multi-modal images; (ii) a 3D surface-to-voxel application, and (iii) a comprehensive quantitative evaluation in 2D using ground truth provided by the simultaneous truth and performance level estimation (STAPLE) method. The registration is formulated as a minimization problem where the objective consists of a data term, which involves the signed distance function of the ROI from the reference image, and a higher order elastic regularizer for the deformation. The evaluation is based on quantitative light-induced fluoroscopy (QLF) and digital photography (DP) of decalcified teeth. STAPLE is computed on 150 image pairs from 32 subjects, each showing one corresponding tooth in both modalities. The ROI in each image is manually marked by three experts (900 curves in total). In the QLF-DP setting, our approach significantly outperforms the mutual information-based registration algorithm implemented with the Insight Segmentation and Registration Toolkit (ITK) and Elastix

The Osmotic Coefficient of Rod-like Polyelectrolytes: Computer Simulation, Analytical Theory, and Experiment

The osmotic coefficient of solutions of rod-like polyelectrolytes is considered by comparing current theoretical treatments and simulations to recent experimental data. The discussion is restricted to the case of monovalent counterions and dilute, salt-free solutions. The classical Poisson-Boltzmann solution of the cell model correctly predicts a strong decrease in the osmotic coefficient, but upon closer look systematically overestimates its value. The contribution of ion-ion-correlations are quantitatively studied by MD simulations and the recently proposed DHHC theory. However, our comparison with experimental data obtained on synthetic, stiff-chain polyelectrolytes shows that correlation effects can only partly explain the discrepancy. A quantitative understanding thus requires theoretical efforts beyond the restricted primitive model of electrolytes.Comment: 16 pages, 2 figure

General Conceptual Framework of Future Wearables in Healthcare: Unified, Unique, Ubiquitous, and Unobtrusive (U4) for Customized Quantified Output

We concentrate on the importance and future conceptual development of wearable devices as the major means of personalized healthcare. We discuss and address the role of wearables in the new era of healthcare in proactive medicine. This work addresses the behavioral, environmental, physiological, and psychological parameters as the most effective domains in personalized healthcare, and the wearables are categorized according to the range of measurements. The importance of multi-parameter, multi-domain monitoring and the respective interactions are further discussed and the generation of wearables based on the number of monitoring area(s) is consequently formulated

A novel method for measuring the bending rigidity of model lipid membranes by simulating tethers

The tensile force along a cylindrical lipid bilayer tube is proportional to the membrane's bending modulus and inversely proportional to the tube radius. We show that this relation, which is experimentally exploited to measure bending rigidities, can be applied with even greater ease in computer simulations. Using a coarse-grained bilayer model we efficiently obtain bending rigidities that compare very well with complementary measurements based on an analysis of thermal undulation modes. We furthermore illustrate that no deviations from simple quadratic continuum theory occur up to a radius of curvature comparable to the bilayer thickness.Comment: 7 pages, 5 figures, 1 tabl

Effective field theory approach to Casimir interactions on soft matter surfaces

We utilize an effective field theory approach to calculate Casimir interactions between objects bound to thermally fluctuating fluid surfaces or interfaces. This approach circumvents the complicated constraints imposed by such objects on the functional integration measure by reverting to a point particle representation. To capture the finite size effects, we perturb the Hamiltonian by DH that encapsulates the particles' response to external fields. DH is systematically expanded in a series of terms, each of which scales homogeneously in the two power counting parameters: \lambda \equiv R/r, the ratio of the typical object size (R) to the typical distance between them (r), and delta=kB T/k, where k is the modulus characterizing the surface energy. The coefficients of the terms in DH correspond to generalized polarizabilities and thus the formalism applies to rigid as well as deformable objects. Singularities induced by the point particle description can be dealt with using standard renormalization techniques. We first illustrate and verify our approach by re-deriving known pair forces between circular objects bound to films or membranes. To demonstrate its efficiency and versatility, we then derive a number of new results: The triplet interactions present in these systems, a higher order correction to the film interaction, and general scaling laws for the leading order interaction valid for objects of arbitrary shape and internal flexibility.Comment: 4 pages, 1 figur

Sufficient reliability of the behavioral and computational readouts of a probabilistic reversal learning task

Task-based measures that capture neurocognitive processes can help bridge the gap between brain and behavior. To transfer tasks to clinical application, reliability is a crucial benchmark because it imposes an upper bound to potential correlations with other variables (e.g., symptom or brain data). However, the reliability of many task readouts is low. In this study, we scrutinized the retest reliability of a probabilistic reversal learning task (PRLT) that is frequently used to characterize cognitive flexibility in psychiatric populations. We analyzed data from N = 40 healthy subjects, who completed the PRLT twice. We focused on how individual metrics are derived, i.e., whether data were partially pooled across participants and whether priors were used to inform estimates. We compared the reliability of the resulting indices across sessions, as well as the internal consistency of a selection of indices. We found good to excellent reliability for behavioral indices as derived from mixed-effects models that included data from both sessions. The internal consistency was good to excellent. For indices derived from computational modeling, we found excellent reliability when using hierarchical estimation with empirical priors and including data from both sessions. Our results indicate that the PRLT is well equipped to measure individual differences in cognitive flexibility in reinforcement learning. However, this depends heavily on hierarchical modeling of the longitudinal data (whether sessions are modeled separately or jointly), on estimation methods, and on the combination of parameters included in computational models. We discuss implications for the applicability of PRLT indices in psychiatric research and as diagnostic tools

Theory and simulations of rigid polyelectrolytes

We present theoretical and numerical studies on stiff, linear polyelectrolytes within the framework of the cell model. We first review analytical results obtained on a mean-field Poisson-Boltzmann level, and then use molecular dynamics simulations to show, under which circumstances these fail quantitatively and qualitatively. For the hexagonally packed nematic phase of the polyelectrolytes we compute the osmotic coefficient as a function of density. In the presence of multivalent counterions it can become negative, leading to effective attractions. We show that this results from a reduced contribution of the virial part to the pressure. We compute the osmotic coefficient and ionic distribution functions from Poisson-Boltzmann theory with and without a recently proposed correlation correction, and also simulation results for the case of poly(para-phenylene) and compare it to recently obtained experimental data on this stiff polyelectrolyte. We also investigate ion-ion correlations in the strong coupling regime, and compare them to predictions of the recently advocated Wigner crystal theories.Comment: 32 pages, 15 figures, proceedings of the ASTATPHYS-MEX-2001, to be published in Mol. Phy