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At least 793 records · Page 44

Solvation Structure and Dynamics of Mg(TFSI) 2 Aqueous Electrolyte

Using ab initio molecular dynamics (AIMD) simulations, classical molecular dynamics (CMD) simulations, small-angle X-ray scattering (SAXS), and pulsed-field gradient nuclear magnetic resonance (PFG-NMR), the solvation structure and ion dynamics of magnesium bis(trifluoromethanesulfonyl)imide (Mg(TFSI) 2 ) aqueous electrolyte at 1, 2, and 3 m concentrations are investigated. From AIMD and CMD simulations, the first solvation shell of an Mg 2+ ion is found to be composed of six water molecules in an octahedral configuration and the solvation shell is rather rigid. The TFSI - ions prefer to stay in the second solvation shell and beyond. Meanwhile, the comparable diffusion coefficients of positive and negative ions in Mg(TFSI) 2 aqueous electrolytes have been observed, which is mainly due to the formation of the stable [Mg(H 2 O) 6 ] 2+ complex, and, as a result, the increased effective Mg ion size. Finally, the calculated correlated transference numbers are lower than the uncorrelated ones even at the low concentration of 2 and 3 m, suggesting the enhanced correlations between ions in the multivalent electrolytes. This work provides a molecular-level understanding of how the solvation structure and multivalency of the ion affect the dynamics and transport properties of the multivalent electrolyte, providing insight for rational designs of electrolytes for improved ion transport properties.

36 MATERIALS SCIENCE↗

Structure and Dynamics of Domains in Ferroelectric Nanostructures – Phase-Field Modeling (Final Technical Report)

Domain pattern formation is one of the most common phenomena in nature and is a topic of immense interest in many fields ranging from materials science and physics to chemistry and biology. This DOE sponsored research project explored the basic science concerning the thermodynamic stability of mesoscale polarization domain patterns and their temporal evolution mechanisms during formation and subsequent switching in ferroelectric nanostructures and heterostructures. The project employed the computational phase-field method in combination of microelasticity and electrostatic theories. The research was carried out in close collaboration with a number of experimental groups who used High Resolution Transmission Electron Microscopy (HRTEM), in situ TEM with Scanning Probe Microscopy (SPM), or Piezoresponse Force Microscopy (PFM) to characterize the domain structures and dynamics of ferroelectric thin films and heterostructures and who grow high-quality ferroelectric and multiferroic thin films using advanced growth techniques such as Molecular Beam Epitaxy (MBE), Pulsed Laser Deposition (PLLD), and sputtering. The research efforts of the project help establish the phase-field method as the most powerful method for understanding and predicting domain structures in ferroelectric thin films and nanostructures. The findings of the project led to the basic understanding of stability and switching mechanisms of ferroelectric domains under different mechanical boundary conditions and under either homogeneous capacitor configurations or local fields using metallic probes as electrodes and the emergence of charged domain walls during domain switching. The project predicted the spatial length scales, temperature ranges, and electromechanical conditions for different polar states in heterostructures and guided the discovery of both transient and stable novel polarization states containing vortex lattices in oxide superlattices. The project resulted in 134 journal publications and 6 PhD theses with all the PhD graduates currently working in either academia or industry within the United States. The basic understanding on the stability of mesoscale polar states and pattern evolution achieved by the project improved our ability to control and engineer properties of ferroelectric thin films and heterostructures for potential applications in nanoscale electronic devices.

36 MATERIALS SCIENCE↗

Fine structure and dynamics of the Harang discontinuity - An event study

Two rockets were launched simultaneously from the Andoya Rocket Range in northern Norway into and through a Harang discontinuity region during a small isolated substorm. Each was equipped with an array of instruments for monitoring ionospheric electric fields and auroral particles. Different sized rockets allowed both to traverse a range of 300 km while introducing altitude separations of up to 440 km, and separations between the feet of the magnetic field lines intersecting the payloads of up to 100 km. The data sets, coupled with multi-station ground-based observations, provide information on the structure and dynamics of the Harang discontinuity region. Two boundaries were encountered. The first electric field reversal was observed simultaneously by both payloads in a region of weak precipitation, while the second reversal was associated with an intense auroral band. Since an unambiguous interpretation of these data is not possible, two alternative scenarios are presented. In one the discontinuity becomes realigned during the flight following a decay in the activity. The second involves a triple cell convection system, possibly the result of an eddy in the flow.

