1,002 results match your criteria: "Flatiron Institute[Affiliation]"

Modulation of Aβ 16-22 aggregation by glucose.

Phys Chem Chem Phys

February 2024

Biophysics Program, Institute of Physical Science and Technology, University of Maryland, College Park, MD, USA.

Article Synopsis
  • The self-assembly of amyloid-beta peptides into fibrillar structures is linked to Alzheimer's disease, with recent research indicating a connection between Alzheimer's and type-2 diabetes.
  • In this study, researchers used molecular simulations to explore how varying concentrations of glucose affect the aggregation rates of Aβ peptides, finding that higher glucose levels boost aggregation without altering the overall structure of the peptides.
  • The simulations revealed that glucose molecules preferentially join the aggregate-water interface in a way that reduces the rotation of molecules, thus speeding up the aggregation process and suggesting a new thermodynamic pathway that influences Aβ aggregation alongside chemical cross-linking.
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Interactions between light and matter allow the realization of out-of-equilibrium states in quantum solids. In particular, nonlinear phononics is one of the most efficient approaches to realizing the stationary electronic state in nonequilibrium. Herein, by an extended ab initio molecular dynamics method, we identify that long-lived light-driven quasistationary geometry could stabilize the topological nature in the material family of HgTe compounds.

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Unidirectional Subsystem Symmetry in a Hole-Doped Honeycomb-Lattice Ising Magnet.

Phys Rev Lett

January 2024

Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, California 92093, USA.

We study a model of a hole-doped collinear Ising antiferromagnet on the honeycomb lattice as a route toward realization of subsystem symmetry. We find nearly exact conservation of dipole symmetry verified both numerically with exact diagonalization on finite clusters and analytically with perturbation theory. The emergent symmetry forbids the motion of single holes-or fractons-but allows hole pairs-or dipoles-to move freely along a one-dimensional line, the antiferromagnetic direction, of the system; in the transverse direction both fractons and dipoles are completely localized.

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Pseudo-fermion functional renormalization group for spin models.

Rep Prog Phys

February 2024

Department of Physics and Quantum Centre of Excellence for Diamond and Emergent Materials (QuCenDiEM), Indian Institute of Technology Madras, Chennai 600036, India.

For decades, frustrated quantum magnets have been a seed for scientific progress and innovation in condensed matter. As much as the numerical tools for low-dimensional quantum magnetism have thrived and improved in recent years due to breakthroughs inspired by quantum information and quantum computation, higher-dimensional quantum magnetism can be considered as the final frontier, where strong quantum entanglement, multiple ordering channels, and manifold ways of paramagnetism culminate. At the same time, efforts in crystal synthesis have induced a significant increase in the number of tangible frustrated magnets which are generically three-dimensional in nature, creating an urgent need for quantitative theoretical modeling.

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Background: Modeling of gene regulatory networks (GRNs) is limited due to a lack of direct measurements of genome-wide transcription factor activity (TFA) making it difficult to separate covariance and regulatory interactions. Inference of regulatory interactions and TFA requires aggregation of complementary evidence. Estimating TFA explicitly is problematic as it disconnects GRN inference and TFA estimation and is unable to account for, for example, contextual transcription factor-transcription factor interactions, and other higher order features.

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Article Synopsis
  • Ni is the second most common element in the Earth's core, yet its influence on the inner core's structure is often overlooked due to its similarity to iron (Fe).
  • Research using molecular dynamics simulations reveals that at high temperatures and pressures, nickel (Ni) can crystallize in a body-centered cubic (bcc) structure, which is significant because it melts at much higher temperatures than Fe.
  • The findings indicate that even small amounts of Ni can enhance the crystallization rate of Fe in the core, suggesting that Ni plays a vital role in determining the inner core's structure and formation.
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Heavy-fermion metals are prototype systems for observing emergent quantum phases driven by electronic interactions. A long-standing aspiration is the dimensional reduction of these materials to exert control over their quantum phases, which remains a significant challenge because traditional intermetallic heavy-fermion compounds have three-dimensional atomic and electronic structures. Here we report comprehensive thermodynamic and spectroscopic evidence of an antiferromagnetically ordered heavy-fermion ground state in CeSiI, an intermetallic comprising two-dimensional (2D) metallic sheets held together by weak interlayer van der Waals (vdW) interactions.

