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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

A cohesive zone treatment for the material point method involving problems of large deformation and damage

A new algorithm is described that permits the use of cohesive zones in the material point method for problems involving large deformation and fracture. In contrast to previous cohesive zone implementations, this method does not utilize massless surface-element particles. Instead, cohesive tractions are computed using the shape function mappings from a reference grid configuration in combination with explicitly defined particle surface normals and surface positions. These normals and relative surface positions are updated each time step according to particle deformation. The tractions are converted to cohesive forces using the nodal areas and mapped back to particles using the same reference shape function mappings. These forces are then remapped by conventional particle-to-grid interpolation as external forces using the current-configuration shape-function mappings. This allows highly compliant cohesive zones to function over jump displacements larger than a grid cell. Upon damage, these interfaces can revert to conventional multi-field contact surfaces. This approach is general and readily applies to two and three dimensions as well as being compatible with damage-field gradient partitioning offering exceptional computational flexibility. The framework for this method enables other capabilities, such as improved contact precision using explicitly defined surface normals and positions, and a method to mitigate spurious material damage at weak discontinuities between stiff brittle materials and soft or compliant materials.

Cohesive zone↗
DOE OSTI2025

Accelerating high-order continuum kinetic plasma simulations using multiple GPUs

Kinetic plasma simulations solve the Vlasov-Poisson or Vlasov-Maxwell equations to evolve scalar-variable distribution functions in position-velocity phase space and vector-variable electromagnetic fields in configuration space. The immense computational cost of evolving high-dimensional variables, and their large number of degrees of freedom, often limits the utility of continuum kinetic simulations and presents a challenge when it comes to accurately simulating real-world physical phenomena. To address this challenge, we present techniques that accelerate and minimize the computational work required for a scalable Vlasov-Poisson solver. We show theoretical hardware compute and communication bounds for solving a fourth-order finite-volume Vlasov-Poisson system. These bounds are then used to inform and evaluate the design of performance portable algorithms for a multiple graphics processing unit (GPU) accelerated version of the Vlasov-Poisson solver VCK-CPU [1]. We demonstrate that the multi-GPU Vlasov solver implementation, VCK-GPU, simultaneously minimizes required inter-process data transfer while also being bounded by the machine network performance limits. This results in an overall strong scaling speedup per timestep of up to 40x in three-dimensional phase space (one position, two velocity coordinates) and 54x in four dimensional phase space (two position, two velocity coordinates) and a 341x increase in simulation throughput of the GPU accelerated code over the existing CPU code. The GPU code is also able to weak scale up to 256 compute nodes and 1024 GPUs. In conclusion, we demonstrate that the improved compute performance enables exploring configurations which were previously computationally infeasible, including resolving fine-scale distribution function filamentation and multi-species dynamics with realistic electron-proton mass ratios.

Continuum kinetics↗
DOE OSTI2025

Sub-THz passive detector performance evaluation with RadiaBeam photoinjector

Wakefield accelerators, based on THz and mm-wave structures, promise to reach the highest energies in record small footprints. However, operation at such frequencies is associated with strong generation of dipole modes that can destroy the beams, which requires controlling the electron beam position at the micron scale. The existing conventional techniques for electron beam position monitoring are not applicable for sub-THz structures due to the space constraints. Here, on the other hand, if dipole modes amplitudes can be measured precisely at different planes, one can derive beam position relative to the central axis. For such a technique a reliable and cost-effective sensor capable of operating in high repletion rate regime is required. In this paper we review the experimental evaluation of a passive sensor candidate for such applications using RadiaBeam 4.5 MeV photoinjector.

Accelerator↗
DOE OSTI2025

Artificial intelligence time series forecasting for feed-forward laser stabilization

Laser plasma accelerators, typically operating at 1–10 Hz repetition rates, have the ability to produce high-quality electron beams in compact, all-optical-driven configurations, with the electron beams uniquely suited for a wide variety of accelerator-based applications. However, fluctuations and drifts in the laser delivery to the meter-scaled and below plasma target (the electron beam source) will translate into electron beam source variations that can limit their utility for demanding applications like light sources or linear colliders. Commercially available active feedback laser stabilization systems are intrinsically bandwidth limited due to their integration with multi-inch corrective mirror mounts which minimizes their effectiveness. In this manuscript, we present a Neural Network time series forecaster that can predict laser position fluctuations of the laser delivery to the final target well ahead of a future laser shot. The Root-Mean-Square-Error (RMSE) of the prediction accuracy was < 2 μ m for a 1 / e 2 beam radius of 34 μ m . Our feed-forward approach serves as a first-step in circumventing the bandwidth limitations imposed by the currently available stabilization systems since it allows for mirrors to be moved into position ahead of time to offset the predicted future position drift. This will help advance laser plasma accelerator research by providing greater robustness and stability needed for its applications.

