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11.
SeyedHosein Payandeh Daniel Rentsch Zbigniew Łodziana Ryo Asakura Laurent Bigler Radovan Černý Corsin Battaglia Arndt Remhof 《Advanced functional materials》2021,31(18):2010046
Hydroborate-based solid electrolytes have recently been successfully employed in high voltage, room temperature all-solid-state sodium batteries. The transfer to analogous lithium systems has failed up to now due to the lower conductivity of the corresponding lithium compounds and their high cost. Here LiB11H14 nido-hydroborate as a cost-effective building block and its high-purity synthesis is introduced. The crystal structures of anhydrous LiB11H14 as well as of LiB11H14-based mixed-anion solid electrolytes are solved and high ionic conductivities of 1.1 × 10−4 S cm−1 for Li2(B11H14)(CB11H12) and 1.1 × 10−3 S cm−1 for Li3(B11H14)(CB9H10)2 are obtained, respectively. LiB11H14 exhibits an oxidative stability limit of 2.6 V versus Li+/Li and the proposed decomposition products are discussed based on density functional theory calculations. Strategies are discussed to improve the stability of these compounds by modifying the chemical structure of the nido-hydroborate cage. Galvanostatic cycling in symmetric cells with two lithium metal electrodes shows a small overpotential increase from 22.5 to 30 mV after 620 h (up to 0.5 mAh cm−2), demonstrating that the electrolyte is compatible with metallic anodes. Finally, the Li2(B11H14)(CB11H12) electrolyte is employed in a proof-of-concept half cell with a TiS2 cathode with a capacity retention of 82% after 150 cycles at C/5. 相似文献
12.
Engineering new glass compositions have experienced a sturdy tendency to move forward from (educated) trial-and-error to data- and simulation-driven strategies. In this work, we developed a computer program that combines data-driven predictive models (in this case, neural networks) with a genetic algorithm to design glass compositions with desired combinations of properties. First, we induced predictive models for the glass transition temperature (Tg) using a dataset of 45,302 compositions with 39 different chemical elements, and for the refractive index (nd) using a dataset of 41,225 compositions with 38 different chemical elements. Then, we searched for relevant glass compositions using a genetic algorithm informed by a design trend of glasses having high nd (1.7 or more) and low Tg (500 °C or less). Two candidate compositions suggested by the combined algorithms were selected and produced in the laboratory. These compositions are significantly different from those in the datasets used to induce the predictive models, showing that the used method is indeed capable of exploration. Both glasses met the constraints of the work, which supports the proposed framework. Therefore, this new tool can be immediately used for accelerating the design of new glasses. These results are a stepping stone in the pathway of machine learning-guided design of novel glasses. 相似文献
13.
Bilal Alashkar Alhamwe Daniel P. Potaczek Sarah Miethe Fahd Alhamdan Lukas Hintz Arslan Magomedov Holger Garn 《International journal of molecular sciences》2021,22(9)
Extracellular vesicles (EVs) are membranous structures, which are secreted by almost every cell type analyzed so far. In addition to their importance for cell-cell communication under physiological conditions, EVs are also released during pathogenesis and mechanistically contribute to this process. Here we summarize their functional relevance in asthma, one of the most common chronic non-communicable diseases. Asthma is a complex persistent inflammatory disorder of the airways characterized by reversible airflow obstruction and, from a long-term perspective, airway remodeling. Overall, mechanistic studies summarized here indicate the importance of different subtypes of EVs and their variable cargoes in the functioning of the pathways underlying asthma, and show some interesting potential for the development of future therapeutic interventions. Association studies in turn demonstrate a good diagnostic potential of EVs in asthma. 相似文献
14.
15.
Daniel H. Scharf Pranatchareeya Chankhamjon Dr. Kirstin Scherlach Jan Dworschak Thorsten Heinekamp Martin Roth Prof. Axel A. Brakhage Prof. Dr. Christian Hertweck 《Chembiochem : a European journal of chemical biology》2021,22(2):336-339
Gliotoxin and related epidithiodiketopiperazines (ETP) from diverse fungi feature highly functionalized hydroindole scaffolds with an array of medicinally and ecologically relevant activities. Mutation analysis, heterologous reconstitution, and biotransformation experiments revealed that a cytochrome P450 monooxygenase (GliF) from the human-pathogenic fungus Aspergillus fumigatus plays a key role in the formation of the complex heterocycle. In vitro assays using a biosynthetic precursor from a blocked mutant showed that GliF is specific to ETPs and catalyzes an unprecedented heterocyclization reaction that cannot be emulated with current synthetic methods. In silico analyses indicate that this rare biotransformation takes place in related ETP biosynthetic pathways. 相似文献
16.
