Publications at the Department of Mathematics and Natural Sciences from 2019

Results: 650
Created on: Wed, 07 Dec 2022 23:08:19 +0100 in 0.0496 sec

Karagianni, Alexandra; Tsierkezos, Nikos; Prato, Maurizio; Terrones, Mauricio; Kordatos, Konstantinos V.
Application of carbon-based quantum dots in photodynamic therapy. - In: Carbon, ISSN 0008-6223, Bd. 203 (2023), S. 273-310

Photodynamic Therapy (PDT) is a non-invasive therapeutic modality that can treat a wide variety of cancer types by means of photosensitizer drug, light, and oxygen. Due to enhanced specificity and fewer side effects, PDT can be an alternative approach for cancer treatments. However, conventional photosensitizers (PSs) exhibit low selectivity, hydrophobicity, and limited photophysical properties. Nanotechnology emerges as a potential solution to these issues and improves PDT efficiency. Nanomaterials such as Carbon Quantum Dots (CQDs) and Graphene Quantum Dots (GrQDs) have been widely applied on PDT research recently, regarding their excellent photoluminescence properties, biocompatibility, as well as their hydrophilicity. The present review article summarizes the main features of PDT and carbon-based quantum dots with an emphasis on used PSs and methods for synthesis of carbon dots. Additionally, the most recent applications of CQDs and GrQDs in PDT have been extensively discussed. The main conclusion that arises is that carbon-based quantum dots seem to be a powerful tool in cancer diagnosis and treatment.
Nüske, Feliks; Peitz, Sebastian; Philipp, Friedrich; Schaller, Manuel; Worthmann, Karl
Finite-data error bounds for Koopman-based prediction and control. - In: Journal of nonlinear science, ISSN 1432-1467, Bd. 33 (2023), 1, 14, S. 1-34

The Koopman operator has become an essential tool for data-driven approximation of dynamical (control) systems, e.g., via extended dynamic mode decomposition. Despite its popularity, convergence results and, in particular, error bounds are still scarce. In this paper, we derive probabilistic bounds for the approximation error and the prediction error depending on the number of training data points, for both ordinary and stochastic differential equations while using either ergodic trajectories or i.i.d. samples. We illustrate these bounds by means of an example with the Ornstein-Uhlenbeck process. Moreover, we extend our analysis to (stochastic) nonlinear control-affine systems. We prove error estimates for a previously proposed approach that exploits the linearity of the Koopman generator to obtain a bilinear surrogate control system and, thus, circumvents the curse of dimensionality since the system is not autonomized by augmenting the state by the control inputs. To the best of our knowledge, this is the first finite-data error analysis in the stochastic and/or control setting. Finally, we demonstrate the effectiveness of the bilinear approach by comparing it with state-of-the-art techniques showing its superiority whenever state and control are coupled.
Wang, Cai; Zheng, Chunfang; Zhao, Huaping; Fu, Qun; Lei, Yong
TiO2 thickness-dependent charge transfer effect in p-aminothiophenol molecules chemisorbed on TiO2/Ni substrates. - In: Applied surface science, Bd. 610 (2023), 155573

Semiconductors have been modulated in thickness to optimize their surface-enhanced Raman scattering (SERS) activity in noble metal/semiconductor SERS substrates. However, the charge transfer (CT) resonance mechanism caused by the change of the semiconductor thickness has not been fully clarified yet, due to the influence of the strong surface plasmon resonance (SPR) effect from the noble metals. Here, systems of p-aminothiophenol (PATP) molecules chemisorbed on TiO2/Ni nanopillar array films with precisely controlled TiO2 thicknesses (PATP/TiO2/Ni) were developed to systematically evaluate the TiO2 thickness-dependent CT mechanism on the premise of minimizing the SPR influence. Ultraviolet-visible, photoluminescence and X-ray photoelectron spectroscopy results demonstrated that four parts that ascribed to the SERS enhancement, photo-induced CT from Ni to TiO2, resonance excitation of TiO2, CT from TiO2 surface states to PATP molecules, and the molecular resonance of PATP molecules, are highly TiO2-thickness dependent. Hence the whole system exhibits a strong TiO2-thickness-dependent CT effect (at the two interfaces of Ni-TiO2 and TiO2-PATP) and SERS activity with a maximum SERS intensity at a TiO2 thickness of 40 nm. This work shall be valuable for future developing an optimal metal/semiconductor SERS substrates and obtaining an in-depth understanding of the semiconductor-thickness-dependent charge transfer mechanism for SERS applications.
Link, Steffen; Dimitrova, Anna; Krischok, Stefan; Ivanov, Svetlozar
Electrochemical deposition of silicon in organic electrolytes. - In: Reference module in chemistry, molecular sciences and chemical engineering, (2023)

