Publications at the Department of Mathematics and Natural Sciences from 2019

Results: 897
Created on: Sun, 28 Apr 2024 16:37:13 +0200 in 0.0605 sec


Wu, Yanjie; Yang, Huaqin; Li, Wei; Mattea, Carlos; Stapf, Siegfried; Zhang, Letian; Ye, Chunlin; Ye, Xiaofeng
Tailored crystalline order of nascent polyethylene from metallocene supported on confined polystyrene. - In: Catalysis today, ISSN 1873-4308, Bd. 368 (2021), S. 272-280

Building the desirable superstructure of polyethylene is one of the important topics for developing high value-added products, which brings potential benefits for society and sustainable development. Crystalline order is the ubiquitous superstructure for enhancing mechanical properties of polymeric materials. In this work, polystyrene copolymers (c-PS) are incorporated into pores of silica through the wet-impregnation procedure of styrene and p-chloromethyl styrene followed by the in-situ free-radical copolymerization. Metallocene catalyst is further immobilized on supported silica. This incorporated c-PS is proved to be coated on the surface of silica pore walls rather than blocking the interparticle channels. The swelling behavior of c-PS inside the pores are performed by pulsed field gradient NMR (PFG-NMR) and thermoporosimetry (TPM-DSC), where a swelling behavior is shown in the toluene owing to the matched solubility parameters between the c-PS and toluene. According to the swelling behavior of c-PS confined in the pores, a compartmentalization is created hindering the formation of chain overlaps and increasing the crystallinity order of nascent polymers. As a result, the nascent polyethylene with a high crystallinity (i.e., bulk crystallinity Xc,DSC=72.9 % and linear crystallinity Xc,WAXD=90.5 %) is synthesized. There is a considerable activity (i.e., 3.8×106 g PE&hahog;(molZr&hahog;h)^-1) at 70˚C. Finally, the particle morphology of the nascent polyethylene is investigated based on the swelling behavior of c-PS.



https://doi.org/10.1016/j.cattod.2019.12.032
Selzer, Silas Aaron; Bauer, Fabian; Bohm, Sebastian; Bretschneider, Peter; Runge, Erich
Physik-geführte NARXnets (PGNARXnets) zur Zeitreihenvorhersage. - In: Proceedings 31. Workshop Computational Intelligence, (2021), S. 235-261

Wagner, Christoph; Gläser, Georg; Sasse, Thomas; Kell, Gerald; Del Galdo, Giovanni
Make some noise: energy-efficient 38 Gbit/s wide-range fully-configurable linear feedback shift register. - In: SMACD / PRIME 2021, (2021), S. 384-387

https://ieeexplore.ieee.org/document/9547997
Hurmach, Vasyl; Platonov, Maxim; Prylutska, Svitlana; Klestova, Zinaida; Cherepanov, Vsevolod; Prylutskyy, Yuriy; Ritter, Uwe
Anticoronavirus activity of water-soluble pristine C60 fullerenes: in vitro and in silico screenings. - In: Basic science and therapy development, (2021), S. 159-172

Introduction: The emergence of a new member of the Coronaviridae family, which caused the 2020 pandemic, requires detailed research on the evolution of coronaviruses, their structure and properties, and interaction with cells. Modern nanobiotechnologies can address the many clinical challenges posed by the COVID-19 pandemic. In particular, they offer new therapeutic approaches using biocompatible nanostructures with “specific” antiviral activity. Therefore, the nanosized spherical-like molecule (0.72 nm in diameter) composed of 60 carbon atoms, C60 fullerene, is of interest in terms of fighting coronaviruses due to its high biological activity. In here, we aim to evaluate the effectiveness of anticoronavirus action of water-soluble pristine C60 fullerene in the model and in vitro systems. As a model, apathogenic for human coronavirus, we used transmissible gastroenteritis virus of swine (TGEV), which we adapted to the BHK-21 cell culture (kidney cells of a newborn Syrian hamster).Methods: The shape and size of the particles present in C60 fullerene aqueous colloidal solution (C60FAS) of given concentration, as well as C60FAS stability (value of zeta potential) were studied using microscopic (STM, scanning tunneling microscopy, and AFM, atomic force microscopy) and spectroscopic (DLS, dynamic light scattering) methods. The cytopathic effect of TGEV was determined with the help of a Leica DM 750 microscope and the degree of monolayer changes in cells was assessed. The microscopy of the viral suspension was performed using a high resolution transmission electron microscope (HRTEM; JEM-1230, Japan). Finally, the search for and design of optimal possible complexes between C60 fullerene and target proteins in the structure of SARS-CoV-2 coronavirus, evaluation of their stability in the simulated cellular environment were performed using molecular dynamics and docking methods.Results: It was found that the maximum allowable cytotoxic concentration of C60 fullerene is 37.5 ± 3.0 [my]g/ml. The investigated C60FAS reduces the titer of coronavirus infectious activity by the value of 2.00 ± 0.08 TCID50/ml. It was shown that C60 fullerene interacts directly with SARS-CoV-2 proteins, such as RdRp (RNA-dependent RNA polymerase) and 3CLpro (3-chymotrypsin-like protease), which is critical for the life cycle of the coronavirus and, thus, inhibits its functional activity. In both cases, C60 fullerene fills the binding pocket and gets stuck there through stacking and steric interactions.Conclusion: Pioneer in vitro study to identify the anticoronavirus activity of water-soluble pristine C60 fullerenes indicates that they are highly promising for further preclinical studies, since a significant inhibition of the infectious activity of swine coronavirus of transmissible gastroenteritis in BHK-21 cell culture was found. According to molecular modeling results, it was shown that C60 fullerene can create the stable complexes with 3CLpro and RdRp proteins of SARS-CoV-2 coronavirus and, thus, suppress its functional activity.



