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At least 523 records · Page 29

Assessing electrogenetic activation via a network model of biological signal propagation

Introduction: Molecular communication is the transfer of information encoded by molecular structure and activity. We examine molecular communication within bacterial consortia as cells with diverse biosynthetic capabilities can be assembled for enhanced function. Their coordination, both in terms of engineered genetic circuits within individual cells as well as their population-scale functions, is needed to ensure robust performance. We have suggested that “electrogenetics,” the use of electronics to activate specific genetic circuits, is a means by which electronic devices can mediate molecular communication, ultimately enabling programmable control. Methods: Here, we have developed a graphical network model for dynamically assessing electronic and molecular signal propagation schemes wherein nodes represent individual cells, and their edges represent communication channels by which signaling molecules are transferred. We utilize graph properties such as edge dynamics and graph topology to interrogate the signaling dynamics of specific engineered bacterial consortia. Results: We were able to recapitulate previous experimental systems with our model. In addition, we found that networks with more distinct subpopulations (high network modularity) propagated signals more slowly than randomized networks, while strategic arrangement of subpopulations with respect to the inducer source (an electrode) can increase signal output and outperform otherwise homogeneous networks. Discussion: We developed this model to better understand our previous experimental results, but also to enable future designs wherein subpopulation composition, genetic circuits, and spatial configurations can be varied to tune performance. We suggest that this work may provide insight into the signaling which occurs in synthetically assembled systems as well as native microbial communities.

Chun, Kayla↗

How Magnetically Conjugate Atmospheres and the Magnetosphere Participate in the Formation of Low‐Energy Electron Precipitation in the Region of Diffuse Aurora

The electron precipitation in the region of the diffuse aurora should be considered as a two‐step process (Khazanov et al., 2017, https://doi.org/10.1002/2016GL072063). The first one is the interaction of plasma sheet electrons with electrostatic electron cyclotron and/or whistler waves, moving those electrons into the loss cone to precipitate in both magnetically conjugate atmospheres. The second step is the interaction of these electrons with the ionosphere and atmosphere via their elastic and nonelastic collisions and reflection (backscatter) of degraded electrons back to magnetosphere and conjugate ionospheres. This paper presents the results of a newly developed scenario of non steady‐state electron precipitation dynamics that accounts for magnetosphere‐ionosphere‐atmosphere energy interplay over the entire energy range of the plasma sheet electron population and their affiliated secondary electrons. It also studies how both magnetically conjugate auroral regions work together with the magnetosphere in the formation of electron precipitation in the region of the diffuse aurora with the energy range coverage from 1 eV up to 10 keV.

George V Khazanov↗

Theoretical Study of Interhemispheric Electron Bouncing Within Pulsating Aurora

Wave-particle interaction processes in the equatorial magnetosphere initiate time-dependent electron precipitation in the pulsating aurora. These electrons enter loss-cone and bounce between the two magnetically conjugate hemispheres, collide with the atmospheric constituents, and introduce additional time scales in electron precipitation dynamics. In this letter we present preliminary results of pulsating aurora formation using the time-dependent SuperThermal Electron Transport code, which considers the magnetosphere-ionosphere-atmosphere energy coupling between the two magnetically conjugate regions and discuss their contribution to the peculiarities of electron distribution function formation within the pulsating aurora.

Pulsating Aurora↗

Probing potential energy landscapes via electron-beam-induced single atom dynamics

Structure, bonding, and chemical dynamics of reactions at surfaces and interfaces, and therefore most material properties are intrinsically tied to the energetic landscape in which each atom resides. Here, we demonstrate that a moving atom under electron beam excitation can be used to probe the energy landscape along (confined) step edges, providing information about atomic-scale potentials. In conclusion, the techniques for experimentally exploring atomic potentials holds promise for predictive atom-by-atom fabrication using electron beams.

