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opencc-by-4.0Sep 2020View details →

FIB-tomography data of Ni-YSZ anodes for Solid Oxide Fuel Cells (SOFC): Comparison of pristine and degraded materials (before/after redox cycling)

Contents: This dataset contains 3D image stacks acquired with FIB-tomography from Ni-YSZ cermet anodes for Solid Oxide Fuel Cells (SOFC). The data was collected from three different Ni-YSZ anodes (fine-, medium- and coarse-grained). Each of these anodes was investigated first in pristine state (after sintering and reduction) and then also in degraded state (after exposure to 8 redox cycles). The 6 tomographs are then presented as stacks of 2D-tiff-images in 2 different versions: as gray-scale images (raw data) and as segmented images (Ni=white, YSZ=gray and pores=black). In total this gives 12 image stacks. Further details, such as the voxel resolutions and image window sizes are listed in the downloadable excel file (2_3D_Data_Info.xlsx).   Scientific Context: The microstructures of the cermet anodes were investigated for the purpose of optimizing the anode performance, which depends on effective transport properties (i.e. conductivity of ions in YSZ and of electrons in Ni, as well as diffusivity of fuel/gas in the pores). Furthermore the anode performance also depends on the catalytic/electrochemical activity (i.e. Ni-surface area and three phase boundary length TPBL). The microstructure characteristics have a strong influence on effective properties, electrochemical activity and associated anode performance. Furthermore, microstructure degradation (e.g. by Ni-coarsening) may lead to performance loss over time. Hence, the investigations focus on a fundamental, quentitative understanding of the relationships between microstructure characteristics and effective properties. The study reveals quantitative descriptions of all relevant microstructure characteristics (porosity, tortuosity, constrictivity, surface/interface areas, TPBL) and of the corresponding effective transport porperties (electric and ionic.conductivities). The corresponding anode performance was characterized by impedance spectroscopy. The quantitative results of the microstructure investigation were published in: Pecho et al 2015a (doi:10.3390/ma8095265), Pecho et al 2015b (doi:10.3390/ma8105370), Holzer et al 2013 (doi: 10.1016/j.jpowsour.2013.05.047), Holzer et al 2011a (doi: 10.1016/j.jpowsour.2010.08.017) and Holzer et al 2011b (doi: 10.1016/j.jpowsour.2010.08.006).

opencc-by-4.0Nov 2020View details →

Reversible H2 Oxidation and Evolution by Hydrogenase Embedded in a Redox Polymer Film - Original Data

Original data files of the Nature catalysis manuscript submission NATCATAL-20033655A.  The data is named according to the corresponding figure captions of teh manuscript main text and the supporting information. A text document lists the figure titles that corresponds to the figure numbers. Fig1, Scheme S1, Scheme S2, FigS 51 are general schemes without any underlying data and are, therefore, not listed here.

opencc-zeroMay 2020View details →

Data from: Biosynthesis of the redox coenzyme F420 in Thermomicrobia involves reduction by standalone nitroreductase superfamily enzymes.

Coenzyme F420 is a redox cofactor involved in hydride transfer reactions in archaea and bacteria. Since F420-dependent enzymes are attracting increasing interest as tools in biocatalysis, F420 biosynthesis is being revisited. While it was commonly accepted for long that the 2-phospho-l-lactate (2-PL) moiety of F420 is formed from free 2-PL, it was recently shown that PEP is incorporated in Actinobacteria and that the C-terminal domain of the FbiB protein, a member of the nitroreductase superfamily (NTR), converts dehydro-F420 into saturated F420. Outside the Actinobacteria, however, the situation is still unclear because FbiB is missing in these organisms and enzymes of the NTR family are highly diversified. Here, we show by heterologous expression and in-vitro assays that standalone NTR enzymes from Thermomicrobia exhibit dehydro-F420 reductase activity. Metabolome analysis and proteomics studies confirmed the proposed biosynthetic pathway in Thermomicrobium roseum. These results clarify the biosynthetic route of coenzyme F420 in a class of Gram-negative bacteria, redefine functional subgroups of the NTR superfamily, and offer an alternative for large-scale production of F420 in E. coli in the future.