Electrodeposition is a versatile instrumental technique, already applied in many industrial fields. However, the deposition of silicon and other reactive elements is still challenging and requires further research and improvement. Accomplishing an efficient electrodeposition of silicon at room temperature is very attractive due to the high number of manufacturing technologies that would benefit from this approach. This work provides an overview of the electrochemical approaches for silicon deposition performed in organic electrolytes. The main factors that impact this process are individually discussed and exemplified with appropriately updated literature sources. Furthermore, the previously available research on characterization of electrodeposited silicon containing layers is provided. These studies are presented in the context of better understanding the structure, composition, and functional properties of the deposited silicon material, which may attract the attention of young academic scientists and process engineers.
Behrndt, Jussi; Schmitz, Philipp; Teschl, Gerald; Trunk, Carsten
Relative oscillation theory and essential spectra of Sturm-Liouville operators. - In: Journal of mathematical analysis and applications, ISSN 1096-0813, Bd. 518 (2023), 1, 126673
Aigner-Horev, Elad; Person, Yury
An asymmetric random Rado theorem: 1-statement. - In: Journal of combinatorial theory, Bd. 193 (2023), 105687, S. 1-32

A classical result by Rado characterises the so-called partition-regular matrices A, i.e. those matrices A for which any finite colouring of the positive integers yields a monochromatic solution to the equation Ax=0. We study the asymmetric random Rado problem for the (binomial) random set [n]p in which one seeks to determine the threshold for the property that any r-colouring, r≥2, of the random set has a colour i∈[r] admitting a solution for the matrical equation Aix=0, where A1,…,Ar are predetermined partition-regular matrices pre-assigned to the colours involved. We prove a 1-statement for the asymmetric random Rado property. In the symmetric setting our result retrieves the 1-statement of the symmetric random Rado theorem established in a combination of results by Rödl and Ruciânski [34] and by Friedgut, Rödl and Schacht [11]. We conjecture that our 1-statement in fact unveils the threshold for the asymmetric random Rado property, yielding a counterpart to the so-called Kohayakawa-Kreuter conjecture concerning the threshold for the asymmetric random Ramsey problem in graphs. We deduce the aforementioned 1-statement for the asymmetric random Rado property after establishing a broader result generalising the main theorem of Friedgut, Rödl and Schacht from [11]. The latter then serves as a combinatorial framework through which 1-statements for Ramsey-type problems in random sets and (hyper)graphs alike can be established in the asymmetric setting following a relatively short combinatorial examination of certain hypergraphs. To establish this framework we utilise a recent approach put forth by Mousset, Nenadov and Samotij [26] for the Kohayakawa-Kreuter conjecture.
Qiao, Yu; Zhao, Huaping; Rao, Zhonghao; Lei, Yong
High adsorption graphene oxide prepared by graphite anode from spent lithium-ion batteries for methylene blue removal. - In: Batteries, ISSN 2313-0105, Bd. 8 (2022), 249, 249, S. 1-13

Limited by the service life, a large amount of spent lithium-ion batteries (LIBs) have been produced in recent years. Without proper disposal, spent LIBs can cause environmental pollution and waste of resources. In this paper, we focus on the recycling of the graphite anode (GA) in spent LIBs. GAs from spent LIBs were converted to graphene oxide (GO) through a modified Hummers method. Then the prepared GO was applied to absorb methylene blue in dyeing wastewater under different reaction conditions. The experimental results indicate that GO can quickly and effectively adsorb methylene blue, which also exhibits thermal stability. The maximum adsorption capacity and removal rate are about 833.11 mg/g and 99.95%, respectively. The adsorption kinetics and isotherms were investigated; the adsorption process of GO is more consistent with the pseudo-second-order adsorption kinetic model while the isotherm is close to the Langmuir isotherm. This study is of great significance for the economy and environment. The reaction can turn waste into wealth and is a win-win approach for both spent LIBs recycling and dyeing wastewater cleaning.
Khan, Nida Zaman; Martin, Daniel; Pliquett, Uwe; Zaikou, Yahor; Thomas, Nacke; Heinrich, Doris; Köhler, Michael; Nguyen, Thi-Huong
High-frequency contactless sensor for the detection of Heparin-induced thrombocytopenia antibodies via platelet aggregation. - In: International journal of molecular sciences, ISSN 1422-0067, Bd. 23 (2022), 22, 14395, insges. 13 S.