Egeland, A.↗

Report of the panel on earth structure and dynamics, section 6

The panel identified problems related to the dynamics of the core and mantle that should be addressed by NASA programs. They include investigating the geodynamo based on observations of the Earth's magnetic field, determining the rheology of the mantle from geodetic observations of post-glacial vertical motions and changes in the gravity field, and determining the coupling between plate motions and mantle flow from geodetic observations of plate deformation. Also emphasized is the importance of support for interdisciplinary research to combine various data sets with models which couple rheology, structure and dynamics.

Dziewonski, Adam M.↗

Structure and Dynamics of Aqueous Electrolytes at Quartz (001) and (101) Surfaces

Here, understanding and describing reactivity at mineral-water interfaces such as ion adsorption, the kinetics of dissolution, or surface charge development depends on our ability to improve the accuracy of electrical double layer (EDL) models. While molecular dynamics (MD) simulations are routinely used to investigate the structure and energetics of adsorbed ions comprising the EDL, less attention is paid to their self-diffusion dynamics, which can uniquely inform on coupling to interfacial reactions. Here we use MD to investigate both the organization and diffusion dynamics of water and electrolyte ions (NaCl, KCl, CaCl 2 ) at hydroxylated quartz (001) and (101) surfaces, a comparison which allowed us to assess surface structural effects of corrugation and silanol density. We found that inner- versus outer-sphere complex formation depends on cation size and charge but not necessarily hydration energies. Participation of surface silanols in the hydration spheres of Na + and K + generally indicated their preference for inner-sphere complexation, but this depends strongly on the orientation of the surface considered through its influence over the organization and dynamics of adsorbed water layers. In particular, surface orientation substantially affects the diffusive behavior of the near-surface water. Na + was found to decrease the mobility of water in the first layer, consistent with an increasing frequency of hydrolysis implied by faster quartz dissolution rates observed in experiments via the well known salt effect. Our results are also in good agreement with the observed dissolution rate of quartz vs. surface adsorption strength measure by Dove and Nix. This study sets the stage for a forthcoming paper examining how the dynamics at quartz/electrolyte interfaces are influenced by externally applied electric fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Elucidating structure and dynamics of crystalline α-zirconium phosphates intercalated with water and methanol by multinuclear solid-state MAS NMR: A comprehensive NMR approach

Solid-state NMR experiments on 2 H, 31 P, 13 C, and 1 H nuclei, including 31 P T 1 , 1 H T 1 , and 1 H T 1ρ measurements, as well as on the kinetics of proton-phosphorus cross-polarization have been performed to characterize the crystalline and amorphous α-zirconium phosphates, which were intercalated with D 2 O and/or CD 3 OD. The 13 C{ 1 H} CP MAS NMR experiment performed for compound 1-CD 3 OD (Zr (HPO 4 ) 2 .0.2CD 3 OD) with carbon cross-polarization via protons of phosphate groups has provided a prove that the methanol was intercalated into the interlayer spaces of this compound. The variable-temperature 2 H solid-echo MAS NMR spectra of intercalated compounds demonstrated that the methanol molecules, in contrast to the mobile water, were immobile, keeping, however, free CD 3 rotations around the C 3 -axis. It has been demonstrated that the intercalated species, D 2 O and CD 3 OD, do not affect the high-frequency motions of the phosphate groups. By utilizing local structural models that satisfy the constraints of the experimental data, it has been suggested that the immobile methanol molecules are located in the cavity between two neighboring layers of the zirconium phosphates. Here, the present work illustrates the reliable criteria in a comprehensive NMR approach to structural and dynamic studies of such systems.

