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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Optimal Pre-hydration Age for CO 2 Sequestration through Portland Cement Carbonation

An emerging technology of CO 2 sequestration in Portland cement (PC) is through accelerated carbonation, where PC is intentionally carbonated at early hydration age and reinitiates long-term hydration upon completion of carbonation. However, the current literature has overlooked a fact that different PC hydration ages prior to carbonation (pre-hydration) could lead to distinct carbonation efficiencies and subsequent hydration behaviors (post-hydration). Here, we examine the effects of length of pre-hydration period on CO 2 uptake and on the hydration extent and final strength at 28 days. The CO 2 and H 2 O profiles in the carbonated PC were examined with thermogravimetric analysis/derivative thermogravimetric analysis. The pre-hydration path was traced with isothermal calorimetry. Experimental results suggested that extension of pre-hydration decreased CO 2 uptake, but enhanced the extent of PC hydration at 28 days. It was found that a pre-hydration beyond the late deceleration period of PC hydration (where heat generation is slowing down) led to a higher hydrate content of cement paste, hence forming a higher compressive strength of mortar compared to the noncarbonated benchmarks at 28 days. The lesser carbonation-induced water loss and the nucleation seeding enabled by calcium carbonate are likely responsible for this effect. Furthermore, the finding reported here should be useful for fine tuning PC carbonation process for CO 2 sequestration in concrete.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Control of Photoswitching Kinetics with Strong Light–Matter Coupling in a Cavity

Most photochemistry occurs in the regime of weak light–matter coupling, in which a molecule absorbs a photon and then performs photochemistry from its excited state. In the strong coupling regime, enhanced light–matter interactions between an optical field and multiple molecules lead to collective hybrid light–matter states called polaritons. This strong coupling leads to fundamental changes in the nature of the excited states including multi-molecule delocalized excitations, modified potential energy surfaces, and dramatically altered energy levels relative to non-coupled molecules. Here, the effect of strong light–matter coupling on covalent photochemistry has not been well explored. Photoswitches undergo reversible intramolecular photoreactions that can be readily monitored spectroscopically. In this work, we study the effect of strong light–matter coupling on the kinetics of photoswitching within optical cavities. Reproducing prior experiments, photoswitching of spiropyran/merocyanine photoswitches is decelerated in a cavity. Fulgide photoswitches, however, show the opposite effect, with strong coupling accelerating photoswitching. While modified merocyanine switching can be explained by changes in radiative decay rates or the amount of light in the cavity, modified fulgide switching kinetics suggest direct changes to excited-state reaction kinetics.

Cavities↗
DOE OSTI2017

Regulating Multiple Variables To Understand the Nucleation and Growth and Transformation of PbS Nanocrystal Superlattices

Nanocrystals (NCs) can self-assemble into ordered superlattices with collective properties, but the ability for controlling NC assembly remains poorly understandable toward achievement of desired superlattice. This paper regulates several key variables of PbS NC assembly (e.g., NC concentration and solubility, solvent type, evaporation rate, seed mediation and thermal treatment), and thoroughly exploits the nucleation and growth as well as subsequent superlattice transformation of NC assembles and underneath mechanisms. PbS NCs in toluene self-assemble into a single face-centered-cubic (fcc) and body-centered-cubic (bcc) superlattice, respectively, at concentrations ≤17.5 and ≥70 mg/mL, but an intermediate concentration between them causes the coexistence of the two superlattices. Differently, NCs in hexane or chloroform self-assemble into only a single bcc superlattice. Distinct controls of NC assembly in solvent with variable concentrations confirm the NC concentration/solubility mediated nucleation and growth of superlattice, in which an evaporation-induced local gradient of NC concentration causes simultaneous nucleation of the two superlattices. The observation for the dense packing planes of NCs in fast growing fcc rather than bcc reveals the difference of entropic driving forces responsible for the two distinct superlattices. Decelerating the solvent evaporation does not amend the superlattice symmetry, but improves the superlattice crystallinity. In addition to shrinking the superlattice volume, thermal treatment also transforms the bcc to an fcc superlattice at 175 °C. Through a seed-meditated growth, the concentration-dependent superlattice does not change lattice symmetry over the course of continuous growth, whereas the newly nucleated secondary small nuclei through a concentration change have relatively higher surface energy and quickly dissolve in solution, providing additional NC sources for the ripening of the primarily nucleated larger and stable seeds. Finally, the observations under multiple controls of assembly parameters not only provide insights into the nucleation and growth as well as transformation of various superlattice polymorphs but also lay foundation for controlled fabrication of desired superlattice with tailored property.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Temporal Characteristics of Cloud Radiative Effects on the Greenland Ice Sheet: Discoveries From Multiyear Automatic Weather Station Measurements