36 MATERIALS SCIENCE↗

Pump and ionizing-probe dynamics in a simultaneous treatment of electronic and nuclear motion in LiH

The dissociative single ionization of the LiH molecule using a two-color UV-UV pump-probe scheme is simulated in ab initio calculations demonstrating how the dynamics initiated on intermediate Rydberg states of diatomic molecules can be imaged by such experiments. The theoretical treatment combines nuclear motion with highly correlated descriptions of electronic continua and bound electronic states. Nuclear dynamics on Rydberg states are only weakly reflected by changes in photoelectron energies ejected by time-delayed ionizing pulses if the Rydberg potential curves parallel those of the ion states being produced. However, coincidence measurements guided by knowledge of the photoionization amplitudes as a function of internuclear distance can still reveal intermediate-state dynamics in pump-probe experiments.

74 ATOMIC AND MOLECULAR PHYSICS↗

Ab Initio Molecular Dynamics Study of the Reduction of Acetone by the Hydrated Electron

We have investigated the reaction dynamics of the reduction of acetone by the solvated electron in water using ab initio molecular dynamics simulations at 298 and 373 K. The rate constants derived from the simulations are consistent with experimental observations that the reaction has a low activation energy. Detailed analyses carried out to shed light on the mechanism of the reaction show that solvent reorganization plays a key role as a reaction coordinate, as expected from the Marcus electron transfer theory. Furthermore, constrained density functional theory calculations indicate that the electronic coupling is large, placing the reaction in the adiabatic limit. Indeed, the activation energies and rate constants of the simulations are in accordance with the predictions of adiabatic Marcus theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ultrafast time-resolved x-ray absorption spectroscopy of ionized urea and its dimer through ab initio nonadiabatic dynamics

Investigating the early dynamics of chemical systems following ionization is essential for our understanding of radiation damage. However, experimental as well as theoretical investigations are very challenging due to the complex nature of these processes. Time-resolved x-ray absorption spectroscopy on a femtosecond timescale, in combination with appropriate simulations, is able to provide crucial insights into the ultrafast processes that occur upon ionization due to its element-specific probing nature. In this theoretical study, we investigate the ultrafast dynamics of valence-ionized states of urea and its dimer employing Tully's fewest switches surface hopping approach using Koopmans' theorem to describe the ionized system. We demonstrate that following valence ionization through a pump pulse, the time-resolved x-ray absorption spectra at the carbon, nitrogen, and oxygen K-edges reveal rich insights into the dynamics. Excited states of the ionized system give rise to time-delayed blueshifts in the x-ray absorption spectra as a result of electronic relaxation dynamics through nonadiabatic transitions. Moreover, our statistical analysis reveals specific structural dynamics in the molecule that induce time-dependent changes in the spectra. For the urea monomer, we elucidate the possibility to trace effects of specific molecular vibrations in the time-resolved x-ray absorption spectra. For the urea dimer, where ionization triggers a proton transfer reaction, we show how the x-ray absorption spectra can reveal specific details on the progress of proton transfer.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Currents and Associated Electron Scattering and Bouncing Near the Diffusion Region at Earth's Magnetopause

Based on high-resolution measurements from NASA's Magnetospheric Multlscale mission, we present the dynamics of electrons associated with current systems observed near the diffusion region of magnetic reconnection at Earth's magnetopause. Using pitch angle distributions (PAD) and magnetic curvature analysis, we demonstrate the occurrence of electron scattering in the curved magnetic field of the diffusion region down to energies of 20eV. We show that scattering occurs closer to the current sheet as the electron energy decreases. The scattering of Inflowing electrons, associated with field-aligned electrostatic potentials and Hall currents, produces a new population of scattered electrons with broader PAD which bounce back and forth in the exhaust. Except at the center of the diffusion region the two populations are collocated and appear to behave adiabatically: the inflowing electron PAD focuses inward (toward lower magnetic field), while the bouncing population PAD gradually peaks at 90 degrees away from the center (where it mirrors owing to higher magnetic field and probable field-aligned potentials).

