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Online comment on: "Printing ferromagnetic domains for untethered fast-transforming soft materials"
(2018)
Numerous 2,5-dimethoxy-N-benzylphenethylamines (NBOMe), carrying a variety of lipophilic substituents at the 4-position, are potent agonists at 5-hydroxytryptamine (5HT2A ) receptors and show hallucinogenic effects. The present study investigated the metabolism of 25D-NBOMe, 25E-NBOMe, and 25N-NBOMe using the microsomal model of pooled human liver microsomes (pHLM) and the microbial model of the fungi Cunninghamella elegans (C. elegans). Identification of metabolites was performed using liquid chromatography-high resolution-tandem mass spectrometry (LC-HR-MS/MS) with a quadrupole time-of-flight (QqToF) instrument. In total, 36 25D-NBOMe phase I metabolites, 26 25E-NBOMe phase I metabolites and 24 25N-NBOMe phase I metabolites were detected and identified in pHLM. Furthermore, 14 metabolites of 25D-NBOMe, 11 25E-NBOMe metabolites, and nine 25N-NBOMe metabolites could be found in C. elegans. The main biotransformation steps observed were oxidative deamination, oxidative N-dealkylation also in combination with hydroxylation, oxidative O-demethylation possibly combined with hydroxylation, oxidation of secondary alcohols, mono- and dihydroxylation, oxidation of primary alcohols, and carboxylation of primary alcohols. Additionally, oxidative di-O-demethylation for 25E-NBOMe and reduction of the aromatic nitro group and N-acetylation of the primary aromatic amine for 25N-NBOMe took place. The resulting 25N-NBOMe metabolites were unique for NBOMe compounds. For all NBOMes investigated, the corresponding 2,5-dimethoxyphenethylamine (2C-X) metabolite was detected. This study reports for the first time 25X-NBOMe N-oxide metabolites and hydroxylamine metabolites, which were identified for 25D-NBOMe and 25N-NBOMe and all three investigated NBOMes, respectively. C. elegans was capable of generating all main biotransformation steps observed in pHLM and might therefore be an interesting model for further studies of new psychoactive substances (NPS) metabolism.
Lithium-ion pouch cells with lithium titanate (Li4Ti5O12, LTO) anode and lithium nickel cobalt aluminum oxide (LiNi0.8Co0.15Al0.05O2, NCA) cathode were investigated experimentally with respect to their electrical (0.1C…4C), thermal (5 °C…50 °C) and long-time cycling behavior. The 16 Ah cell exhibits an asymmetric charge/discharge behavior which leads to a strong capacity-rate effect, as well as a significantly temperature-dependent capacity (0.37 Ah ∙ K−1) which expresses as additional high-temperature feature in the differential voltage plot. The cell was cycled for 10,000 cycles inbetween the nominal voltage limits (1.7–2.7 V) with a symmetric 4C constant-current charge/discharge protocol, corresponding to approx. 3400 equivalent full cycles. A small (0.192 mΩ/1000 cycles) but continuous increase of internal resistance was observed. Using electrochemical impedance spectroscopy (EIS), this could be identified to be caused by the NCA cathode, while the LTO anode showed only minor changes during cycling. The temperature-corrected capacity during 4C cycling exhibited a decrease of 1.28%/1000 cycles. The 1C discharge capacity faded by only 4.0% for CC discharge and 2.3% for CCCV discharge after 10,000 cycles. The cell thus exhibits very good internal-resistance stability and excellent capacity retention even under harsh (4C continuous) cycling, demonstrating the excellent stability of LTO as anode material.
One of the bottlenecks hindering the usage of polymer electrolyte membrane fuel cell technology in automotive applications is the highly load-sensitive degradation of the cell components. The cell failure cases reported in the literature show localized cell component degradation, mainly caused by flow-field dependent non-uniform distribution of reactants. The existing methodologies for diagnostics of localized cell failure are either invasive or require sophisticated and expensive apparatus. In this study, with the help of a multiscale simulation framework, a single polymer electrolyte membrane fuel cell (PEMFC) model is exposed to a standardized drive cycle provided by a system model of a fuel cell car. A 2D multiphysics model of the PEMFC is used to investigate catalyst degradation due to spatio-temporal variations in the fuel cell state variables under the highly transient load cycles. A three-step (extraction, oxidation, and dissolution) model of platinum loss in the cathode catalyst layer is used to investigate the cell performance degradation due to the consequent reduction in the electro-chemical active surface area (ECSA). By using a time-upscaling methodology, we present a comparative prediction of cell end-of-life (EOL) under different driving behavior of New European Driving Cycle (NEDC) and Worldwide Harmonized Light Vehicles Test Cycle (WLTC).
On the Fundamental and Practical Aspects of Modeling Complex Electrochemical Kinetics and Transport
(2018)
Numerous technologies, such as batteries and fuel cells, depend on electrochemical kinetics. In some cases, the responsible electrochemistry and charged-species transport is complex. However, to date, there are essentially no general-purpose modeling capabilities that facilitate the incorporation of thermodynamic, kinetic, and transport complexities into the simulation of electrochemical processes. A vast majority of the modeling literature uses only a few (often only one) global charge-transfer reactions, with the rates expressed using Butler–Volmer approximations. The objective of the present paper is to identify common aspects of electrochemistry, seeking a foundational basis for designing and implementing software with general applicability across a wide range of materials sets and applications. The development of new technologies should be accelerated and improved by enabling the incorporation of electrochemical complexity (e.g., multi-step, elementary charge-transfer reactions and as well as supporting ionic and electronic transport) into the analysis and interpretation of scientific results. The spirit of the approach is analogous to the role that Chemkin has played in homogeneous chemistry modeling, especially combustion. The Cantera software, which already has some electrochemistry capabilities, forms the foundation for future capabilities expansion.
Die Heterogenität der Studienanfänger/innen erleben viele Lehrende unmittelbar in den Anfängerveranstaltungen, Heterogenität nicht nur in Bezug auf fachliche Vorbildung, sondern auch bezüglich verfügbaren Lernstrategien, Fertigkeiten, Motivation und
Selbstdisziplin. Schon allein einer 90-minütigen Vorlesung konzentriert zu folgen und die
Ergebnisse strukturiert zu sichern, ist für viele eine sehr große Herausforderung. In diesem Erfahrungsbericht wird das seit dem WS 2015/16
an der Hochschule Offenburg erprobte Potenzial moderner Tablets untersucht, Vorteile
von klassischem handschriftlichen An- und Mitschreiben mit einer Vorstruktur, wie sie
z.B. PPT-Slides ermöglichen, zu vereinen.
Autonome Systeme im Consumerbereich - Was bedeutet die Autonomie technischer Systeme für den Kunden
(2018)
With the need for automatic control based supervisory controllers for complex energy systems, comes the need for reduced order system models representing not only the non-linear behaviour of the components but also certain unknown process dynamics like their internal control logic. At the Institute of Energy Systems Technology in Offenburg we have built a real-life microscale trigeneration plant and present in this paper a rational modelling procedure that satisfies the necessary characteristics for models to be applied in model predictive control for grid-reactive optimal scheduling of this complex energy system. These models are validated against experimental data and the efficacy of the methodology is discussed. Their application in the future for the optimal scheduling problem is also briefly motivated.