The impact of clouds on Greenland's surface melt is difficult to quantify due to the limited amount of in situ observations. To better quantify cloud radiative effects (CRE), we utilize 29 automatic weather stations and provide the first analysis on seasonal and hourly timescales in both accumulation and ablation zones. Seasonal CRE shows opposing cycles across geographical regions. CRE generally increases during melt season in the north of Greenland, mainly due to longwave CRE enhancement by cloud fraction and liquid water. CRE decreases from May to July and increases afterwards in the middle and south of Greenland, mainly due to strengthened shortwave CRE caused by surface albedo reduction. This finding resolves the contrasting seasonal distributions in previous studies at different Arctic locations. Longwave seasonal cycle also shifts from increasing in the north to decreasing in the south, implying spatial variations in cloud and atmospheric conditions. On hourly timescales, longwave downwelling radiation exhibits a bimodal distribution peaking at ~-70 W/m 2 (i.e., clear state) and ~0 W/m 2 (i.e., cloudy state), suggesting that Greenland alternates between fairly clear and overcast. In the cloudy state, CRE strongly correlates with the combined influence of solar zenith angle and albedo (r = 0.85, p < 0.01) probably because clouds are thick enough for CRE to become saturated. The close relationship between CRE and albedo over dark surfaces suggests a stabilizing feedback: Net CRE is negative at low albedo caused by snow melt and snow metamorphism and thus tends to increase albedo and decelerate surface melt.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Viscoplastic Interpretation of Localized Compaction Creep in Porous Rock

Recent laboratory evidence shows that compaction creep in porous rocks may develop through stages of acceleration, especially if the material is susceptible to strain localization. This paper provides a mechanical interpretation of compaction creep based on viscoplasticity and nonlinear dynamics. For this purpose, a constitutive operator describing the evolution of compaction creep is defined to evaluate the spontaneous accumulation of pore collapse within an active compaction band. This strategy enables the determination of eigenvalues associated with the stability of the response which is able to differentiate decelerating from accelerating strain. This mathematical formalism was linked to a constitutive law able to simulate compaction localization. Material point simulations were then used to identify the region of the stress space where unstable compaction creep is expected, showing that accelerating strains correspond to pulses of inelastic strain rate. Such pulses were also found in full-field numerical analyses of delayed compaction, revealing that they correspond to stages of inception and propagation of new bands across the volume of the simulated sample. These results illustrate the intimate relation between the spatial patterns of compaction and their temporal dynamics, showing that while homogeneous compaction develops with decaying rates of accumulation, localized compaction occurs through stages of accelerating deformation caused by the loss of strength taking place during the formation of a band. In addition, they provide a predictive modeling framework to simulate and explain the spatio-temporal dynamics of compaction in porous sedimentary formations.

58 GEOSCIENCES↗
DOE OSTI2021

Observations and Simulations of Dropout Events and Flux Decays in October 2013: Comparing MEO Equatorial With LEO Polar Orbit

We compare ESA PROBA-V observations of electron flux at LEO with those from the NASA Van Allen Probes mostly at MEO for October 2013. Dropouts are visible at all energy during four storms from both satellites. Equatorially trapped electron fluxes are higher than at LEO by 10 2 (<1 MeV) to 10 5 (>2.5 MeV). We observe a quite isotropic structure of the outer belt during quiet times, contrary to the inner belt, and pitch angle dependence of high energy injection. We find a very good overlap of the outer belt at MEO and LEO at ~0.5 MeV. We use test-particle simulations of the energetic electrons trapped in the terrestrial magnetic field to study the outer radiation belt electron flux changes during geomagnetic storms. We show that the Dst (Disturbance storm time) effect during the main phase of a geomagnetic storm results in a betatron mechanism causing outward radial drift and a deceleration of the electrons. This outward drift motion is energy independent, pitch angle-dependent, and represents a significant distance (~1 L-shell at L = 5 for moderate storms). At fixed L-shell, this causes a decay of the LEO precipitating flux (adiabatic outward motion), followed by a return to the normal state (adiabatic inward motion) during main and recovery phases. Dst effect, associated with magnetopause shadowing and radial diffusion can explain the main characteristics of outer radiation belt electron dropouts in October 2013. We also use Fokker-Planck simulations with event-driven diffusion coefficients at high temporal resolution, to distinguish instantaneous loss from the gradual scattering that depopulates the slot region and the outer belt after storms. Simulations reproduce the slot formation and the gradual loss in the outer belt. The typical energy dependence of these losses leads to the absence of scattering for relativistic and ultra-relativistic electrons in the outer belt, oppositely to dropouts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Properties and Acceleration Mechanisms of Electrons Up To 200 keV Associated With a Flux Rope Pair and Reconnection X-Lines Around It in Earth's Plasma Sheet