1H↗

Determination of Molecular Structure and Dynamics of Molten Salts by Advanced Neutron and X-ray Scattering Measurements and Computer Modeling

The design and development of fully functional Molten-Salt Reactors (MSR) require detailed knowledge of the molten salt properties in order to understand and predict the salt’s behavior. Fundamental properties of interest include molecular structure, speciation, and dynamics (such as diffusion coefficients) of salt components and dissolved corrosion and fission products. Computer modeling is necessary to predict changes in physical and chemical properties due to irradiation, burning of dissolved fuel, and corrosion. The modeling requires experimental data, and advanced neutron and x-ray scattering and spectroscopy provide the most reliable and direct determination of the structure (Pair-Distribution Functions, PDF), and dynamics of ions in the melt. This project dealt with both fluoride and chloride salts. The PDFs have been measured by a combination of neutron and x-ray diffraction. We utilized the techniques of isotope substitutions, a very powerful tool available for neutron-scattering, to extract the details of the liquid structure. Although similar measurements have been done before, modern advanced neutron and x-ray-scattering techniques allow collecting the data at much higher resolution and in a wider range of temperatures. Importantly, we were among the first to study fluoride salts by neutron scattering. The importance of impurities and their effects on salt properties have become apparent recently and so new methods of salt purification were developed. We took advantage of these developments to produce reliable data, which have been used for computer simulations of both clean salts and those with added fission and corrosion products most relevant for MSRs. Ab initio molecular dynamics simulations have been performed to understand the multi-component liquid solution, in particular solubility of impurities and thermodynamic interactions in relation to the ionic-cluster structure of the fluid. We applied machine learning to regress from the simulation and experimental data in order to develop a fast-acting model that can handle molten salt with an arbitrary (≥ 10) number of chemical elements and be able to predict chemical potential as a function of composition and temperature. This project resulted in a number of experimental and computer-simulation publications, a patent application, and numerous conference presentations (American Physical Society, American Chemical Society, and The Electrochemical Society among others). Multiple students and postdocs participated and collaborated on aspects of this project. This project seeded new collaborations between MIT and other institutions, such as the University of Massachusetts Lowell, the University of Illinois Urbana-Champaign, the University of California Berkeley, and Oak Ridge and Los Alamos National Labs. As such, this project has had a broad and lasting impact beyond its original scientific scope.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Structure and dynamics of Saturn's outer magnetosphere and boundary regions

In 1979-1981, the three USA spacecraft Pioneer 11 and Voyagers 1 and 2 discovered and explored the magnetosphere of Saturn to the limited extent possible on flyby trajectories. Considerable variation in the locations of the bow shock (BS) and magnetopause (MP) surfaces were observed in association with variable solar wind conditions and, during the Voyager 2 encounter, possible immersion in Jupiter's distant magnetic tail. The limited number of BS and MP crossings were concentrated near the subsolar region and the dawn terminator, and that fact, together with the temporal variability, makes it difficult to assess the three dimensional shape of the sunward magnetospheric boundary. The combined BS and MP crossing positions from the three spacecraft yield an average BS-to-MP stagnation point distance ratio of 1.29 +/- 0.10. This is near the 1.33 value for the Earth's magnetosphere, implying a similar sunward shape at Saturn. Study of the structure and dynamical behavior of the outer magnetosphere, both in the sunward hemisphere and the magnetotail region using combined plasma and magnetic field data, suggest that Saturn's magnetosphere is more similar to that of Earth than that of Jupiter.

Behannon, K. W.↗

Structure and dynamics of Saturn's outer magnetosphere and boundary regions

In 1979-1981, the three USA spacecraft Pioneer 11 and Voyagers 1 and 2 discovered and explored the magnetosphere of Saturn to the limited extent possible on flyby trajectories. Considerable variation in the locations of the bow shock (BS) and magnetopause (MP) surfaces were observed in association with variable solar wind conditions and, during the Voyager 2 encounter, possible immersion in Jupiter's distant magnetic tail. The limited number of BS and MP crossings were concentrated near the subsolar region and the dawn terminator, and that fact, together with the temporal variability, makes it difficult to assess the three dimensional shape of the sunward magnetospheric boundary. The combined BS and MP crossing positions from the three spacecraft yield an average BS-to-MP stagnation point distance ratio of 1.29 +/- 0.10. This is near the 1.33 value for the Earth's magnetosphere, implying a similar sunward shape at Saturn. Study of the structure and dynamical behavior of the outer magnetosphere, both in the sunward hemisphere and the magnetotail region using combined plasma and magnetic field data, suggest that Saturn's magnetosphere is more similar to that of Earth than that of Jupiter. Previously announced in STAR as N83-30346

Behannon, K. W.↗

Firefly: The Case for a Holistic Understanding of the Global Structure and Dynamics of the Sun and the Heliosphere