Bouza, Gemayqzel; Quintana, Ernest; Tammer, Christiane
On Clarke's subdifferential of marginal functions. - In: Applied set-valued analysis and optimization, ISSN 2562-7783, Bd. 3 (2021), 3, S. 281-292

In this paper, we derive an upper estimate of the Clarke subdifferential of marginal functions in Banach spaces. The structure of the upper estimate is very similar to other results already obtained in the literature. The novelty lies on the fact that we derive our assertions in general Banach spaces, and avoid the use of the Asplund assumption.



https://doi.org/10.23952/asvao.3.2021.3.03
Mordmüller, Mario; Kleyman, Viktoria; Schaller, Manuel; Wilson, Mitsuru; Worthmann, Karl; Müller, Matthias A.; Brinkmann, Ralf
Towards model-based control techniques for retinal laser treatment using only one laser. - In: Opto-Acoustic Methods and Applications in Biophotonics V, (2021), S. 1192305-1-1192305-3

Repetitively applied laser pulses are used for tissue heating and temperature measurement. The potential of model-based control techniques for temperature regulation by adjusting the energy of the heating pulses is explored.



https://doi.org/10.1117/12.2615851
Zheng, Yan; Yi, Jue-Min; Wang, Wenxin; Silies, Martin; Zhang, Yufeng; Lienau, Christoph; Lei, Yong
Centimeter-scale gold nanoparticle arrays for spatial mapping of the second harmonic and two-photon luminescence. - In: ACS applied nano materials, ISSN 2574-0970, Bd. 4 (2021), 11, S. 11563-11572

Fabricating highly homogeneous plasmonic nanostructures over a large area and optically evaluating their structural quality are challenging. Here, we propose an elegant approach to achieve various dense nanoparticle arrays with tunable symmetries over centimeter-scale dimensions and optically evaluate the structural quality by spatially mapping nonlinear emissions from L-, U-, and O-shaped individual nanoparticles. In particular, the spectral overlapping of the second harmonic (SH) and two-photon luminescence (TPL) emissions is separated, and excitation polarization dependence and spatial fluctuations of the nonlinear signal across the nanostructures are investigated. Narrow Gaussian-distributed peaks in the intensity histogram of SH and TPL emissions confirm the high-level uniformity of the fabricated arrays. Distinct spatial distributions of SH and TPL emissions are observed, and their spatial correlation is very weak over large-area nanostructures. Furthermore, SH signals are demonstrated as a more sensitive indicator of the structural quality of nanoparticle arrays. Our findings not only offer an efficient way of constructing versatile large-scale nanostructures but also enable spatial nonlinear optics tailoring for applications of nano-optics and quantum information.



https://doi.org/10.1021/acsanm.1c02020
Duan, Yu; Feng, Shuanglong; Zhang, Kun; Qiu, Jiajia; Zhang, Sam
Vertical few-layer WSe2 nanosheets for NO2 sensing. - In: ACS applied nano materials, ISSN 2574-0970, Bd. 4 (2021), 11, S. 12043-12050

WSe2 has been widely used in NO2 gas sensors in recent years, but it still suffers from low responsiveness and slow reaction kinetics. Herein, we used the chemical vapor deposition method to synthesize a vertically grown few-layer WSe2 (3D-WSe2) nanosheet film. Three-dimensional-WSe2 is transformed into vertical growth by introducing a TiO2 buffer layer and exposes much more edge active sites to improve gas sensitivity. As a result, it has not only high crystallinity and few defects but also a high response to NO2 (34.6% at 1 ppm), a fast response time (66 s), a short recovery time (17 min), a low limit of detection (4 ppb), excellent stability, and gas selectivity at room temperature.



https://doi.org/10.1021/acsanm.1c02603
Sauerteig, Philipp; Baumann, Manuel; Dickert, Jörg; Grundel, Sara; Worthmann, Karl
Reducing transmission losses via reactive power control. - In: Mathematical modeling, simulation and optimization for power engineering and management, (2021), S. 219-232

Modern smart grids are required to transport electricity along transmission lines from the renewable energy sources to the customer’s demand in an efficient manner. It is inevitable that power is lost along these lines due to active as well as reactive power flows. However, the losses caused by reactive power flows can be reduced by optimizing the power factor. Therefore, we propose a power flow optimization problem aiming to reduce losses by controlling the power factors within the low-voltage electricity grid online. Furthermore, we show the potential of the proposed scheme in a numerical case study for two scenarios based on real-world data provided by a German distribution system operator.



Aschenbruck, Tim; Baumann, Manuel; Esterhuizen, Willem; Filipecki, Bartosz; Grundel, Sara; Helmberg, Christoph; Ritschel, Tobias K. S.; Sauerteig, Philipp; Streif, Stefan; Worthmann, Karl
Optimization and stabilization of hierarchical electrical networks. - In: Mathematical modeling, simulation and optimization for power engineering and management, (2021), S. 171-198

Triggered by the increasing number of renewable energy sources, the German electricity grid is undergoing a fundamental change from mono to bidirectional power flow. This paradigm shift confronts grid operators with new problems but also new opportunities. In this chapter we point out some of these problems arising on different layers of the grid hierarchy and sketch mathematical methods to handle them. While the transmission system operator’s main concern is stability and security of the system in case of contingencies, the distribution system operator aims to exploit inherent flexibilities. We identify possible interconnections among the layers to make the flexibility from the distribution grid available within the whole network. Our presented approaches include: the distributed control of energy storage devices on a residential level; transient stability analysis via a new set-based approach; a new clustering-based model-order reduction technique; and a modeling framework for the power flow problem on the transmission level which incorporates new grid technologies.