The properties and acceleration mechanisms of electrons (<200 keV) associated with a pair of tailward traveling flux ropes and accompanied reconnection X-lines in Earth's plasma sheet are investigated with MMS measurements. Energetic electrons are enhanced on both boundaries and core of the flux ropes. The power-law spectra of energetic electrons near the X-lines and in flux ropes are harder than those on flux rope boundaries. Theoretical calculations show that the highest energy of adiabatic electrons is a few keV around the X-lines, tens of keV immediately downstream of the X-lines, hundreds of keV on the flux rope boundaries, and a few MeV in the flux rope cores. The X-lines cause strong energy dissipation, which may generate the energetic electron beams around them. The enhanced electron parallel temperature can be caused by the curvature-driven Fermi acceleration and the parallel electric potential. Betatron acceleration due to the magnetic field compression is strong on flux rope boundaries, which enhances energetic electrons in the perpendicular direction. Electrons can be trapped between the flux rope pair due to mirror force and parallel electric potential. Electrostatic structures in the flux rope cores correspond to potential drops up to half of the electron temperature. The energetic electrons and the electron distribution functions in the flux rope cores are suggested to be transported from other dawn-dusk directions, which is a 3-dimensional effect. The acceleration and deceleration of the Betatron and Fermi processes appear alternately indicating that the magnetic field and plasma are turbulent around the flux ropes.

58 GEOSCIENCES↗
DOE OSTI2022

Variability of Water Vapor in the Tropical Middle Atmosphere Observed From Satellites and Interpreted Using SD-WACCM Simulations

Water vapor in the middle atmosphere plays an essential role in global warming, ozone depletion, and the formation of polar stratospheric and mesospheric clouds. We show that tropical middle atmospheric water vapor simulated with the specified-dynamics version of the Whole Atmosphere Community Climate Model (SD-WACCM) is consistent with changes observed in a merged satellite data set, which encompasses the period 1993–2020. Consistent with previous work, we find no significant trend in the stratosphere in either the observations or the simulation; in the mesosphere, we find a long-term trend of 0.1 ppmv per decade, but only in the observations. We also analyze an SD-WACCM simulation for the longer period 1980–2019 to quantify the contribution of various factors to the decadal variation of middle atmospheric water vapor. Over 1980–1995, the simulated water vapor in the upper stratosphere and mesosphere, averaged zonally and over ±30° latitude, increases by 0.30 ppmv per decade due to increasing methane emissions. After 1995, a significant abrupt decrease of water vapor of 0.37 ppmv per decade and then a gradual increase of 0.33 ppmv per decade result from changes in stratospheric cold point temperature. The cold-point temperature is strongly influenced by the strength of the Brewer-Dobson circulation. The acceleration of the Brewer-Dobson circulation before about 2003 leads to a cooler tropical tropopause and a decrease of water vapor, and the deceleration thereafter leads to corresponding warming of the tropopause and an increase in water vapor.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Convective Momentum Transport and Its Impact on the Madden‐Julian Oscillation in E3SM‐MMF