This white paper presents the current knowledge gaps in understanding how magnetic fields control solar (and by extension, stellar) activity in timescales from minutes to years and discusses a transformative observational approach to fill those gaps. The solar activity drives space weather as the result of dynamic magnetic fields forming in the solar interior and evolving continuously until reaching levels of complexity in the atmosphere that trigger eruptions. However, we do not fully understand how solar and, more generally, stellar magnetic fields are generated and how they evolve through the eruptive states. The major obstacle is our reliance on observations from a single viewpoint, particularly in the ecliptic plane. This vantage point can only provide limited information for (i) understanding the generation of solar magnetic fields deep in the convection zone; (ii) determining the origin of the solar cycle and predicting its timing and strength; (iii) explaining the causes of solar activity and their triggers; (iv) reliably predicting when and how CMEs will impact Earth and other planets; (v) fathoming the structure and dynamics of the corona as it creates the heliosphere; (vi) understanding the energization and transport of energetic particles; etc.

Nour E. Raouafi↗

High Thermoelectric Performance in Chalcopyrite Cu 1-x Ag x GaTe 2 –ZnTe: Nontrivial Band Structure and Dynamic Doping Effect

The understanding of thermoelectric properties of ternary I–III–VI 2 type (I = Cu, Ag; III = Ga, In; and VI = Te) chalcopyrites is less well developed. Although their thermal transport properties are relatively well studied, the relationship between the electronic band structure and charge transport properties of chalcopyrites has been rarely discussed. In this study, we reveal the unusual electronic band structure and the dynamic doping effect that could underpin the promising thermoelectric properties of Cu 1–x Ag x GaTe 2 compounds. Density functional theory (DFT) calculations and electronic transport measurements suggest that the Cu 1–x Ag x GaTe 2 compounds possess an unusual non-parabolic band structure, which is important for obtaining a high Seebeck coefficient. Moreover, a mid-gap impurity level was also observed in Cu 1–x Ag x GaTe 2 , which leads to a strong temperature-dependent carrier concentration and is able to regulate the carrier density at the optimized value for a wide temperature region and thus is beneficial to obtaining the high power factor and high average ZT of Cu 1–x Ag x GaTe 2 compounds. We also demonstrate a great improvement in the thermoelectric performance of Cu 1–x Ag x GaTe 2 by introducing Cu vacancies and ZnTe alloying. The Cu vacancies are effective in increasing the hole density and the electrical conductivity, while ZnTe alloying reduces the thermal conductivity. As a result, a maximum ZT of 1.43 at 850 K and a record-high average ZT of 0.81 for the Cu 0.68 Ag 0.3 GaTe 2 –0.5%ZnTe compound are achieved.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Biomembrane Structure and Material Properties Studied With Neutron Scattering

Cell membranes and their associated structures are dynamical supramolecular structures where different physiological processes take place. Detailed knowledge of their static and dynamic structures is therefore needed, to better understand membrane biology. The structure–function relationship is a basic tenet in biology and has been pursued using a range of different experimental approaches. In this review, we will discuss one approach, namely the use of neutron scattering techniques as applied, primarily, to model membrane systems composed of lipid bilayers. An advantage of neutron scattering, compared to other scattering techniques, is the differential sensitivity of neutrons to isotopes of hydrogen and, as a result, the relative ease of altering sample contrast by substituting protium for deuterium. This property makes neutrons an ideal probe for the study of hydrogen-rich materials, such as biomembranes. In this review article, we describe isotopic labeling studies of model and viable membranes, and discuss novel applications of neutron contrast variation in order to gain unique insights into the structure, dynamics, and molecular interactions of biological membranes. We specifically focus on how small-angle neutron scattering data is modeled using different contrast data and molecular dynamics simulations. We also briefly discuss neutron reflectometry and present a few recent advances that have taken place in neutron spin echo spectroscopy studies and the unique membrane mechanical data that can be derived from them, primarily due to new models used to fit the data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Temperature, cloud structure, and dynamics of Venus middle atmosphere by infrared remote sensing from Pioneer Orbiter

Further results from the Venus Orbiter radiometric temperature experiment (VORTEX) on the Pioneer Orbiter are presented. These are used to characterize the three-dimensional temperature field, the cloud structure, and the dynamics of the 60- to 130-kilometer altitude region of the Venus atmosphere. One of the new discoveries is a 'dipole' structure at high latitudes, with two hot spots rotating around the pole, surrounded by banks of cold cloud.

