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We employ Langevin-dynamics simulations to unveil non-Brownian and non-Gaussian center-of-mass self-diffusion of massive flexible dumbbell-shaped particles in crowded two-dimensional solutions. We study the intradumbbell dynamics of the relative motion of the two constituent elastically coupled disks. Our main focus is on effects of the crowding fraction phi and of the particle structure on the diffusion characteristics. We evaluate the time-averaged mean-squared displacement (TAMSD), the displacement probability-density function (PDF), and the displacement autocorrelation function (ACF) of the dimers. For the TAMSD at highly crowded conditions of dumbbells, e.g., we observe a transition from the short-time ballistic behavior, via an intermediate subdiffusive regime, to long-time Brownian-like spreading dynamics. The crowded system of dimers exhibits two distinct diffusion regimes distinguished by the scaling exponent of the TAMSD, the dependence of the diffusivity on phi, and the features of the displacement-ACF. We attribute these regimes to a crowding-induced transition from viscous to viscoelastic diffusion upon growing phi. We also analyze the relative motion in the dimers, finding that larger phi suppress their vibrations and yield strongly non-Gaussian PDFs of rotational displacements. For the diffusion coefficients D(phi) of translational and rotational motion of the dumbbells an exponential decay with phi for weak and a power-law variation D(phi) proportional to (phi - phi(star))(2.4) for strong crowding is found. A comparison of simulation results with theoretical predictions for D(phi) is discussed and some relevant experimental systems are overviewed.
Sven Siefken und Hilmar Rommetvedt (Hrsg.). 2021. Parliamentary committees in the policy process
(2023)
In this study we present a novel method for the automatic detection of minerals and elements using hyperspectral transmittance imaging microscopy measurements of complete thin sections (HyperTIM).
This is accomplished by using a hyperspectral camera system that operates in the visible and near-infrared (VNIR) range with a specifically designed sample holder, scanning setup, and a microscope lens.
We utilize this method on a monazite ore thin section from Steenkampskraal (South Africa), which we analyzed for the rare earth element (REE)-bearing mineral monazite ((Ce,Nd,La)PO4), with high concentrations of Nd. The transmittance analyses with the hyperspectral VNIR camera can be used to identify REE minerals and Nd in thin sections.
We propose a three-point band depth index, the Nd feature depth index (NdFD), and its related product the Nd band depth index (NdBDI), which enables automatic mineral detection and classification for the Nd-bearing monazites in thin sections. In combination with the average concentration of the relative Nd content, it permits a destruction-free, total concentration calculation for Nd across the entire thin section.
We consider the spatiotemporal states of an ensemble of nonlocally coupled nonidentical phase oscillators, which correspond to different regimes of the long-term evolution of such a system. We have obtained homogeneous, twisted, and nonhomogeneous stationary solutions to the Ott-Antonsen equations corresponding to key variants of the realized collective rotational motion of elements of the medium in question with nonzero mesoscopic characteristics determining the degree of coherence of the dynamics of neighboring particles. We have described the procedures of the search for the class of nonhomogeneous solutions as stationary points of the auxiliary point map and of determining the stability based on analysis of the eigenvalue spectrum of the composite operator. Static and breather cluster regimes have been demonstrated and described, as well as the regimes with an irregular behavior of averaged complex fields including, in particular, the local order parameter.
Groundwater recharge (GWR) is one of the most challenging water fluxes to estimate, as it relies on observed data that are often limited in many developing countries.
This study developed an innovative water budget method using satellite products for estimating the spatially distributed GWR at monthly and annual scales in tropical wet sedimentary regions despite cloudy conditions.
The distinctive features proposed in this study include the capacity to address 1) evapotranspiration estimations in tropical wet regions frequently overlaid by substantial cloud cover; and 2) seasonal root-zone water storage estimations in sedimentary regions prone to monthly variations.
The method also utilises satellite-based information of the precipitation and surface runoff. The GWR was estimated and validated for the hydrologically contrasting years 2016 and 2017 over a tropical wet sedimentary region located in North-eastern Brazil, which has substantial potential for groundwater abstraction.
This study showed that applying a cloud-cleaning procedure based on monthly compositions of biophysical data enables the production of a reasonable proxy for evapotranspiration able to estimate groundwater by the water budget method.
The resulting GWR rates were 219 (2016) and 302 (2017) mm yr(-1), showing good correlations (CC = 0.68 to 0.83) and slight underestimations (PBIAS =-13 to-9%) when compared with the referenced estimates obtained by the water table fluctuation method for 23 monitoring wells. Sensitivity analysis shows that water storage changes account for +19% to-22% of our monthly evaluation.
The satellite-based approach consistently demonstrated that the consideration of cloud-cleaned evapotranspiration and root-zone soil water storage changes are essential for a proper estimation of spatially distributed GWR in tropical wet sedimentary regions because of their weather seasonality and cloudy conditions.
Don’t settle for less
(2021)
The Levenberg–Marquardt regularization for the backward heat equation with fractional derivative
(2022)
The backward heat problem with time-fractional derivative in Caputo's sense is studied. The inverse problem is severely ill-posed in the case when the fractional order is close to unity. A Levenberg-Marquardt method with a new a posteriori stopping rule is investigated. We show that optimal order can be obtained for the proposed method under a Hölder-type source condition. Numerical examples for one and two dimensions are provided.
Never again?
(2023)
The Holocaust was the most terrible atrocity of the 20th century. In many ways, it was also unprecedented in the history of atrocities: for its comprehensiveness and systematic nature; for the fanaticism with which its perpetrators scoured an entire continent in their pursuit of Jews; for the awful potency of the Nazis’ insinuation that the victims represented a pernicious and existential threat. Collectively, we have spent decades—and published millions of words—trying to understand what happened and why.
PC2P
(2021)
Motivation:
Prediction of protein complexes from protein-protein interaction (PPI) networks is an important problem in systems biology, as they control different cellular functions. The existing solutions employ algorithms for network community detection that identify dense subgraphs in PPI networks. However, gold standards in yeast and human indicate that protein complexes can also induce sparse subgraphs, introducing further challenges in protein complex prediction.
Results:
To address this issue, we formalize protein complexes as biclique spanned subgraphs, which include both sparse and dense subgraphs. We then cast the problem of protein complex prediction as a network partitioning into biclique spanned subgraphs with removal of minimum number of edges, called coherent partition. Since finding a coherent partition is a computationally intractable problem, we devise a parameter-free greedy approximation algorithm, termed Protein Complexes from Coherent Partition (PC2P), based on key properties of biclique spanned subgraphs. Through comparison with nine contenders, we demonstrate that PC2P: (i) successfully identifies modular structure in networks, as a prerequisite for protein complex prediction, (ii) outperforms the existing solutions with respect to a composite score of five performance measures on 75% and 100% of the analyzed PPI networks and gold standards in yeast and human, respectively, and (iii,iv) does not compromise GO semantic similarity and enrichment score of the predicted protein complexes. Therefore, our study demonstrates that clustering of networks in terms of biclique spanned subgraphs is a promising framework for detection of complexes in PPI networks.