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At least 937 records · Page 52

A molecular mechanism for the generation of ligand-dependent differential outputs by the epidermal growth factor receptor

The epidermal growth factor receptor (EGFR) is a receptor tyrosine kinase that couples the binding of extracellular ligands, such as EGF and transforming growth factor-α (TGF-α), to the initiation of intracellular signaling pathways. EGFR binds to EGF and TGF-α with similar affinity, but generates different signals from these ligands. To address the mechanistic basis of this phenomenon, we have carried out cryo-EM analyses of human EGFR bound to EGF and TGF-α. We show that the extracellular module adopts an ensemble of dimeric conformations when bound to either EGF or TGF-α. The two extreme states of this ensemble represent distinct ligand-bound quaternary structures in which the membrane-proximal tips of the extracellular module are either juxtaposed or separated. EGF and TGF-α differ in their ability to maintain the conformation with the membrane-proximal tips of the extracellular module separated, and this conformation is stabilized preferentially by an oncogenic EGFR mutation. Close proximity of the transmembrane helices at the junction with the extracellular module has been associated previously with increased EGFR activity. Our results show how EGFR can couple the binding of different ligands to differential modulation of this proximity, thereby suggesting a molecular mechanism for the generation of ligand-sensitive differential outputs in this receptor family.

59 BASIC BIOLOGICAL SCIENCES↗

Global analysis of $μ → e$ interactions in the SMEFT

We study current experimental bounds on charged lepton flavor violating (CLFV) μ – e interactions in the model-independent framework of the Standard Model Effective Field Theory (SMEFT). Assuming a generic flavor structure in the quark sector, we consider the contributions of CLFV operators to low-energy observables, including μ → eγ and μ → e conversion for quark-flavor conserving operators and CLFV meson decays for quark-flavor violating operators. At high energy, we consider limits on CLFV decays of the Higgs and Z bosons and of the top quark, and obtain bounds on operators with light quarks by recasting searches for production of eμ pairs in pp collisions at the Large Hadron Collider (LHC). We connect observables at low- and high-energy by taking into account renormalization group running and matching between CLFV operators. We also discuss the sensitivity of the future Electron-Ion Collider, where the prospective bounds are derived by imposing simple cuts on final state particles. We find that, in a single operator scenario, bounds on purely leptonic operators are dominated by μ → eγ and μ → e conversion. Semileptonic operators with down-type quarks are also dominantly constrained by low-energy observables, while LHC searches lead the bounds on up-type quark-flavor violating operators. Taking simplified multiple-coupling scenarios, we show that it is easy to evade the strongest low-energy bounds from spin-independent μ → e conversion, and that collider searches are competitive and complementary to constraints from spin-dependent μ → e conversion and other low-energy probes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Collapsing universe before time

Abstract In this note, we prove analytic bounds on the equation of state of a cosmological fluid composed of an arbitrary number of canonical scalars evolving in a negative multi-exponential potential. Because of the negative energy, the universe is contracting and eventually undergoes a big crunch. A contracting universe is a fundamental feature of models of ekpyrosis and cyclic universes, which are a proposed alternative to cosmic inflation to solve the flatness and horizon problems. Our analytic bounds set quantitative constraints on general effective theories of ekpyrosis. When applied to specific top-down constructions, our bounds can be used to determine whether ekpyrosis could in principle be realized. We point out some possible sources of tension in realizing the ekpyrotic universe in controlled constructions of string theory.

Astronomy & Astrophysics↗

Convective Weather Forecast Quality Metrics for Air Traffic Management Decision-Making