Taylor, F. W.↗

Follow on Research for Multi-Utility Technology Test Bed Aircraft at NASA Dryden Flight Research Center (FY13 Progress Report)

Modern aircraft employ a significant fraction of their weight in composite materials to reduce weight and improve performance. Aircraft aeroservoelastic models are typically characterized by significant levels of model parameter uncertainty due to the composite manufacturing process. Small modeling errors in the finite element model will eventually induce errors in the structural flexibility and mass, thus propagating into unpredictable errors in the unsteady aerodynamics and the control law design. One of the primary objectives of Multi Utility Technology Test-bed (MUTT) aircraft is the flight demonstration of active flutter suppression, and therefore in this study, the identification of the primary and secondary modes for the structural model tuning based on the flutter analysis of MUTT aircraft. The ground vibration test-validated structural dynamic finite element model of the MUTT aircraft is created in this study. The structural dynamic finite element model of MUTT aircraft is improved using the in-house Multi-disciplinary Design, Analysis, and Optimization tool. In this study, two different weight configurations of MUTT aircraft have been improved simultaneously in a single model tuning procedure.

multi-utility technology test bed aircraft↗

Crashworthiness of recycled carbon fiber composite sinusoidal structures at dynamic rates

Fiber reinforced polymer composites are finding applications in the automotive space for structurally critical applications including crash management. The use of recycled carbon fiber reinforcement can greatly reduce carbon emissions. In this study, recycled carbon fiber composites were manufactured into a self-supporting geometry using three matrices: polyphenylene sulfide (PPS), acrylonitrile butadiene styrene (ABS), and a structural epoxy, and subsequently crushed between flat platens at dynamic rates ranging from 4.6 to 9.1 ms -1 at temperatures in a range of -40°C to 80°C. Load-displacement data was used to evaluate their specific energy absorption, crush efficiency, and steady-state crush stress. Further, the energy absorption of the ABS composites was strongly sensitive to temperature, while the PPS composites exhibited strong crush efficiency dependence with both rate and temperature. The epoxy composites exhibited stable crush behavior at dynamic crush rates but exhibited a dramatic reduction in crush efficiency relative to quasi-static tests. The results of this study indicate that recycled fiber composites can achieve very high energy absorption levels (50–80kJkg -1 at room temperature) that make them an excellent alternative to more expensive and less environmentally friendly continuous virgin fiber laminates.

42 ENGINEERING↗

Tree tensor network hierarchical equations of motion based on time-dependent variational principle for efficient open quantum dynamics in structured thermal environments

In this work, we introduce an efficient method, TTN-HEOM, for exactly calculating the open quantum dynamics for driven quantum systems interacting with highly structured bosonic baths by combining the tree tensor network (TTN) decomposition scheme with the bexcitonic generalization of the numerically exact hierarchical equations of motion (HEOM). The method yields a series of quantum master equations for all core tensors in the TTN that efficiently and accurately capture the open quantum dynamics for non-Markovian environments to all orders in the system–bath interaction. These master equations are constructed based on the time-dependent Dirac–Frenkel variational principle, which isolates the optimal dynamics for the core tensors given the TTN ansatz. The dynamics converges to the HEOM when increasing the rank of the core tensors, a limit in which the TTN ansatz becomes exact. We introduce TENSO, tensor equations for non-Markovian structured open systems, as a general-purpose Python code to propagate the TTN-HEOM dynamics. We implement three general propagators for the coupled master equations: two fixed-rank methods that require a constant memory footprint during the dynamics and one adaptive-rank method with a variable memory footprint controlled by the target level of computational error. We exemplify the utility of these methods by simulating a two-level system coupled to a structured bath containing one Drude–Lorentz component and eight Brownian oscillators, which is beyond what can presently be computed using the standard HEOM. Our results show that the TTN-HEOM is capable of simulating both dephasing and relaxation dynamics of driven quantum systems interacting with structured baths, even those of chemical complexity, with an affordable computational cost.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Structure and Dynamics of the Quiet Solar Chromosphere