Marcus Weyd Christian Pflieger Andy Vogel Hannes Richter Volker Prehn Christiane Günther Frank Splittgerber Alessa Gäbler Daniel Kaulbars Patrick Bräutigam Marcus Franke Samira Lambertz Julian Schlechtweg Ingolf Voigt 《化学,工程师,技术》2021,93(9):1432-1439
Reducing micropollutant pollution of water bodies is an important objective of water management and an integral part of environmental policy. Ceramic nanofiltration membranes were developed as multichannel membranes of increased membrane area and rotating disk filters. The membranes developed show retention of over 80 % for PEG 400. The membranes are currently being tested for the separation of micropollutants from wastewater contaminated with pharmaceuticals. With the help of a downstream oxidative process, the trace substances remaining in the permeate are degraded. 相似文献
17.
Michael Johnson Ricardo Piedrahita Ajay Pillarisetti Matthew Shupler Diana Menya Madeleine Rossanese Samantha Delapeña Neeraja Penumetcha Ryan Chartier Elisa Puzzolo Daniel Pope 《Indoor air》2021,31(5):1441-1457
This study assessed the performance of modeling approaches to estimate personal exposure in Kenyan homes where cooking fuel combustion contributes substantially to household air pollution (HAP). We measured emissions (PM2.5, black carbon, CO); household air pollution (PM2.5, CO); personal exposure (PM2.5, CO); stove use; and behavioral, socioeconomic, and household environmental characteristics (eg, ventilation and kitchen volume). We then applied various modeling approaches: a single-zone model; indirect exposure models, which combine person-location and area-level measurements; and predictive statistical models, including standard linear regression and ensemble machine learning approaches based on a set of predictors such as fuel type, room volume, and others. The single-zone model was reasonably well-correlated with measured kitchen concentrations of PM2.5 (R2 = 0.45) and CO (R2 = 0.45), but lacked precision. The best performing regression model used a combination of survey-based data and physical measurements (R2 = 0.76) and a root mean-squared error of 85 µg/m3, and the survey-only-based regression model was able to predict PM2.5 exposures with an R2 of 0.51. Of the machine learning algorithms evaluated, extreme gradient boosting performed best, with an R2 of 0.57 and RMSE of 98 µg/m3. 相似文献
18.
Elli Ntakou Ralph Masiello Farnaz Farzan Shay Bahramirad Aleksi Paaso M.A. Nayeem Maigha Maigha Daniel Kushner 《The Electricity Journal》2019,32(4):45-49
This paper presents part of the work ComEd and Quanta Technology have performed to quantify the locational and temporal value of DER to avoid distribution grid upgrade investments. It focuses on the formulation of a robust and efficient algorithm for DER optimal dispatch on a distribution feeder to mitigate the violation of current and voltage limits using the allocated cost of capacity and locational marginal value of real and reactive DER injection/withdrawal. 相似文献
19.
Lopez Daniel Andres Sanchez Chagas Luciana Gomes Batista Aline Domingues Guaita Maria Gabriella Detone Amorin Luís Henrique Cardozo da Silva Paulo Rogério Catarini Yamanishi Gustavo Zaia Dimas Augusto Morozin de Santana Henrique Urbano Alexandre 《Journal of Materials Science: Materials in Electronics》2021,32(13):17462-17472
Journal of Materials Science: Materials in Electronics - The increasing demand for lithium-ion batteries has stimulated the investigation of new compounds in order to reduce the costs and the... 相似文献
20.
Gabriel Rodrigues de Almeida Neto Cesar Augusto Gonçalves Beatrice Daniel Rodrigo Leiva Luiz Antonio Pessan 《International Journal of Hydrogen Energy》2021,46(46):23767-23778
This study investigates the preparation of polyetherimide (PEI) – LaNi5 composites films for hydrogen storage. Prior to the polymer addition, LaNi5 was ball-milled at different conditions (250, 350, and 450 RPM) and annealed at 500 °C for 1 h under vacuum. The composites were produced with BM-LaNi5-350 (PEI/LaNi5-350) and annealed BM-LaNi5-350 (PEI/LaNi5-350-TT). Membranes were successfully produced through solvent casting assisted by an ultrasonic bath. The particles dispersion and the film morphology did not change after hydrogenation cycles. In the H2 sorption experiments at 43 °C and 20 bar, the films stored H2 without incubation time; both samples reached a capacity of ~0.6 wt%. The H2 sorption kinetics of PEI/LaNi5-350 was comparable to that of BM-LaNi5-350, whereas PEI/LaNi5-350-TT presented significantly slower kinetics. LaNi5 oxidation was hindered by PEI, showing that it can be explored to improve metal hydrides air resistance. The results demonstrated that PEI films filled with LaNi5 are promising materials for hydrogen storage. 相似文献