Berger, Curtis↗
DOE OSTI2024

Sentiment analysis of the United States public support of nuclear power on social media using large language models

This study utilized large language models (LLMs) to analyze public sentiment in the United States (US) regarding nuclear power on social media, focusing on X/Twitter, considering climate change challenges and advancements in nuclear power technology. Approximately, 1.26 million nuclear tweets from 2008–2023 were examined to fine-tune LLMs for sentiment classification. We found the crucial role of accurate data labeling for model performance, with potential implications for a 15% improvement, achieved through high-confidence labels. LLMs demonstrated better performance compared to traditional machine learning classifiers, with reduced susceptibility to overfitting and up to 96% classification accuracy. LLMs are used to segment the US public tweets into policy and energy-related categories, revealing that 68% are politically themed. Policy tweets tended to convey negative sentiment, often reflecting opposing political perspectives and focusing on nuclear deals and international relations. Energy-related tweets covered diverse topics with predominantly neutral to positive sentiment, indicating broad support for nuclear power in 48 out of 50 US states. The US public positive sentiments toward nuclear power stemmed from its high power density, reliability regardless of weather conditions, environmental benefits, application versatility, and recent innovations and advancements in both fission and fusion technologies. Negative sentiments primarily focused on waste management, high capital costs, and safety concerns. The neutral campaign highlighted global nuclear facts and advancements, with varying tones leaning towards positivity or negativity. An interesting neutral theme was the advocacy for the combined use of renewable and nuclear energy to attain net-zero goals.

Energy & Fuels↗
DOE OSTI2026

Experimental and simulation study of target biasing effects on plasma transport in linear plasma device MPS-LD

Linear plasma devices (LPDs) are important experimental platforms for investigating plasma–material interactions (PMI). In PMI experiments, it has been found that applying a target bias not only effectively modifies the incident ion energy, but also induces significant changes in the electron density and electron temperature, whereby the evolution of these plasma parameters is primarily governed by plasma transport processes. However, at present, the physical process and mechanism underlying such bias-induced variations remain unclear. In this work, biasing experiments under argon plasma discharge conditions were first carried out on the MPS-LD device. For the corresponding experiments, an electric potential model was newly developed based on the BOUT++ LPD module, enabling self-consistent simulations of plasma transport under biased conditions. Numerical simulations were then performed to reproduce the experimental results and to validate the accuracy of the proposed model. Finally, by combining experimental measurements with numerical simulations, a bias-voltage scan was performed to investigate how the electron density and electron temperature vary with the bias voltage (U bias ). The results show that applying negative bias decreases the target electron density (n e,T ) while increasing the target electron temperature (T e,T ). In contrast, positive bias increases both n e,T and T e,T ; however, at high positive bias, n e,T first reaches a maximum and subsequently decreases with further increases in U bias . The underlying physical mechanisms are analyzed using particle flux, momentum, and energy conservation. It indicates that the applied bias regulates the parallel electric field, thereby changing ion and electron velocities, and consequently affecting the electron density. At high positive bias, the ion velocity is further influenced by ion viscosity, leading to the reversal in n e,T . Meanwhile, the enhanced parallel electric field drives stronger currents, significantly increasing ion–electron frictional work and converting the input bias power into electron energy, which raises the electron temperature. In conclusion, these results contribute to a deeper understanding of the effects and mechanisms of biasing on plasma transport in the MPS-LD device.