Since numerical weather prediction models are unable to accurately forecast the severity and the location of the storm cells several hours into the future when compared with observation data, there has been a growing interest in probabilistic description of convective weather. The classical approach for generating uncertainty bounds consists of integrating the state equations and covariance propagation equations forward in time. This step is readily recognized as the process update step of the Kalman Filter algorithm. The second well known method, known as the Monte Carlo method, consists of generating output samples by driving the forecast algorithm with input samples selected from distributions. The statistical properties of the distributions of the output samples are then used for defining the uncertainty bounds of the output variables. This method is computationally expensive for a complex model compared to the covariance propagation method. The main advantage of the Monte Carlo method is that a complex non-linear model can be easily handled. Recently, a few different methods for probabilistic forecasting have appeared in the literature. A method for computing probability of convection in a region using forecast data is described in Ref. 5. Probability at a grid location is computed as the fraction of grid points, within a box of specified dimensions around the grid location, with forecast convection precipitation exceeding a specified threshold. The main limitation of this method is that the results are dependent on the chosen dimensions of the box. The examples presented Ref. 5 show that this process is equivalent to low-pass filtering of the forecast data with a finite support spatial filter. References 6 and 7 describe the technique for computing percentage coverage within a 92 x 92 square-kilometer box and assigning the value to the center 4 x 4 square-kilometer box. This technique is same as that described in Ref. 5. Characterizing the forecast, following the process described in Refs. 5 through 7, in terms of percentage coverage or confidence level is notionally sound compared to characterizing in terms of probabilities because the probability of the forecast being correct can only be determined using actual observations. References 5 through 7 only use the forecast data and not the observations. The method for computing the probability of detection, false alarm ratio and several forecast quality metrics (Skill Scores) using both the forecast and observation data are given in Ref. 2. This paper extends the statistical verification method in Ref. 2 to determine co-occurrence probabilities. The method consists of computing the probability that a severe weather cell (grid location) is detected in the observation data in the neighborhood of the severe weather cell in the forecast data. Probabilities of occurrence at the grid location and in its neighborhood with higher severity, and with lower severity in the observation data compared to that in the forecast data are examined. The method proposed in Refs. 5 through 7 is used for computing the probability that a certain number of cells in the neighborhood of severe weather cells in the forecast data are seen as severe weather cells in the observation data. Finally, the probability of existence of gaps in the observation data in the neighborhood of severe weather cells in forecast data is computed. Gaps are defined as openings between severe weather cells through which an aircraft can safely fly to its intended destination. The rest of the paper is organized as follows. Section II summarizes the statistical verification method described in Ref. 2. The extension of this method for computing the co-occurrence probabilities in discussed in Section HI. Numerical examples using NCWF forecast data and NCWD observation data are presented in Section III to elucidate the characteristics of the co-occurrence probabilities. This section also discusses the procedure for computing throbabilities that the severity of convection in the observation data will be higher or lower in the neighborhood of grid locations compared to that indicated at the grid locations in the forecast data. The probability of coverage of neighborhood grid cells is also described via examples in this section. Section IV discusses the gap detection algorithm and presents a numerical example to illustrate the method. The locations of the detected gaps in the observation data are used along with the locations of convective weather cells in the forecast data to determine the probability of existence of gaps in the neighborhood of these cells. Finally, the paper is concluded in Section V.

Chatterji, Gano B.↗

Holographic entanglement distillation from the surface state correspondence

We study correlations between geometric subfactors living on the Ryu-Takayanagi surface that bounds the entanglement wedge. Using the surface-state correspondence and the bit threads program, we are able to calculate mutual information and conditional mutual information between subfactors. This enables us to count the shared Bell pairs between subfactors, and we propose an entanglement distillation procedure over these subsystems via a SWAP gate protocol. We comment on extending to multipartite entanglement.

99 GENERAL AND MISCELLANEOUS↗

Theoretical study of the spectroscopy of the alkali oxides LiO, NaO, and KO

A state-averaged complete-active-space self-consistent-field multireference configuration-interaction method is presented to characterize the bound-bound emission from the CPi-2 state into the two lowest ionic states of LiO, NaO, and KO. Ab initio calculations use the experimental results obtained by Woodward et al. (1989) of the emitting state as CPi-2, but indicate that the tentative experimental band assignments are incorrect.