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Protein dynamics underlying allosteric regulation.

Curr Opin Struct Biol

February 2024

Center for Computational Biology, Flatiron Institute, New York, NY, USA; Center for Computational Mathematics, Flatiron Institute, New York, NY, USA. Electronic address:

Allostery is the mechanism by which information and control are propagated in biomolecules. It regulates ligand binding, chemical reactions, and conformational changes. An increasing level of experimental resolution and control over allosteric mechanisms promises a deeper understanding of the molecular basis for life and powerful new therapeutics.

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Magnetism and metallicity in moiré transition metal dichalcogenides.

Proc Natl Acad Sci U S A

January 2024

Independent Research Group, Max-Planck-Institut für Festkörperforschung, Stuttgart 70569, Germany.

The ability to control the properties of twisted bilayer transition metal dichalcogenides in situ makes them an ideal platform for investigating the interplay of strong correlations and geometric frustration. Of particular interest are the low energy scales, which make it possible to experimentally access both temperature and magnetic fields that are of the order of the bandwidth or the correlation scale. In this manuscript, we analyze the moiré Hubbard model, believed to describe the low energy physics of an important subclass of the twisted bilayer compounds.

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Chemotactic bacteria not only navigate chemical gradients, but also shape their environments by consuming and secreting attractants. Investigating how these processes influence the dynamics of bacterial populations has been challenging because of a lack of experimental methods for measuring spatial profiles of chemoattractants in real time. Here, we use a fluorescent sensor for aspartate to directly measure bacterially generated chemoattractant gradients during collective migration.

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A new class of extragalactic astronomical sources discovered in 2021, named odd radio circles (ORCs), are large rings of faint, diffuse radio continuum emission spanning approximately 1 arcminute on the sky. Galaxies at the centres of several ORCs have photometric redshifts of z ≃ 0.3-0.

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We propose exchanging the energy functionals in ground-state density-functional theory with physically equivalent exact force expressions as a new promising route toward approximations to the exchange-correlation potential and energy. In analogy to the usual energy-based procedure, we split the force difference between the interacting and auxiliary Kohn-Sham system into a Hartree, an exchange, and a correlation force. The corresponding scalar potential is obtained by solving a Poisson equation, while an additional transverse part of the force yields a vector potential.

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Calculations of Quantum Light-Matter Interactions in General Electromagnetic Environments.

J Chem Theory Comput

January 2024

Center for Computational Quantum Physics, Flatiron Institute, 10010 New York, New York, United States.

The emerging field of strongly coupled light-matter systems has drawn significant attention in recent years because of the prospect of altering both the physical and chemical properties of molecules and materials. Because this emerging field draws on ideas from both condensed-matter physics and quantum optics, it has attracted the attention of theoreticians from both fields. While the former often employ accurate descriptions of the electronic structure of the matter, the description of the electromagnetic environment is often oversimplified.

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Finely tuned enzymatic pathways control cellular processes, and their dysregulation can lead to disease. Developing predictive and interpretable models for these pathways is challenging because of the complexity of the pathways and of the cellular and genomic contexts. Here we introduce Elektrum, a deep learning framework that addresses these challenges with data-driven and biophysically interpretable models for determining the kinetics of biochemical systems.

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Condensates are a hallmark of emergence in quantum materials such as superconductors and charge density waves. Excitonic insulators are an intriguing addition to this library, exhibiting spontaneous condensation of electron-hole pairs. However, condensate observables can be obscured through parasitic coupling to the lattice.

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Article Synopsis
  • * Research reveals that a deficiency in coenzyme Q (CoQ) and high levels of ceramide in skeletal muscle mitochondria lead to mitochondrial dysfunction, contributing to IR.
  • * Reducing mitochondrial ceramide and increasing CoQ levels may help prevent IR and could inform new treatments for metabolic disorders and related conditions.
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Fate of Quasiparticles at High Temperature in the Correlated Metal Sr_{2}RuO_{4}.

Phys Rev Lett

December 2023

Department of Quantum Matter Physics, University of Geneva, 24 Quai Ernest-Ansermet, 1211 Geneva 4, Switzerland.

