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At least 793 records · Page 44

A Thermogravimetric Temperature-Programmed Thermal Redox Protocol for Rapid Screening of Metal Oxides for Solar Thermochemical Hydrogen Production

As combinatorial and computational methods accelerate the identification of potentially suitable thermochemically-active oxides for use in solar thermochemical hydrogen production (STCH), the onus shifts to quickly evaluating predicted performance. Traditionally, this has required an experimental setup capable of directly carrying out a two-stage thermochemical water-splitting process. But this can be a difficult endeavor, as most off-the-shelf equipment cannot adequately deal simultaneously with the high temperatures, varying oxygen partial pressures, and high H 2 O partial pressures required; achieving sufficient temporal sensitivity to accurately quantify the kinetics is also a major challenge. However, as proposed here, a less complicated experiment can be used as a first screening for thermochemical water splitting potential. Temperature-Programmed Thermal Redox (TPTR) using thermogravimetry evaluates the thermal reduction behavior of materials. This technique does not require water splitting or CO 2 -splitting analogs but can nonetheless predict water-splitting performance. Three figures of merit are obtained from the TPTR experiment: reduction onset temperature, extent of reduction, and extent of recovery upon reoxidation. These metrics can collectively be used to determine if a material is capable of thermochemical water-splitting, and, to good approximation, predict whether the thermodynamics are favorable for use under more challenging high-conversion conditions. This paper discusses the pros and cons of using TPTR and proposes a protocol for use within the STCH community.

08 HYDROGEN↗

Influence of cellular redox reactions on the structure and function of light harvesting and photosystems

Photosynthesis enables the conversion of one of the most abundant and free forms of energy, sunlight, into chemical bonds through the utilization of highly tailored protein complexes. These enzymes work in unison to absorb, convert, and transform light into high-energy electrons which are used for various functions important to metabolism and cellular protection. Over the last ∼50 years, photosynthetic organisms, such as cyanobacteria, have been adapted and engineered to produce valuable compounds like hydrogen and ethylene, among others. Often this is performed by removing native and/or adding in exogenous energy utilization pathways so that light energy is re-directed towards the synthesis of desired compounds. However, the interplay between primary light capture, conversion reactions, and the downstream electron utilization sinks is not fully understood. Further complicating these strategies are the plethora of compensatory mechanisms that facilitate steady electron flow and the maintenance of photosynthesis under dynamic conditions. This manifests as structural and functional plasticity of the photosynthetic machinery, often seen in modulations of oligomeric compositions or changes in protein-protein interactions and coupling with redox enzymes. Understanding these mechanisms is crucial to biotechnology applications because re-engineering electron utilization sinks has profoundly different effects on the light capture and conversion reactions of photosynthesis. Optimization requires a molecular-level understanding of the functional interrelationships between electron sinks and photosynthetic components that influence photosynthetic efficiencies to realize potential improvements in product yields. Here, we aim to highlight how perturbation of reductive reactions is revealing the functional plasticity in key components of the photosynthetic energy transduction pathway.

59 BASIC BIOLOGICAL SCIENCES↗

Acute Exposure to Aerosolized Nanoplastics Modulates Redox-Linked Immune Responses in Human Airway Epithelium