Langhoff, Stephen R.↗

Lieb-Robinson Light Cone for Power-Law Interactions

The Lieb-Robinson theorem states that information propagates with a finite velocity in quantum systems on a lattice with nearest-neighbor interactions. What are the speed limits on information propagation in quantum systems with power-law interactions, which decay as 1 / r α at distance r ? Here, we present a definitive answer to this question for all exponents α > 2 d and all spatial dimensions d . Schematically, information takes time at least r min { 1 , α - 2 d } to propagate a distance r . As recent state transfer protocols saturate this bound, our work closes a decades-long hunt for optimal Lieb-Robinson bounds on quantum information dynamics with power-law interactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

$T\overline{T}$, black holes and negative strings

String theory on AdS 3 has a solvable single-trace irrelevant deformation that is closely related to $T\overline{T}$. For one sign of the coupling, it leads to an asymptotically linear dilaton spacetime, and a corresponding Hagedorn spectrum. For the other, the resulting spacetime has a curvature singularity at a finite radial location, and an upper bound on the energies of states. Beyond the singularity, the signature of spacetime is flipped and there is an asymptotically linear dilaton boundary at infinity. We study the properties of black holes and fundamental strings in this spacetime, and find a sensible picture. The singularity does not give rise to a hard ultraviolet wall for excitations -one must include the region beyond it to understand the theory. The size of black holes diverges as their energy approaches the upper bound, as does the location of the singularity. Fundamental strings pass smoothly through the singularity, but if their energy is above the upper bound, their trajectories are singular. From the point of view of the boundary at infinity, this background can be thought of as a vacuum of Little String Theory which contains a large number of negative strings.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Limits to Perception by Quantum Monitoring with Finite Efficiency

We formulate limits to perception under continuous quantum measurements by comparing the quantum states assigned by agents that have partial access to measurement outcomes. To this end, we provide bounds on the trace distance and the relative entropy between the assigned state and the actual state of the system. These bounds are expressed solely in terms of the purity and von Neumann entropy of the state assigned by the agent, and are shown to characterize how an agent’s perception of the system is altered by access to additional information. We apply our results to Gaussian states and to the dynamics of a system embedded in an environment illustrated on a quantum Ising chain.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

An Ab Initio Study of the Low-Lying Doublet States of AgO and AgS

Spectroscopic constants (D(sub o), r(sub e), mu(sub e), T(sub e)) are determined for the doublet states of AgO and AgS below approx. = 30000/cm. Large valence basis sets are employed in conjunction with relativistic effective core potentials (RECPs). Electron correlation is included using the modified coupled-pair functional (MCPF) and multireference configuration interaction (MRCI) methods. The A(sup 2)Sigma(sup +) - X(sup 2)Pi band system is found to occur in the near infrared (approx. = 9000/cm) and to be relatively weak with a radiative lifetime of 900 microns for A(sup 2)Sigma(sup +) (upsilon = 0). The weakly bound C(sup 2)Pi state (our notation), the upper state of the blue system, is found to require high levels of theoretical treatment to determine a quantitatively accurate potential. The red system is assigned as a transition from the C(sup 2)Pi state to the previously unobserved A(sup 2)Sigma(sup +) state. Several additional transitions are identified that should be detectable experimentally. A more limited study is performed for the vertical excitation spectrum of AgS. In addition, a detailed all-electron study of the X(sup 2)Pi and A(sup 2)Sigma(sup +) states of AgO is carried out using large atomic natural orbital (ANO) basis sets. Our best calculated D(sub o) value for AgO is significantly less than the experimental value, which suggests that there may be some systematic error in the experimental determination.

Bauschlicher, Charles W., Jr.↗

Structural basis of the activation of a metabotropic GABA receptor

Metabotropic γ-aminobutyric acid receptors (GABA B ) are involved in the modulation of synaptic responses in the central nervous system and have been implicated in neuropsychological conditions that range from addiction to psychosis. GABA B belongs to class C of the G-protein-coupled receptors, and its functional entity comprises an obligate heterodimer that is composed of the GB1 and GB2 subunits. Each subunit possesses an extracellular Venus flytrap domain, which is connected to a canonical seven-transmembrane domain. In this paper we present four cryo-electron microscopy structures of the human full-length GB1–GB2 heterodimer: one structure of its inactive apo state, two intermediate agonist-bound forms and an active form in which the heterodimer is bound to an agonist and a positive allosteric modulator. The structures reveal substantial differences, which shed light on the complex motions that underlie the unique activation mechanism of GABA B . Our results show that agonist binding leads to the closure of the Venus flytrap domain of GB1, triggering a series of transitions, first rearranging and bringing the two transmembrane domains into close contact along transmembrane helix 6 and ultimately inducing conformational rearrangements in the GB2 transmembrane domain via a lever-like mechanism to initiate downstream signalling. This active state is stabilized by a positive allosteric modulator binding at the transmembrane dimerization interface.