BOUT++ simulation↗
DOE OSTI2025

OzMALDI: A Gas-Phase, In-Source Ozonolysis Reaction for Efficient Double-Bond Assignment in Mass Spectrometry Imaging with Matrix-Assisted Laser Desorption/Ionization

Lipids make up an important class of biomolecules with diverse structures and varied chemical functions. This diversity is a major challenge in chemical analysis and limits our understanding of biological functions and regulation. A major way lipid isomers differ is by double-bond (db) position, and analyzing db-isomers is especially challenging for mass spectrometry imaging (MSI). Ozonolysis can be used to determine the dbposition and has been paired with MSI before. However, previous techniques require increased analysis time to allow for gas-phase reactions within an ion trap or ion mobility cell or additional sample preparation time to allow for offline ozonation. Here, we introduce a new ozonolysis method inside the matrix-assisted laser desorption-ionization (MALDI) source, termed OzMALDI, that simultaneously produces ozonides from all unsaturated lipids. This allows us to determine db-positions without adding additional reaction time while maintaining the high mass resolution provided by Orbitrap MS. This new technique is especially effective at determining multiple db-positions in lipids containing polyunsaturated fatty acids, which is a limitation of many previous techniques. OzMALDI-MSI was applied to the analysis of rat brain and genetically engineered Camelina and soybean seed samples, demonstrating the utility of this method and uncovering novel biological information.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Atomic-Scale Imaging of Condensed Counterions

Here, the functioning of a wide variety of charged macromolecules, from DNA to fuel cell membranes, is dependent on how the counterions surrounding them are arranged. In order to decrease Coulombic repulsion, some of the fixed charges on these molecules are neutralized by a fraction of the counterions-this phenomenon is called counterion condensation. The nature of counterion condensation can be only be inferred indirectly from traditional experiments such as X-ray scattering and modern experiments such as single molecule electrometry. The prevalent conclusion in the literature, based on both theory and experiment, is that the distribution of counterions is peaked right next to the macromolecule, i.e., condensation results in the formation of contact ion pairs. In this study, cryogenic electron microscopy (cryo-EM) was used to study the arrangement of condensed halide counterions near a positively charged polypeptoid nanofiber. The locations of both condensed and fixed charges were determined directly from atomic-scale images. Our experimentally determined counterion distributions were peaked at distances of about 5 Å away from the fixed positive charge, indicating the presence of a layer of water molecules between condensed ion pairs. We posit that this distribution is driven by the entropy of the condensed ions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Ethanol Upgrading with N,N,N -Pincer-Based Ru Catalysts: Delineating Key Factors Governing Catalyst Evolution and Stability

The 5-CH 3 -bpi (bpi = 1,3-bis(2'-pyridylimino)isoindolate) ruthenium catalyst is among the most active catalysts to generate higher order alcohols from ethanol, via the Guerbet reaction, yet the reason(s) for this beneficial CH 3 -subsitution position (5- relative to 4- and 6-) were not known. To understand the influence of this unique positional activity, we report a mechanistic investigation of the N,N,N-pincer Ru(bpi)(PPh 3 ) 2 Cl catalyst. In situ IR and ex situ NMR/ESI-MS analyses of catalytic reactions identified a series of Ru carbonyl species generated during catalysis. Here, we find that the primary decomposition pathway is via hydrogenolysis of the bpi ligands and that incorporating a methyl group at the 5-position disfavors this deactivation pathway.

(de)hydrogenation↗
DOE OSTI2026

Hierarchical Chiral Self-Assembly of Nanocylinders Composed of Sequence-Defined Mesogenic Dimers

Chiral ensembles can arise through supramolecular curvature that resolves geometric frustrations in the packing of bent, achiral molecular or colloidal building blocks. Here, we leverage orthogonal protection−deprotection click chemistry to create sequence-defined mesogenic heterodimers exhibiting emergent chirality. We compare the hierarchical self-assembly of the synthesized asymmetric, achiral heterodimers, which differ only in the position of a methyl substituent. Both dimers form chiral spherulites composed of nanocylinders. However, the detailed arrangement of nanocylinders depends on the position of the methyl substituent and the crystallization conditions. Despite the chemical similarity, in one dimer, two crystalline forms are optically active. They form conglomerates of dextrorotatory and levorotatory spherulites. The other dimer forms more highly anisotropic spherulites that mask circular birefringence arising from the misorientation of nanocylinders, while mapping of nanocylinder directors reveals a sense at the spherulite surface. We propose that differences in nanocylinder arrangements may arise from changes in nanocylinder curvature and dimensions dictated by the methyl substituent position, inducing chirality. These results demonstrate multiscale hierarchical assembly relevant to dense systems of tubular structures and highlight the role of sequence and molecular design in directing the bottom-up hierarchical self-assembly and chirality of mesogenic systems.