Heparin-induced thrombocytopenia (HIT), a severe autoimmune disorder, occurs in patients undergoing heparin therapy. The presence of platelet-activating antibodies against platelet factor 4/Heparin in the blood confirms patients suffering from HIT. The most widely used methods for HIT diagnosis are immunoassays but the results only suit to rule out HIT as the assays provide only around 50% specificity. To confirm HIT, samples with positive results in immunoassays are retested in functional assays (>98% specificity) that track platelet-activating antibodies via platelet aggregation. However, the protocols in functional assays are either time-consuming (due to the requirement of the detection of serotonin release) or require highly trained staff for the visualization of platelets. Here, we applied a cheap and easy-to-use contactless sensor, which employs high-frequency microwaves to detect the changes in the resonant frequency caused by platelet aggregation/activation. Analysis of change in conductivity and permittivity allowed us to distinguish between HIT-like (KKO) and non-HIT-like (RTO) antibodies. KKO caused a stronger reduction of conductivity of platelet samples than RTO. Our results imply that the high-frequency contactless sensor can be a promising approach for the development of a better and easier method for the detection of HIT.
Schaller, Manuel; Kleyman, Viktoria; Mordmüller, Mario; Schmidt, Christian; Wilson, Mitsuru; Brinkmann, Ralf; Müller, Matthias A.; Worthmann, Karl
Model predictive control for retinal laser treatment at 1 kHz. - In: Automatisierungstechnik, ISSN 2196-677X, Bd. 70 (2022), 11, S. 992-1002

Laser photocoagulation is a technique applied in the treatment of retinal disease, which is often done manually or using simple control schemes. We pursue an optimization-based approach, namely Model Predictive Control (MPC), to enforce bounds on the peak temperature and, thus, to ensure safety during the medical treatment procedure - despite the spot-dependent absorption of the tissue. The desired laser repetition rate of 1 kHz is renders the requirements on the computation time of the MPC feedback a major challenge. We present a tailored MPC scheme using parametric model reduction, an extended Kalman filter for the parameter and state estimation, and suitably tuned stage costs and verify its applicability both in simulation and experiments with porcine eyes. Moreover, we give some insight on the implementation specifically tailored for fast numerical computations.
Grebinyk, Anna; Prylutska, Svitlana; Grebinyk, Sergii; Ponomarenko, Stanislav; Virych, Pavlo; Chumachenko, Vasyl; Kutsevol, Nataliya; Prylutskyy, Yuriy; Ritter, Uwe; Frohme, Marcus
Drug delivery with a pH-sensitive star-like dextran-graft polyacrylamide copolymer. - In: Nanoscale advances, ISSN 2516-0230, Bd. 4 (2022), 23, S. 5077-5088

The development of precision cancer medicine relies on novel formulation strategies for targeted drug delivery to increase the therapeutic outcome. Biocompatible polymer nanoparticles, namely dextran-graft-polyacrylamide (D-g-PAA) copolymers, represent one of the innovative non-invasive approaches for drug delivery applications in cancer therapy. In this study, the star-like D-g-PAA copolymer in anionic form (D-g-PAAan) was developed for pH-triggered targeted drug delivery of the common chemotherapeutic drugs - doxorubicin (Dox) and cisplatin (Cis). The initial D-g-PAA copolymer was synthesized by the radical graft polymerization method, and then alkaline-hydrolyzed to get this polymer in anionic form for further use for drug encapsulation. The acidification of the buffer promoted the release of loaded drugs. D-g-PAAan nanoparticles increased the toxic potential of the drugs against human and mouse lung carcinoma cells (A549 and LLC), but not against normal human lung cells (HEL299). The drug-loaded D-g-PAAan-nanoparticles promoted further oxidative stress and apoptosis induction in LLC cells. D-g-PAAan-nanoparticles improved Dox accumulation and drugs’ toxicity in a 3D LLC multi-cellular spheroid model. The data obtained indicate that the strategy of chemotherapeutic drug encapsulation within the branched D-g-PAAan nanoparticle allows not only to realize pH-triggered drug release but also to potentiate its cytotoxic, prooxidant and proapoptotic effects against lung carcinoma cells.