Micro- and nanoplastics (MPs and NPs) are pervasive environmental pollutants detected in aquatic ecosystems, with emerging evidence suggesting their presence in airborne particles generated by water body motion. Inhalation exposure to airborne MPs and NPs remains understudied despite documented links between occupational exposure to these particles and adverse respiratory outcomes, including airway inflammation, oxidative stress, and chronic respiratory diseases. This study explored the effects of acute NP exposure on a fully differentiated 3D human airway epithelial model derived from 14 healthy donors. Airway epithelium was exposed to aerosolized 50 nm polystyrene NPs at concentrations ranging from 2.5 to 2500 µg/mL for three minutes per day over three days. Functional assays revealed no significant alterations in tissue integrity, cell survival, mucociliary clearance, or cilia beat frequency, suggesting intact epithelial function post-exposure. However, cytokine and chemokine profiling identified a significant five-fold increase in CCL3 (MIP-1α), a neutrophilic chemoattractant, in NP-exposed samples compared to controls. This was corroborated by increased neutrophil chemotaxis in response to conditioned media from NP-exposed tissues, indicating a pro-inflammatory neutrophilic response. Conversely, levels of interleukins (IL-21, IL-2, IL-15), CXCL10, and TGF-β were significantly reduced, suggesting immunomodulatory effects that may impair adaptive immune responses and tissue repair mechanisms. These findings demonstrate that short-term exposure to NP-containing aerosols induces a distinct pro-inflammatory response in airway epithelium, characterized by enhanced neutrophil recruitment and reduced secretion of key immune modulators. These findings underscore the potential for aerosolized NPs to induce oxidative and inflammatory stress, raising concerns about their long-term impact on respiratory health and redox regulation.

Biochemistry & Molecular Biology↗

Computational Approach for Probing Redox Potential for Iron-Sulfur Clusters in Photosystem I

Photosystem I is a light-driven electron transfer device. Available X-ray crystal structure from Thermosynechococcus elongatus showed that electron transfer pathways consist of two nearly symmetric branches of cofactors converging at the first iron–sulfur cluster F X , which is followed by two terminal iron–sulfur clusters F A and F B . Experiments have shown that F X has lower oxidation potential than F A and F B , which facilitates the electron transfer reaction. Here, we use density functional theory and Multi-Conformer Continuum Electrostatics to explain the differences in the midpoint Em potentials of the F X , F A and F B clusters. Our calculations show that F X has the lowest oxidation potential compared to F A and F B due to strong pairwise electrostatic interactions with surrounding residues. These interactions are shown to be dominated by the bridging sulfurs and cysteine ligands, which may be attributed to the shorter average bond distances between the oxidized Fe ion and ligating sulfurs for F X compared to F A and F B . Moreover, the electrostatic repulsion between the 4Fe-4S clusters and the positive potential of the backbone atoms is lowest for F X compared to both F A and F B . These results agree with the experimental measurements from the redox titrations of low-temperature EPR signals and of room temperature recombination kinetics.

59 BASIC BIOLOGICAL SCIENCES↗

Evaluating the Impact of Redox Potential on the Corrosion of Q125, 316L, and C276 Steel in Low-Temperature Geothermal Systems

Time series experiments were used to explore the fluid redox impact on the corrosion of Q125, 316L, and C276 steels in low-ionic-strength and neutral water at temperature and pressure conditions associated with low-temperature geothermal systems. After exposing polished samples of each steel grade to an oxidizing (H2O2) and a reducing (Zn-doped) fluid for intervals of 24 h, 1 week, and 6 weeks, the atomic force microscopy results revealed general corrosion for Q125, while 316L and C276 exhibited pitting, crevice expansion, and edge attack corrosion. Secondary depositional features are frequently found as topographic highs, adjacent to pitting corrosion. These features may be identified as there is a very strong spatial correlation between the height retrace and phase retrace surface maps. All steels became progressively rougher over time after exposure to both fluids, while the corrosion rates were more complex. Samples exposed to the reducing fluid experienced an increase in the corrosion rate over time, while C276 and 316L experienced a decrease in the corrosion rate. Finally, a novel data validation technique was developed to address the intrinsic scalability of corrosion. The results indicate that the AFM scan area does not affect the measured surface roughness over nearly three orders of magnitude.