Alkyls↗
DOE OSTI2025

Exploring Causal Relationships and Adjustment Timescales of Aerosol-Cloud Interactions in Geostationary Satellite Observations and CAM6 Using Wavelet Phase Coherence Analysis

We present for the first time within the cloud physics context, the application of wavelet phase coherence analysis to disentangle counteracting physical processes associated with the lead-lag phase difference between cloud-proxy liquid water path (LWP) and aerosol-proxy cloud droplet number concentration ( N d ) in an Eulerian framework using satellite-based observations and climate model outputs. This approach allows us to identify the causality and dominant adjustment timescales governing the correlation between LWP and N d . Satellite observations indicate a more prevalent positive correlation between daytime LWP and N d regardless of whether LWP leads or lags N d . The positive cloud water response, associated with precipitation processes, typically occurs within 1 hr, while the negative response resulting from entrainment drying, usually takes 2–4 hr. CAM6 displays excessively rapid negative responses along with overly strong negative cloud water response and insufficient positive response, leading to a more negative correlation between LWP and N d compared to observations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

The Interaction Between Climate Forcing and Feedbacks

A Perturbed Parameter Ensemble (PPE) with the Community Atmosphere Model version 6 (CAM6) is used to better understand the sensitivity of aerosol forcing and cloud feedbacks to changes in model processes. Aerosol forcing through aerosol-cloud interactions is mostly negative (a cooling) due to shortwave radiation, while feedbacks are positive or negative in different regions due to contrasting longwave and shortwave effects. Both forcing and feedbacks are related to the mean climate state. Higher magnitude cloud radiative effects generally mean larger magnitude net negative forcing and larger magnitude net positive feedback. Aerosol forcing is broadly related to the susceptibility of clouds to drop number. Feedbacks also related to susceptibility, but to a lesser extent and in different regions to aerosol forcing. Aerosol forcing and cloud feedbacks are anti-correlated in the CAM6 PPE such that stronger negative forcing is associated with stronger positive feedbacks. Even the processes governing forcing and feedback sensitivity in the PPE are similar. These include the warm rain formation process, ice loss processes and deep convective intensity.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Recent Accelerated Decadal Shift in Winter North American Temperature Patterns Under Pacific‐Atlantic Decadal Variability

Global warming and internal climate variability have changed winter temperature extreme regimes in North America, affecting droughts and wildfires in the western United States. However, how internal climate variability influences North American winter temperature extreme patterns remains poorly understood. Here, we demonstrate that the recent winter North American surface air temperature (SAT) exhibits an accelerated decadal alternation between Warm West-Cold East (WWCE) and Cold West-Warm East (CWWE) dipoles because their variations show shorter decadal periods during 1990–2022 than during 1950–1989 and are regulated by the Pacific Decadal Oscillation (PDO) variability. While the winter WWCE dipole mainly linked to North Pacific blocking events exhibited a smaller mean amplitude during 1990–2022 than 1950–1989 due to the weakened positive PDO phase during 1990–2022 under the positive phase of the Atlantic Multidecadal Oscillation (AMO), the winter CWWE showed a larger mean amplitude during 1990–2022 due to the stronger negative PDO phase than during 1950–1989. Our results further suggest that the recent rapid decadal shift of North American winter temperatures is primarily attributed to the PDO variability likely due to anthropogenic warming under the positive AMO.