opencc-zeroNov 2023View details →

Kinetics of the redox reactions in STEAP1 and STEAP2

The data repository includes the kinetic data of the redox reactions in STEAP1 and STEAP2, which are presented in "Mechanism of stepwise electron transfer in six-transmembrane epithelial antigen of the prostate (STEAP) 1 and 2" by Kehan Chen, Lie Wang, Jiemin Shen, Ah-lim Tsai, Ming Zhou and Gang Wu. The data include: 1) the reduction of ferric STEAP1 by reduced FADH2 and ferrous STEAP2; 2) the reduction of ferric STEAP1 by cytochrome b5 reductase; 3) the reduction of ferric STEAP2 with NADPH; and 4) the oxidation of ferrous STEAP1 and STEAP2 by ferric.NTA.

opencc-by-4.0Jul 2023View details →

Dataset for On the Tunability of Toxicity for Viologen-Derivatives as Anolyte for Neutral Aqueous Organic Redox Flow Batteries

Dataset of the results published in ChemSusChem 10.1002/cssc.202300626. Viologen-derivatives are the most widely used redox organic molecules for neutral pH negative electrolyte of redox flow batteries. However, the long-established toxicity of the herbicide methyl-viologen raises concern for deployment of viologen-derivatives at large scale in flow batteries. Herein, we demonstrate the radically different cytotoxicity and toxicology of a series of viologen-derivatives in in vitro assays using model organisms representative of human and environmental exposure, namely human lung carcinoma epithelial cell line (A549) and the yeast Saccharomyces cerevisiae. The results show that safe viologen derivatives can be molecularly engineered, representing a promising family of negolyte materials for neutral redox flow batteries

opencc-zeroJan 2024View details →

Long-distance electron transfer along redox gradients in the subsurface

Electron transfer (ET) is the fundamental process of life and element cycling. In the subsurface, the distance of ET determines its influencing area, normally as short as nanometers or micrometers. Here we provide direct evidence from column experiments that ET can last over 10 cm along the redox gradient in sediment columns, through a long-distance ET chain constituted by a series of short-distance electron hopping reactions involving with microbes and redox-active species like iron ions (and/or minerals) and natural organic matters. Microbial processes contribute largely under biologically active conditions, while chemical processes are important under extremely acidic/alkaline and cold conditions. Microbial and chemical processes synergistically mediate the long-distance ET process, with an estimated electron flux of 6.73 μmol e-/cm2 per day. This long-distance ET represents an overlooked but important background process influencing subsurface biogeochemical processes and remediation activities.

opencc-zeroMar 2024View details →

Data from: Redox state of NAD modulates the activation of Na-bicarbonate cotransporter NBCe1-B by IRBIT and L-IRBIT

NAD is known as a coenzyme for many enzymes catalyzing redox reactions or as a substrate for enzymes for second messenger cADP-ribose generation or protein deacetylation. IRBIT and L-IRBIT are structurally conserved with dehydrogenases but lacking catalytic activity. By protein interaction, the IRBITs instead modulate many proteins of fundamental biological importance. Among these is the Na+-HCO3− cotransporter NBCe1-B, which plays a central role in intracellular pH (pHi) regulation and epithelial electrolyte transport. Here, we demonstrate that NAD modulates NBCe1-B activation by serving as a cofactor of the IRBITs. Blocking NAD salvage pathway decreases NBCe1-B activation by the IRBITs. NAD+ administration enhances, whereas NADH decreases NBCe1-B activity. Our study reveals a new role of NAD and greatly expands our appreciation of NAD biology. Because NAD redox state fluctuates greatly with metabolic status, our work provides insight into how, via IRBITs, energy metabolism could affect pHi regulation and many other IRBIT-dependent processes.

opencc-by-4.0Apr 2024View details →

Dataset for "Understanding Wavelength-dependent Synergies between Morphology and Photonic Design in TiO2-based Solar Powered Redox Cells"

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Dataset: Redox-Activated Proton Transfer through a Redundant Network in the Qo Site of Cytochrome bc1

This dataset contains initial molecular configurations and an example script used with the pDynamo3 library to obtain the results published in the paper "Redox-Activated Proton Transfer through a Redundant Network in the Qo Site of Cytochrome bc1" by Guilherme M. Arantes (USP, Brazil).