Abstract Convective momentum transport (CMT) is the process of vertical redistribution of horizontal momentum by small‐scale turbulent flows from moist convection. Traditional general circulation models (GCMs) and their multiscale modeling framework (MMF) versions poorly represent CMT due to insufficient information of subgrid‐scale flows at each GCM grid. Here the explicit scalar momentum transport (ESMT) scheme for representing CMT is implemented in the Energy Exascale Earth System Model‐Multiscale Modeling Framework (E3SM‐MMF) with embedded 2‐D cloud‐resolving models (CRMs), and verified against E3SM‐MMF simulations with 3‐D CRMs and observations. The results show that representing CMT by ESMT helps reduce climatological mean precipitation model bias over the western Pacific and the ITCZ regions, which is attributed to the weakened mean easterlies over the Pacific. Also, CMT from simulations with 2‐D and 3‐D CRMs impose a similar impact on Kelvin waves by reducing their variability and slowing down their phase speed, but opposite impacts on the Madden‐Julian Oscillation (MJO) variability. The ESMT scheme readily captures the climatological mean spatial patterns of the zonal and meridional components of CMT and their variability across multiple time scales, but shows some differences in estimating its magnitude. CMT mainly affects the MJO by decelerating its winds in the free troposphere, but accelerates its near‐surface winds. This study serves as a prototype for implementing CMT scheme in the MMF simulations, highlighting its crucial role in reducing model bias in mean state and spatiotemporal variability.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Explicit Representation of Orographic Anisotropy for All Directions Improves Nanling Mountain Rainfall Simulation

Climate models exhibit significant rainfall bias in mountainous regions. One reason is the insufficient representation of orographic anisotropy in these models. In this study, we implement the orographic drag scheme with 3-D orographic anisotropy (all flow directions (AFD)) into a general circulation model and investigate its impact on Nanling rainfall simulation where models have systematic dry bias in the summer. It is shown that the AFD alleviated the Nanling mountain rainfall bias by over 60%. This is through an anomalous “lower-convergence-higher-divergence” deceleration pattern of the flow windward of the Nanling Mountains that enhanced vertical motion and low-level moisture convergence. The results suggest the importance of explicit orographic anisotropy representation in rainfall simulation in mountainous regions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Dynamic Rupture Simulations of Caldera Collapse Earthquakes: Effects of Wave Radiation, Magma Viscosity, and Evidence of Complex Nucleation at Kilauea 2018

All instrumented basaltic caldera collapses have generated M w > 5 very long period earthquakes. However, previous studies of source dynamics have been limited to lumped models treating the caldera block as rigid, leaving open questions related to how ruptures initiate and propagate around the ring fault, and the seismic expressions of those dynamics. Here, we present the first 3D numerical model capturing the nucleation and propagation of ring fault rupture, the mechanical coupling to the underlying viscoelastic magma, and the associated seismic wavefield. We demonstrate that seismic radiation, neglected in previous models, acts as a damping mechanism reducing coseismic slip by up to half, with effects most pronounced for large magma chamber volume/ring fault radius or highly compliant crust/compressible magma. Viscosity of basaltic magma has negligible effect on collapse dynamics. In contrast, viscosity of silicic magma significantly reduces ring fault slip. We use the model to simulate the 2018 Kilauea caldera collapse. Three stages of collapse, characterized by ring fault rupture initiation and propagation, deceleration of the downward-moving caldera block and magma column, and post-collapse resonant oscillations, in addition to chamber pressurization, are identified in simulated and observed (unfiltered) near-field seismograms. A detailed comparison of simulated and observed displacement waveforms corresponding to collapse earthquakes with hypocenters at various azimuths of the ring fault reveals a complex nucleation phase for earthquakes initiated on the northwest. Our numerical simulation framework will enhance future efforts to reconcile seismic and geodetic observations of caldera collapse with conceptual models of ring fault and magma chamber dynamics.

58 GEOSCIENCES↗
DOE OSTI2023

Insights Into Lightning K‐Leader Initiation and Development From Three Dimensional Broadband Interferometric Observations

Abstract We report detailed observations of K‐leaders and the activity between them with the three‐dimensional Broadband Interferometric Mapping and Polarization system (BIMAP‐3D) at Los Alamos National Laboratory. It is found that K‐leaders have a general propagation trend of initial acceleration and then gradual deceleration, and the corresponding very high frequency (VHF) radiation power is exponentially correlated with the leader speed. Based on the 3D development and simultaneous electric field change measurement, some simple K‐leaders can be modeled with time‐evolving point charges at the propagating leader tip and at the stationary origin. We found that the charge magnitude increases during the initial acceleration stage and stays relatively constant for the rest of the development. K‐leaders are observed to interact with other branches; the branches affect the leader's propagation speed, and may affect the charge transfer. After the occurrence of a K‐leader, VHF emissions are quenched for several milliseconds. VHF sources then reappear in an impulsive and scattered manner as “twinkling,” and these sources are found not uniquely on the so‐called needles, but also on the main channel. These twinkling sources start near the apparent positive leader tip, and extend back toward the direction of the flash origin at about 10 5 m/s, while the apparent positive tip continues to extend forward at about 10 4 m/s. The twinkling extending toward the direction of flash origin appears to initiate the following K‐leader, although it may be interrupted by a K‐leader along a different branch, or simply die out without more K‐leader activity.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Permafrost Formation in a Meandering River Floodplain