Atlantic Multidecadal Oscillation↗
DOE OSTI2025

Multidecadal Fluctuations in the Observed ENSO‐Tropical Cyclone Teleconnection

Abstract El Niño‐Southern Oscillation (ENSO) is a skillful predictor for seasonal tropical cyclone (TC) activity in most TC basins. This study examines recent changes in the observed ENSO‐TC teleconnection strength, as measured by ENSO modulation of hurricane frequency. We find that the ENSO‐North Atlantic TC teleconnection fluctuated over time, with the strongest relationship occurring from the 1980s to the mid‐2000s. In the western and eastern North Pacific, the ENSO‐TC teleconnection has strengthened in recent decades. Periods with a strong ENSO‐TC teleconnection are associated with more favorable environmental conditions for TCs, with higher values of genesis potential indices. Positive phases of the Atlantic Multidecadal Oscillation coincided with periods of strong ENSO‐TC teleconnections in the Atlantic and North Pacific basins. A weaker Atlantic ENSO‐TC relationship was associated with negative phases of the Pacific Decadal Oscillation and the North Atlantic Oscillation. This research reveals climate conditions that modulate ENSO's utility for seasonal TC prediction. Plain Language Summary El Niño‐Southern Oscillation (ENSO) is a useful predictor for seasonal tropical cyclone (TC) activity in many basins. Here we found that the strength of the ENSO‐TC teleconnection, represented as the correlation between ENSO and the number of hurricanes and accumulated cyclone energy, has changed in the historical record. The ENSO‐TC teleconnection in the North Atlantic fluctuated over time, with a weak relationship during the 1960s and 1970s and a strong relationship during the 1980s to mid‐2000s. Meanwhile, the ENSO‐TC teleconnection strengthened in the North Pacific in recent decades, with strong teleconnections after the 1980s in the western North Pacific and after the 2000s in the eastern North Pacific. Periods of strong ENSO‐TC teleconnections are associated with more favorable environmental conditions for TCs, including higher values of genesis potential indices and higher mid‐tropospheric humidity, as well as positive phases of the Atlantic Multidecadal Oscillation. Additionally, the negative phase of the Pacific Decadal Oscillation leads to strong/weak ENSO‐TC teleconnections in the eastern North Pacific and North Atlantic, respectively. Furthermore, a negative North Atlantic Oscillation is associated with a weak ENSO‐North Atlantic TC teleconnection. This research highlights variations in ENSO's effectiveness for seasonal TC prediction. Key Points The observed impact of ENSO on tropical cyclone (TC) activity exhibits multidecadal fluctuations The ENSO‐TC teleconnection was strong in the Atlantic from the 1980s to mid‐2000s and strengthened over the North Pacific in recent decades The ENSO‐TC teleconnection is stronger in the Atlantic and North Pacific basins during a positive Atlantic Multidecadal Oscillation

ENSO↗
DOE OSTI2025

Air, surface, and wastewater surveillance of SARS-CoV-2; a multimodal evaluation of COVID-19 detection in a built environment

Environmental surveillance of infectious organisms holds tremendous promise to reduce human-to-human transmission in indoor spaces through early detection. In this study we determined the applicability and limitations of wastewater, indoor high-touch surfaces, in-room air, and rooftop exhaust air sampling methods for detecting SARS-CoV-2 in a real world building occupied by residents recently diagnosed with COVID-19. We concurrently examined the results of three 24-hour environmental surveillance techniques, indoor surface sampling, exhaust air sampling and wastewater surveillance, to the known daily census fluctuations in a COVID-19 isolation dormitory. Additionally, we assessed the ability of aerosol samplers placed in the large volume lobby to detect SARS-CoV-2 multiple times per day. Our research reveals an increase in the number of individuals confirmed positive with COVID-19 as well as their estimated human viral load to be associated with statistically significant increases in viral loads detected in rooftop exhaust aerosol samples (p = 0.0413), wastewater samples (p = 0.0323,), and indoor high-touch surfaces (p < 0.001)). We also report that the viral load detected in lobby aerosol samples was statistically higher in samples collected during presence of occupants whose COVID-19 diagnostic tests were confirmed positive via qPCR compared to periods when the lobby was occupied by either contact-traced (suspected positive) individuals or during unoccupied periods (p = 0.0314 and <2e–16). We conclude that each daily (24h) surveillance method, rooftop exhaust air, indoor high-touch surfaces, and wastewater, provide useful detection signals for building owner/operator(s). Furthermore, we demonstrate that exhaust air sampling can provide spatially resolved signals based upon ventilation exhaust zones. Additionally, we find that indoor lobby air sampling can provide temporally resolved signals useful during short duration sampling periods (e.g., 2-4 hours) even with intermittent occupancy by occupants diagnosed with COVID-19.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Structure and mechanism of biosynthesis of Streptococcus mutans cell wall polysaccharide