Dataset for On the Relevance of Static Cells for Fast Scale-Up of New Redox Flow Battery Chemistries

Dataset for the results shown in the publications "On the Relevance of Static Cells for Fast Scale-Up of New Redox Flow Battery Chemistries"

Electrochemical Biosensing of Tuberculosis using CRISPR-Cas12a and redox-probe modified oligonucleotide

We have submitted the manuscript in HELIYON  Manuscript. Number: HELIYON-D-24-20798R3  Title: An electrochemical biosensor for the detection of tuberculosis specific DNA with CRISPR-Cas12a and redox-probe modified oligonucleotide.  The dataset used in that study is available here.

Dataset for An Automatized Rebalancing System to Address Faradaic Imbalance and Prolong Cycle Life in Alkaline Ferrocyanide – Anthraquinone Redox Flow Batteries

Dataset for the results shown in the publications "An Automatized Rebalancing System to Address Faradaic Imbalance and Prolong Cycle Life in Alkaline Ferrocyanide – Anthraquinone Redox Flow Batteries"

opencc-by-4.0Nov 2021View details →

Dataset of the article 'Redox state kinetics in water-oxidation IrOx electrocatalysts measured by operando spectroelectrochemistry'

Data published in the article 'Redox state kinetics in water-oxidation IrOx electrocatalysts measured by operando spectroelectrochemistry',  <a href="https://doi.org/10.1021/acscatal.1c03290">https://doi.org/10.1021/acscatal.1c03290</a>. Abstract: hydrous iridium oxides (IrOx) are the best oxygen evolution electrocatalysts available for operation in acidic environments. In this study, we employ time-resolved operando spectroelectrochemistry to investigate the redox states kinetics of IrOx electrocatalyst films for both water and hydrogen peroxide oxidation. Three different redox species involving Ir3+, Ir3.x+, Ir4+ and Ir4.y+ are identified spectroscopically and their concentrations are quantified as a function of applied potential. The generation of Ir4.y+ states is found to be the potential determining step for catalytic water oxidation, whilst H2O2 oxidation is observed to be driven by the generation of Ir4+states. The reaction kinetics for water oxidation, determined from the optical signal decays at open circuit, accelerate from ~ 20 s to < 0.5 s with increasing applied potential above 1.3V vs. RHE (i.e. TOFs per active Ir state increasing from 0.05 to 2 s-1). In contrast, the reaction kinetics for H2O2 are found to be almost independent of the applied potential (increasing from 0.1-0.3 s-1 over a wider potential window), indicative of a first order reaction mechanism. These spectroelectrochemical data quantify the increase of both the density of active Ir4.y+ states and the TOFs of these states with applied positive potential, resulting in the observed sharp turn on of catalytic water oxidation current. We reconcile these data with the broader literature while providing a unique kinetic insight into IrOx electrocatalytic reaction mechanisms, indicating a first order reaction mechanism for H2O2 oxidation driven by Ir4+ states, and a higher order reaction mechanism involving the co-operative interaction of multiple Ir4.y+ states for water oxidation.

opencc-by-4.0Dec 2021View details →

Supplementary data: Na2.4Al0.4Mn2.6O7 anionic redox cathode material for sodium ion batteries- a combined experimental and theoretical approach to elucidate its charge storage mechanism

This data repository contains the output files of density-functional theory (DFT) calculations that were used for the paper "Na2.4Al0.4Mn2.6O7 anionic redox cathode material for sodium ion batteries- a combined experimental and theoretical approach to elucidate its charge storage mechanism".

opencc-by-4.0Feb 2022View details →

In-operando visualization of redox flow battery in membrane-free microfluidic platform

Images are raw data of main figure 1.(B-D) from "In-operando visualization of redox flow battery in membrane-free microfluidic platform"

opencc-by-4.0Feb 2022View details →

Dataset for the paper: "Carbon Aerogel Based Thin Electrodes for Zero-Gap all Vanadium Redox Flow Batteries – Quantifying the Factors Leading to Optimum Performance"

The data in this spreadsheet was used to produce the figures in the paper                                             Andres Parra-Puerto, Javier Rubio-Garcia, Matthew Markiewicz, Zhuo Zheng and Anthony Kucernak Carbon Aerogel Based Thin Electrodes for Zero-Gap all Vanadium Redox Flow Batteries – Quantifying the Factors Leading to Optimum Performance                                                           DOI:       https://doi.org/10.1002/celc.202101617                                Please cite the above reference if you wish to use this data                                                                           DOI of this data file is:    10.5281/zenodo.6261512