The grant supported research on the structure of the quiet, nonmagnetic chromosphere and on wave excitation and propagation in both the nonmagnetic chromosphere and the magnetic network. The work on the structure of the chromosphere culminated in the recognition that between two competing views of the solar chromosphere, older models by Avrett and collaborators (referred to as VAL) and the newer, dynamical model by Carlsson & Stein (referred to as CS), the clear decision is in favor of the older models, and this in spite of the evident lack of physics, which does not include wave motion and oscillations. The contrast between the static VAL models and the dynamical CS model can be stated most succinctly by comparing the temperature variation implied by the VAL models and the temperature fluctuations of the CS model, which are, respectively, of the order of 10% for the VAL model (at heights where hydrogen is 50% ionized) and a factor of 10 (at the upper boundary of their chromospheric model). The huge fluctuations of the CS model have never been observed, whereas the smaller temperature variations of the VAL models are consistent with ground-based and space-based observations. While it should be obvious which model describes the Sun and which one fails, the case is far from settled in the minds of solar physicists. Thus, much educational work remains to be done and, of course, more research to develop arguments that make the case more convincing. The research on waves and oscillations has been based on a unified theory of excitation of acoustic waves in the field-free atmosphere and of transverse and longitudinal waves in magnetic flux tubes located in the magnetic network by noting, first, that impulsive excitation of all these waves in gravitationally stratified media leads to oscillations at the respective cutoff frequencies and, second, that the observed oscillation frequencies in the nonmagnetic and magnetic parts of the chromosphere match corresponding cutoff frequencies in the upper solar photosphere. The dynamical simulations by Carlsson and Stein have been most instructive and of fundamental importance for understanding wave propagation in a stratified medium by their "flaws", the most important of which is an intensity excess at the H2v emission peak in the H line of Ca II, which is surprising since the observed intensity should have been an upper limit to the simulated intensity. The only plausible explanation for a predicted intensity that is higher than observed is that energy is spread horizontally in upward propagation in the Sun, but not in the plane-wave modeling of CS (as well as by almost everyone else). Investigations of the horizontal size of the region disturbed by the upward-propagating shock in the acoustic-wave propagation implies that the waves in H2v bright-point oscillations emanate from a point source with a diameter corresponding to the width of an intergranular lane, about 100 km, and reach a size of about 4000 km in the upper layers of the chromosphere. Linear, analytic modeling of waves emanating from a point source in a stratified atmosphere shows that the upward-expanding propagation channel does not have sharp boundaries and that the shape of the wave front depends on the order of the wave behind the initial pulse. Otherwise, the behavior of the linear waves resembles that of the nonlinear shock waves observed in the Sun. Research that needs to be done to firm up the conclusions reached above concerns the numerical simulations of nonlinear waves and oscillations in a three-dimensional stratified atmosphere with impulsive excitation, and observations linking directly the horizontal size of the disturbed area in upward propagation to individual waves.

Kalkofen, Wolfgang↗

Evolution of Thyroglobulin Loop Kinetics in EpCAM

Epithelial cell-activating molecule (EpCAM) is an important cancer biomarker and therapeutic target given its elevated expression in epithelial cancers. EpCAM is a type I transmembrane protein that forms cis-dimers along the thyroglobulin type-1A-like domain (TYD) in the extracellular region. The thyroglobulin loop (TY loop) within the TYD is structurally dynamic in the monomer state of human EpCAM, binding reversibly to a TYD site. However, it is not known if this flexibility is prevalent across different species. Here, we conduct over 17 μs of all-atom molecular dynamics simulations to study EpCAM TY loop kinetics of five different species, including human, mouse, chicken, frog, and fish. We find that the TY loop remains dynamic across evolution. In addition to the TYD binding site, we discover a second binding site for the TY loop in the C-terminal domain (CTD). Calculations of the dissociation rate constants from the simulation trajectories suggest a differential binding pattern of fish EpCAM and other organisms. Whereas fish TY loop has comparable binding for both TYD and CTD sites, the TY loops of other species preferably bind the TYD site. A hybrid construct of fish EpCAM with human TY loop restores the TYD binding preference, suggesting robust effects of the TY loop sequence on its dynamic behavior. Our findings provide insights into the structural dynamics of EpCAM and its implication in physiological functions.

59 BASIC BIOLOGICAL SCIENCES↗