Streptococcus mutans, the causative agent of human dental caries, expresses a cell wall attached Serotype c-specific Carbohydrate (SCC) that is critical for cell viability. SCC consists of a polyrhamnose backbone of →3)α-Rha(1 → 2)α-Rha(1→ repeats with glucose (Glc) side-chains and glycerol phosphate (GroP) decorations. This study reveals that SCC has one predominant and two more minor Glc modifications. The predominant Glc modification, α-Glc, attached to position 2 of 3-rhamnose, is installed by SccN and SccM glycosyltransferases and is the site of the GroP addition. The minor Glc modifications are β-Glc linked to position 4 of 3-rhamnose installed by SccP and SccQ glycosyltransferases, and α-Glc attached to position 4 of 2-rhamnose installed by SccN working in tandem with an unknown enzyme. Both the major and the minor β-Glc modifications control bacterial morphology, but only the GroP and major Glc modifications are critical for biofilm formation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Mobility of soil-biodegradable nanoplastics in unsaturated porous media affected by protein-corona

Soil-biodegradable plastic has been increasingly used as mulches in agriculture, which provides not only agronomical benefits but also in situ disposal and biodegradation options. However, soil-biodegradable plastic mulches inevitably fragment into micro- and nanoplastics during biodegradation, which can reside in soils or migrate into deep soils, where they may not degrade readily due to reduced microbial activity. To date, little is known about the transport of soil-biodegradable micro- and nanoplastics in soils. Here, in this study, we studied the transport of soil-biodegradable nanoplastics (∼200 nm) made of polybutylene adipate co-terephthalate (PBAT) in unsaturated sand (proxy for soil). Specifically, we studied the mobility of pristine and weathered PBAT nanoplastics in the absence and presence of proteins (positively charged lysozyme and negatively charged bovine serum albumin, pH = 7.7). We found that (1) both pristine and the weathered PBAT nanoplastics were mobile; (2) positively charged lysozyme formed protein-coronas around PBAT nanoplastics and inhibited the transport; and (3) decreased water saturation promoted the retention of PBAT nanoplastics via physical straining. These results suggest that soil-biodegradable nanoplastics fragmented from soil-biodegradable plastic mulches are mobile and may readily migrate into deep soil layers, but positively charged proteins and unsaturated flow would prevent such transport via formation of protein-corona and physical straining.

Yu, Yingxue↗
DOE OSTI2025

Why the electron chooses one of two symmetry-related paths in the type II bacterial photosynthetic reaction centers

A series of electron and proton transfer reactions are carried out in photosynthetic reaction centers that convert the energy of light into high energy reduced products and add to the proton gradient. All photosynthetic reaction centers (photosystems I, II, and different bacterial reaction centers (bRCs)) have their charge separating cofactors arranged with two, c 2 -symmetric paths from a primary donor to a terminal acceptor. In Type II reaction centers (PSII and bRCs), electrons utilize only one active branch. In bRCs the electron transfer occurs in the A branch from the excited state of the bacteriochlorophyll (BChl) dimer P 860 through BChl A , bacteriopheophytin A (BPh A ), to ubiquinone Q A , and then to the B-branch Q B . B-branch BChl B and BPh B do not participate. A similar path is found in PSII. These proteins challenge our understanding of how proteins can turn on or turn off the activity of bound ligands. The shift of the electrochemical midpoint potential (E m ) of each cofactor by the protein environment is calculated using continuum electrostatics within the Multi-Conformation Continuum Electrostatic (MCCE) program. In bRCs from Rhodobacter sphaeroides, the electrostatic potentials favor reduction of the active branch cofactors. The residues that contribute to a more positive potential on the A branch are identified. These are often distant from the cofactors. The large difference of the potential at the competing BChls may direct the electron transfer to the A branch. Residues TyrM210 and PheL181 are at symmetrical positions on the A and B branches, near P 860 , between BChl A and BChl B . Mutated bRCs, that swap the Tyr and Phe (YF mutant), have been shown to support some electron transfer to the B-branch cofactors. Here, the calculated E m s with the YF swap show more positive B-branch potentials, which help explain why there is now electron transfer along the B branch.

Bacterial Reaction Center↗