Lavraud, B.↗

The JOREK non-linear extended MHD code and applications to large-scale instabilities and their control in magnetically confined fusion plasmas

JOREK is a massively parallel fully implicit non-linear extended magneto-hydrodynamic (MHD) code for realistic tokamak X-point plasmas. It has become a widely used versatile simulation code for studying large-scale plasma instabilities and their control and is continuously developed in an international community with strong involvements in the European fusion research programme and ITER organization. This article gives a comprehensive overview of the physics models implemented, numerical methods applied for solving the equations and physics studies performed with the code. A dedicated section highlights some of the verification work done for the code. A hierarchy of different physics models is available including a free boundary and resistive wall extension and hybrid kinetic-fluid models. The code allows for flux-surface aligned iso-parametric finite element grids in single and double X-point plasmas which can be extended to the true physical walls and uses a robust fully implicit time stepping. Particular focus is laid on plasma edge and scrape-off layer (SOL) physics as well as disruption related phenomena. Among the key results obtained with JOREK regarding plasma edge and SOL, are deep insights into the dynamics of edge localized modes (ELMs), ELM cycles, and ELM control by resonant magnetic perturbations, pellet injection, as well as by vertical magnetic kicks. Also ELM free regimes, detachment physics, the generation and transport of impurities during an ELM, and electrostatic turbulence in the pedestal region are investigated. Regarding disruptions, the focus is on the dynamics of the thermal quench (TQ) and current quench triggered by massive gas injection and shattered pellet injection, runaway electron (RE) dynamics as well as the RE interaction with MHD modes, and vertical displacement events. Also the seeding and suppression of tearing modes (TMs), the dynamics of naturally occurring TQs triggered by locked modes, and radiative collapses are being studied.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Application of the trap-plus-precipitation hard X-ray burst model to the flare of August 4, 1972

The theory of Melrose and Brown (1976) concerning the X-ray spectrum resulting from combined precipitation and in-trap acceleration of nonthermal electrons is applied to a large solar flare on the basis of high-time-resolution hard X-ray data. The time behavior of the electron source function is inferred as a function of energy and mean ambient trap density. The results are interpreted in the context of a purely thick-target model, a static trap with continuous injection of fresh electrons, and a dynamic trap with continuous redistribution of electron energies. It is concluded that: (1) a minimum trap density exists below which the static-trap description cannot be valid; (2) a mean ambient trap density less than the cited minimum is possible if a dynamic trap is invoked; and (3) the electron source function at a given instant in such low-density dynamic traps may bear little or no resemblance to a power-law spectrum despite its production, via nonthermal bremsstrahlung, of a power-law X-ray spectrum.

Emslie, A. G.↗

Polaron catastrophe within quantum acoustics

The quantum acoustic framework has recently emerged as a nonperturbative, coherent approach to electron–lattice interactions, uncovering rich physics often obscured by perturbative methods with incoherent scattering events. Here, we model the strongly coupled dynamics of electrons and acoustic lattice vibrations within this framework, representing lattice vibrations as coherent states and electrons as quantum wave packets, in a manner distinctively different from tight-binding or discrete hopping-based approaches. We derive and numerically implement electron backaction on the lattice, providing both visual and quantitative insights into electron wave packet evolution and the formation of acoustic polarons. We investigate polaron binding energies across varying material parameters and compute key observables—including mean square displacement, kinetic energy, potential energy, and vibrational energy—over time. Our findings reveal the conditions that favor polaron formation, which is enhanced by low temperatures, high deformation potential constants, slow sound velocities, and high effective masses. Additionally, we explore the impact of external electric and magnetic fields, showing that while polaron formation remains robust under moderate fields, it is weakly suppressed at higher field strengths. These results deepen our understanding of polaron dynamics and pave the way for future studies into nontrivial transport behavior in quantum materials.