Abstract Permafrost influences 25% of land in the Northern Hemisphere, where it stabilizes the ground beneath communities and infrastructure and sequesters carbon. However, the coevolution of permafrost, river dynamics, and vegetation in Arctic environments remains poorly understood. As rivers meander, they erode the floodplain at cutbanks and build new land through bar deposition, creating sequences of landforms with distinct formation ages. Here we mapped these sequences along the Koyukuk River floodplain, Alaska, analyzing permafrost occurrence, and landform and vegetation types. We used radiocarbon and optically stimulated luminescence (OSL) dating to develop a floodplain age map. Deposit ages ranged from modern to 10 ka, with more younger deposits near the modern channel. Permafrost rapidly reached 50% areal extent in all deposits older than 200 years then gradually increased up to ∼85% extent for deposits greater than 4 Kyr old. Permafrost extent correlated with increases in black spruce and wetland abundance, as well as increases in permafrost extent within wetland, and shrub and scrub vegetation classes. We developed an inverse model to constrain permafrost formation rate as a function of air temperature. Permafrost extent initially increased by ∼25% per century, in pace with vegetation succession, before decelerating to <10% per millennia as insulating overbank mud and moss slowly accumulated. Modern permafrost extent on the Koyukuk floodplain therefore reflects a dynamic balance between widespread, time‐varying permafrost formation and rapid, localized degradation due to cutbank erosion that might trigger a rapid loss of permafrost with climatic warming.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Urban Land Surface Effects on Summertime Clouds and Moist Convection in Houston Under Different Synoptic Conditions

Urban landscapes modify cloud formation and convection through complex thermodynamic and aerodynamic processes; however, their influence under different synoptic regimes remains poorly understood. This study investigates the impact of the Houston metropolitan area on summertime cloud cover and convective cell characteristics using a combination of satellite observations, radar data, and high-resolution process-based modeling. We isolate urban effects by comparing model simulations with realistic urban land cover against hypothetical scenarios where all urban areas are replaced by rural vegetation. Results reveal that Houston's land cover consistently enhances cloud fraction and convective activity relative to surrounding rural areas, altered by large-scale meteorological forcing. Under weakly forced conditions, enhanced surface heat flux primarily contributes to driving low-level convergence and vertical ascent, leading to over 8% cloud fraction increase between 2 and 6 km over the city. Under strongly forced conditions, urban influences manifest differently depending on cloud type. For non-convective clouds, the city acts as a barrier that decelerates and lifts moist southerly inflow, increasing low cloud cover over the urban core, while decreasing it downwind the city. For convective clouds, both synoptic ascent and urbanization modulate moisture redistribution and cloud structure, producing modest cloud enhancement over the city and slight suppression over the downwind area. Urbanization exerts small changes in the intensity of the convective cells; however, it significantly decreases their duration and traveling distance. This work highlights the importance of accounting for land surface heterogeneity in modeling clouds and precipitation and demonstrates that urban impacts on clouds are highly regime-dependent.