Bowman, Samuel (ORCID:000000021510174X)↗

Zam Is a Redox-Regulated Member of the RNB-Family Required for Optimal Photosynthesis in Cyanobacteria

The zam gene mediating resistance to acetazolamide in cyanobacteria was discovered thirty years ago during a drug tolerance screen. We use phylogenetics to show that Zam proteins are distributed across cyanobacteria and that they form their own unique clade of the ribonuclease II/R (RNB) family. Despite being RNB family members, multiple sequence alignments reveal that Zam proteins lack conservation and exhibit extreme degeneracy in the canonical active site—raising questions about their cellular function(s). Several known phenotypes arise from the deletion of zam, including drug resistance, slower growth, and altered pigmentation. Using room-temperature and low-temperature fluorescence and absorption spectroscopy, we show that deletion of zam results in decreased phycocyanin synthesis rates, altered PSI:PSII ratios, and an increase in coupling between the phycobilisome and PSII. Conserved cysteines within Zam are identified and assayed for function using in vitro and in vivo methods. We show that these cysteines are essential for Zam function, with mutation of either residue to serine causing phenotypes identical to the deletion of Zam. Redox regulation of Zam activity based on the reversible oxidation-reduction of a disulfide bond involving these cysteine residues could provide a mechanism to integrate the ‘central dogma’ with photosynthesis in cyanobacteria.

59 BASIC BIOLOGICAL SCIENCES↗

Exploring the Origins of Anti-Ambipolarity in BBL Polymer: Links to Redox Chemistry, Electronic Structure, and Structural Dynamics

We examine the intrinsic physical-chemical properties of the conjugated ladder-type polymer poly(benzimidazobenzophenanthroline) (BBL) in response to electron transfer. We aim at explaining the origin of the anti-ambipolar behavior behind the observed BBL nonlinear response associated with specific device architectures. To elucidate this point, we use theory and computation based on first principles, including density functional theory optimizations, ab initio molecular dynamics, time-dependent DFT, and Marcus-theory analysis. Our results reveal that this redox response is not simply monotonic but follows an alternating odd/even pattern in which gap narrowing and reopening occur sequentially before near-gapless behavior emerges at high charging. Converging theoretical evidence in this work demonstrates that bell shaped conductivity in BBL originates in its fundamental electronic structure and supramolecular organization.

FOS: Physical sciences↗

Simulated hydrological dynamics and coupled iron redox cycling impact methane production in an Arctic soil: Modeling Archive

This Modeling Archive is in support of an NGEE Arctic publication "Simulated hydrological dynamics and coupled iron redox cycling impact methane production in an Arctic soil" in the Journal of Geophysical Research-Biogeosciences. We simulated biogeochemical cycling in arctic soils using the PFLOTRAN geochemical model combined with measurements from previous NGEE Arctic incubations of polygonal permafrost soils in northern Alaska (Zheng et al., 2018). Simulated iron cycling, carbon dioxide production, and methane production were compared with incubation measurements and the parameterized model was then used to simulate coupled iron and carbon cycling over repeated oxic-anoxic cycles at different levels of carbon substrate availability and pH. The most recent data version (2.0) in the archive incorporates changes to the model and simulations as suggested by reviewers during the manuscript review process. These changes include an updated parameterization of the model; a new set of simulations omitting the iron cycle for direct evaluation of how iron cycle processes affect modeled outcomes; and a set of simulations testing different scenarios of carbon substrate availability in addition to scenarios of initial soil pH. This archive contains simulation code, model output, and analysis code for PFLOTRAN simulations. All scripts are python except the batch script for submitting multiprocessor jobs. Note that the model also requires compiled versions of the Alquimia interface and the NGEE Arctic fork of the PFLOTRAN geochemical simulator (see the README_INSTALL document for basic instructions). The Output directory contains eight data files in netCDF format generated by the model. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a 10-year research effort (2012-2022) to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

All-vanadium sulfate acid redox flow battery system

All-vanadium sulfate redox flow battery systems have a catholyte and an anolyte comprising an aqueous supporting solution including chloride ions and phosphate ions. The aqueous supporting solution stabilizes and increases the solubility of vanadium species in the electrolyte, allowing an increased vanadium concentration over a desired operating temperature range. According to one example, the chloride ions are provided by MgCl2, and the phosphate ions are provided by (NH4)2HPO4.