Science & Technology - Other Topics↗

Rapid Electron Transfer Self-Exchange in Conformationally Dynamic Copper Coordination Complexes

Here we report the electron transfer (ET) self-exchange rate constants (k 11 ) for a pair of Cu II/I complexes utilizing dpa R (dpa = dipicolylaniline, R = OMe, SMe) ligands assessed by NMR line-broadening experiments. These ligands afford copper complexes that are conformationally dynamic in one oxidation state. With R = OMe, the Cu I complex is dynamic, while with R= SMe, the Cu II complex is dynamic. Both complexes exhibit unexpectedly large k 11 of 2.48(6) x 10 5 and 2.21(9) × 10 6 M –1 s –1 for [CuCl(dpa OMe )] +/0 and [CuCl(dpa SMe )] +/0 , respectively. Among the fastest reported for molecular copper coordination complexes to date, that of [CuCl(dpa SMe )] +/0 exceeds all others by an order of magnitude and compares only to those observed in type 1 blue copper proteins. The dynamicity of these complexes establish pre-steady-state con-formational equilibria that minimize the inner sphere reorganization energies to 0.71 and 0.62 eV for R = OMe and SMe, respectively. In contrast to the emphasis on rigidity in the formulation of entatic states applied to blue copper proteins, the success of these two systems highlight the relevance of conformational dynamicity in mediating rapid ET.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Anisotropic time-domain electronic response in cuprates driven by midinfrared pulses

Superconductivity in the cuprates is characterized by an anisotropic electronic gap of d -wave symmetry. The aim of this study is to understand how this anisotropy affects the nonequilibrium electronic response of high-T c superconductors. Here we use a polarization selective time domain experiment to address the dynamics of electronic excitation of different symmetry in optimally doped Bi 2 Sr 2 Y 0.08 Ca 0.92 Cu 2 O 8+δ and measure the nodal and antinodal nonequilibrium response resulting from photoexcitations with ultrashort pulses with photon energy comparable to the superconducting gap. The response to long wavelength photoexcitation with pump polarization along the Cu-Cu axis of the sample is discussed with the support of an effective d-wave BCS model which suggests that such transient response could be ascribed to an increase of pair coherence in the antinodal region.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Commissioning of the Low Energy Electron Gun Test Stand at the University of Chicago

We built a test stand for evaluating the performance of the thermionic electron sources for the electron lens project at the Integrable Optics Test Accelerator (IOTA) in Fermilab. The lens will be used to study nonlinear dynamics and electron cooling of 2.5 MeV protons with strong space charge. The test stand will validate the characteristics of the thermionic sources and the main parameters of the generated beams. In this paper we present the results of the commissioning of the UChicago test stand and validation of the hollow beam source.

43 PARTICLE ACCELERATORS↗

Ultrafast charge dynamics and photoluminescence in bilayer MoS 2

Our examination of the interplay of ultrafast charge dynamics and electron–phonon interaction in the AA' stacked bilayer MoS 2 provides a microscopic basis for understanding the features (two peaks) in the emission spectrum. We demonstrate that while the initial accumulation of excited charge occurs at and near the Q point of the two-dimensional Brillioun zone, emission takes place predominantly through two pathways: direct charge recombination at the K point and indirect phonon-assisted recombination of electrons at the K valley and holes at the Γ hill of the Brillouin zone. Analysis of the wave vector dependencies of the electron–phonon interaction traces the higher energy peak to phonon-assisted relaxation of the excited electrons from the Q to the K valley in the conduction band. Our results thus reveal the importance of ultrafast charge dynamics in understanding photoemissive properties of a few-layer transition-metal dichalcogenide. These calculations are based on time dependent density functional theory in the density matrix formulation.

Materials Science↗

Wave-particle interactions induced by SEPAC on Spacelab 1 Wave observations

Space experiments with particle accelerators (SEPAC) flew on Spacelab 1 in November and December 1983. SEPAC included an accelerator which emitted electrons into the ionospheric plasma with energies up to 5 keV and currents up to 300 mA. The SEPAC equipment also included an energetic plasma generator, a neutral gas generator, and an extensive array of diagnostics. The diagnostics included plasma wave detectors, and energetic electron analyzer, a photometer, a high sensitivity television camera, a Langmuir probe and a pressure gage. Twenty-eight experiments were performed during the mission to investigate beam-plasma interactions, electron beam dynamics, plasma beam propagation, and vehicle charging. The wave-particle interactions were monitored by the plasma wave instrumentation, by the energetic electron detector and by the optical detectors. All show evidence of wave-particle interactions, which are described in this paper.

Taylor, W. W. L.↗