Liu, Ye [Pacific Northwest National Laboratory (PN↗
DOE OSTI2026

A Panspermia Origin for Venus Cloud Life

Decades of study have hinted at the astrobiological potential of Venus's cloud layers. This potential is often cast as stemming from the idea that the Venusian surface was clement in the past. As the climate changed, life then remained in, or perhaps evolved and migrated to, the last habitable niche: the altitudes above ∼50 km with Earth-like temperatures and pressures today. Here we explore an alternative scenario where life was delivered to Venus' clouds from Earth or Mars (“panspermia”). This process requires a life-containing bolide to enter the atmosphere, without experiencing complete sterilization, and then be dispersed at high altitude in fragments small enough to dwell in the clouds. We adapt a widely used model of bolide-atmosphere interaction to investigate the fate of bolides delivered to Venus from Earth and Mars. Starting at the top of the atmosphere, bolides ablate and fragment. Aerodynamic drag spreads these fragments horizontally, forming a “pancake” with an increased effective cross-section, causing rapid deceleration. An airburst occurs when the bolide deposits its highest amount of kinetic energy in the atmosphere. Observations of terrestrial meteorites provide a scaling law for the distribution of post-airburst fragment sizes. Inspired by the “Venus Life Equation,” we present a framework for calculating the rate at which panspermia delivers microbial life to the clouds of Venus. Our best estimate is an average of ∼100 cells dispersed in the clouds per Earth-year. Whether this life can survive and thrive in its new home remains an open question.

Guinan, Emma [Arizona State Univ., Tempe, AZ (Unit↗
DOE OSTI2018

Non-equilibrium anisotropic colloidal single crystal growth with DNA

Abstract Anisotropic colloidal crystals are materials with novel optical and electronic properties. However, experimental observations of colloidal single crystals have been limited to relatively isotropic habits. Here, we show DNA-mediated crystallization of two types of nanoparticles with different hydrodynamic radii that form highly anisotropic, hexagonal prism microcrystals with AB 2 crystallographic symmetry. The DNA directs the nanoparticles to assemble into a non-equilibrium crystal shape that is enclosed by the highest surface energy facets (AB 2 (10 $$\overline 1$$ 1 ¯ 0) and AB 2 (0001)). Simulations and theoretical arguments show that this observation is a consequence of large energy barriers between different terminations of the AB 2 (10 $$\overline 1$$ 1 ¯ 0) facet, which results in a significant deceleration of the (10 $$\overline 1$$ 1 ¯ 0) facet growth rate. In addition to reporting a hexagonal colloidal crystal habit, this work introduces a potentially general plane multiplicity mechanism for growing non-equilibrium crystal shapes, an advance that will be useful for designing colloidal crystal habits with important applications in both optics and photocatalysis.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Shining light on the microscopic resonant mechanism responsible for cavity-mediated chemical reactivity

Strong light–matter interaction in cavity environments is emerging as a promising approach to control chemical reactions in a non-intrusive and efficient manner. The underlying mechanism that distinguishes between steering, accelerating, or decelerating a chemical reaction has, however, remained unclear, hampering progress in this frontier area of research. We leverage quantum-electrodynamical density-functional theory to unveil the microscopic mechanism behind the experimentally observed reduced reaction rate under cavity induced resonant vibrational strong light-matter coupling. We observe multiple resonances and obtain the thus far theoretically elusive but experimentally critical resonant feature for a single strongly coupled molecule undergoing the reaction. While we describe only a single mode and do not explicitly account for collective coupling or intermolecular interactions, the qualitative agreement with experimental measurements suggests that our conclusions can be largely abstracted towards the experimental realization. Specifically, we find that the cavity mode acts as mediator between different vibrational modes. In effect, vibrational energy localized in single bonds that are critical for the reaction is redistributed differently which ultimately inhibits the reaction.

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

Allosteric control of dynamin-related protein 1 through a disordered C-terminal Short Linear Motif

Abstract The mechanochemical GTPase dynamin-related protein 1 (Drp1) catalyzes mitochondrial and peroxisomal fission, but the regulatory mechanisms remain ambiguous. Here we find that a conserved, intrinsically disordered, six-residue Short Linear Motif at the extreme Drp1 C-terminus, named CT-SLiM, constitutes a critical allosteric site that controls Drp1 structure and function in vitro and in vivo. Extension of the CT-SLiM by non-native residues, or its interaction with the protein partner GIPC-1, constrains Drp1 subunit conformational dynamics, alters self-assembly properties, and limits cooperative GTP hydrolysis, surprisingly leading to the fission of model membranes in vitro. In vivo, the involvement of the native CT-SLiM is critical for productive mitochondrial and peroxisomal fission, as both deletion and non-native extension of the CT-SLiM severely impair their progression. Thus, contrary to prevailing models, Drp1-catalyzed membrane fission relies on allosteric communication mediated by the CT-SLiM, deceleration of GTPase activity, and coupled changes in subunit architecture and assembly-disassembly dynamics.

Science & Technology - Other Topics↗