25 ENERGY STORAGE↗

Redox-active supramolecular polymer binders derived from perylene bisimide nanowires enable high-rate lithium-sulfur batteries

To address the need for multi-functional binders specifically tailored for sulfur cathodes π-stacked perylene bisimide (PBI) molecules are repurposed as redox-active supramolecular binders in sulfur cathodes for Li—S cells. In operando lithiation of PBI binders permanently reduces Li—S cell impedance enabling high-rate cycling, a critical step toward unlocking the full potential of Li—S batteries.

25 ENERGY STORAGE↗

Two-electron redox active molecules with high capacity and energy density for energy storage applications

A non-aqueous redox flow battery includes a catholyte including a compound of formula (I): wherein E1 and E2 are independently O, S, S═O, S(═O)2, Se, NR11, or PR11; The compounds of the present technology are capable of undergoing a reversible two-electron transfer process, thus leading to high efficiency of molecular design and an increase in the overall energy density.

Huang, Jinhua↗

Redox flow battery having ligand-metal complex

A nonaqueous electrolyte composition for use in a redox flow battery system, comprising a nonaqueous supporting electrolyte and a ligand metal complex as an electrochemically active component.

Davis, Benjamin L.↗

Redox flow battery

Disclosed herein is a redox flow battery (RFB). The battery generally includes: a positive electrolyte that is a first metal ion, a negative electrolyte that is a second metal ion, an ion exchange membrane positioned between the positive electrolyte and the negative electrolyte. The membrane is configured to restrict and/or prevent the passage of the first metal ion and/or the second metal ion therethrough, and is configured to maintain ionic conductivity between the positive electrolyte and the negative electrolyte.

Sankarasubramanian, Shrihari↗

High energy density redox flow device

Redox flow devices are described including a positive electrode current collector, a negative electrode current collector, and an ion-permeable membrane separating said positive and negative current collectors, positioned and arranged to define a positive electroactive zone and a negative electroactive zone; wherein at least one of said positive and negative electroactive zone comprises a flowable semi-solid composition comprising ion storage compound particles capable of taking up or releasing said ions during operation of the cell, and wherein the ion storage compound particles have a polydisperse size distribution in which the finest particles present in at least 5 vol % of the total volume, is at least a factor of 5 smaller than the largest particles present in at least 5 vol % of the total volume.

Chiang, Yet-Ming↗

Solid oxide metal-air redox batteries (SOMARB)

The solid oxide metal-air redox batteries (SOMARB), composed of reversible solid oxide fuel cell (RSOFC) and energy storage unit (ESU), is an emerging technology for large-scale energy storage owing to its advantages in high energy density, high rate capability, decoupled energy and power components, all solid state structure, high safety and scalability. Starting with introducing the working principle of this battery, thermodynamics and kinetics, and battery chemistries based on Fe, Mo, and Wo of SOMARB are illustrated. The strategies to improve the performance of Fe-based SOMARB via optimizing RSOFC and ESU are discussed in detail. Finally, several high temperature metal-air batteries derived from SOMARB are introduced. The comparison with other batteries shows that SOMARB is expected to play an important role in future grid and renewable energy storage with concurrent advances in SOFC stack and system design.

Zhang, Cuijuan↗

Transamericium Radiation-Induced Redox Chemistry

The actinide series boasts many unique physical and chemical features worthy of study. However, the chemical influence of their inherent radiation field is often overlooked, especially as we begin to explore the late actinides (transamericium) in more detail than ever possible before. - Absorption of ionizing radiation induces the formation of a variety of transient and steady-state radicals, ions, and molecular degradation products. Many of these radiolysis products are strongly redox active and exhibit significant reactivity with a number of actinides, e.g., neptunium and americium. Here we present results from the first-ever time-resolved picosecond pulsed electron radiolysis measurements for the reaction of the late actinides (curium and californium) with reactive transients pertinent to actinide manipulations in aqueous solution, i.e., the hydrated electron (eaq–), the hydrogen atom (H•), and hydroxyl (•OH) and nitrate (•NO3) radicals.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