We study the temperature evolution of quasiparticles in the correlated metal Sr_{2}RuO_{4}. Our angle resolved photoemission data show that quasiparticles persist up to temperatures above 200 K, far beyond the Fermi liquid regime. Extracting the quasiparticle self-energy, we demonstrate that the quasiparticle residue Z increases with increasing temperature.

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Repeated Cyclogenesis on Hot-Exoplanet Atmospheres with Deep Heating.

Phys Rev Lett

December 2023

Martin A. Fisher School of Physics, Brandeis University, 415 South Street, Waltham, Massachusetts 02453, USA.

Most current models of hot-exoplanet atmospheres assume shallow heating, a strong day-night differential heating near the top of the atmosphere. Here we investigate the effects of energy deposition at differing depths in a model tidally locked gas-giant exoplanet. We perform high-resolution atmospheric flow simulations of hot-exoplanet atmospheres forced with idealized thermal heating representative of shallow and deep heating (i.

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Neutron-star cores contain matter at the highest densities in our Universe. This highly compressed matter may undergo a phase transition where nuclear matter melts into deconfined quark matter, liberating its constituent quarks and gluons. Quark matter exhibits an approximate conformal symmetry, predicting a specific form for its equation of state (EoS), but it is currently unknown whether the transition takes place inside at least some physical neutron stars.

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Computational Prediction of Coiled-Coil Protein Gelation Dynamics and Structure.

Biomacromolecules

January 2024

Department of Chemical and Biomolecular Engineering, New York University Tandon School of Engineering, Brooklyn, New York 11201, United States.

Protein hydrogels represent an important and growing biomaterial for a multitude of applications, including diagnostics and drug delivery. We have previously explored the ability to engineer the thermoresponsive supramolecular assembly of coiled-coil proteins into hydrogels with varying gelation properties, where we have defined important parameters in the coiled-coil hydrogel design. Using Rosetta energy scores and Poisson-Boltzmann electrostatic energies, we iterate a computational design strategy to predict the gelation of coiled-coil proteins while simultaneously exploring five new coiled-coil protein hydrogel sequences.

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Prior to the onset of vision, neurons in the developing mammalian retina spontaneously fire in correlated activity patterns known as retinal waves. Experimental evidence suggests that retinal waves strongly influence the emergence of sensory representations before visual experience. We aim to model this early stage of functional development by using movies of neurally active developing retinas as pre-training data for neural networks.

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Anillin-related Mid1 as an adaptive and multimodal contractile ring anchoring protein: A simulation study.

Structure

February 2024

Department of Physics, Lehigh University, Bethlehem, PA 18017, USA; Center for Computational Biology, Flatiron Institute, New York, NY 10010, USA. Electronic address:

Cytokinesis of animal and fungi cells depends crucially on the anillin scaffold proteins. Fission yeast anillin-related Mid1 anchors cytokinetic ring precursor nodes to the membrane. However, it is unclear if both of its Pleckstrin Homology (PH) and C2 C-terminal domains bind to the membrane as monomers or dimers, and if one domain plays a dominant role.

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Exciton polaritons are quasiparticles of photons coupled strongly to bound electron-hole pairs, manifesting as an anti-crossing light dispersion near an exciton resonance. Highly anisotropic semiconductors with opposite-signed permittivities along different crystal axes are predicted to host exotic modes inside the anti-crossing called hyperbolic exciton polaritons (HEPs), which confine light subdiffractionally with enhanced density of states. Here, we show observational evidence of steady-state HEPs in the van der Waals magnet chromium sulfide bromide (CrSBr) using a cryogenic near-infrared near-field microscope.

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Single same cell RNAseq/ATACseq multiome data provide unparalleled potential to develop high resolution maps of the cell-type specific transcriptional regulatory circuitry underlying gene expression. We present CREMA, a framework that recovers the full cis-regulatory circuitry by modeling gene expression and chromatin activity in individual cells without peak-calling or cell type labeling constraints. We demonstrate that CREMA overcomes the limitations of existing methods that fail to identify about half of functional regulatory elements which are outside the called chromatin 'peaks'.

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