60 APPLIED LIFE SCIENCES↗

Efficient simulation of low-temperature physics in one-dimensional gapless systems

Here, we discuss the computational efficiency of the finite-temperature simulation with minimally entangled typical thermal states (METTS). To argue that METTS can be efficiently represented as matrix product states, we present an analytic upper bound for the average entanglement Rényi entropy of METTS for a Rényi index 0 < q ≤ 1. In particular, for one-dimensional (1D) gapless systems described by conformal field theories, the upper bound scales as O⁡(cN 0 ⁢log⁡β) where c is the central charge and N is the system size. Furthermore, we numerically find that the average Rényi entropy exhibits a universal behavior characterized by the central charge and is roughly given by half of the analytic upper bound. Based on these results, we show that METTS can provide a speedup compared to employing the purification method to analyze thermal equilibrium states at low temperatures in 1D gapless systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A method for bounding high-order finite element functions: Applications to mesh validity and bounds-preserving limiters

We introduce a novel method for bounding high-order multi-dimensional polynomials in finite element approximations. The method involves precomputing optimal piecewise-linear bounding boxes for polynomial basis functions, which can then be used to locally bound any combination of these basis functions. This approach can be applied to any element/basis type at any approximation order, can provide local (i.e., subcell) extremum bounds to a desired level of accuracy, and can be evaluated efficiently on-the-fly in simulations. Furthermore, we show that this approach generally yields more accurate bounds in comparison to traditional methods based on convex hull properties (e.g., Bernstein polynomials). Furthermore, the efficacy of this technique is shown in applications such as mesh validity checks and optimization for high-order curved meshes, where positivity of the element Jacobian determinant can be ensured throughout the entire element, and continuously bounds-preserving limiters for hyperbolic systems, which can enforce maximum principle bounds across the entire solution polynomial.

Bounding box↗

Time correlations from steady-state expectation values

Recovering properties of correlation functions is typically challenging. On one hand, experimentally, it requires measurements with a temporal resolution finer than the system's dynamics. On the other hand, analytical or numerical analysis requires solving the system evolution. Here, we use recent results of quantum metrology with continuous measurements to derive general lower bounds on the relaxation and second-order correlation times that are both easy to calculate and measure. These bounds are based solely on steady-state expectation values and their derivatives with respect to a control parameter, and can be readily extended to the autocorrelation of arbitrary observables. We validate our method on two examples of critical quantum systems: a critical driven-dissipative resonator, where the bound matches analytical results for the dynamics, and the infinite-range Ising model, where only the steady state is solvable and thus the bound provides information beyond the reach of existing analytical approaches. Our results can be applied to experimentally characterize ultrafast systems, and to theoretically analyze many-body models with dynamics that are analytically or numerically hard.

Górecki, Wojciech [INFN, Pavia]↗

Time correlations from steady-state expectation values

Recovering properties of correlation functions is typically challenging. On one hand, experimentally, it requires measurements with a temporal resolution finer than the system's dynamics. On the other hand, analytical or numerical analysis requires solving the system evolution. Here, we use recent results of quantum metrology with continuous measurements to derive general lower bounds on the relaxation and second-order correlation times that are both easy to calculate and measure. These bounds are based solely on steady-state expectation values and their derivatives with respect to a control parameter, and can be readily extended to the autocorrelation of arbitrary observables. We validate our method on two examples of critical quantum systems: a critical driven-dissipative resonator, where the bound matches analytical results for the dynamics, and the infinite-range Ising model, where only the steady state is solvable and thus the bound provides information beyond the reach of existing analytical approaches. Our results can be applied to experimentally characterize ultrafast systems, and to theoretically analyze many-body models with dynamics that are analytically or numerically hard.

Górecki, Wojciech [INFN, Pavia]↗

Time Correlations from Steady-State Expectation Values

Recovering properties of correlation functions is typically challenging. On the one hand, experimentally, it requires measurements with a temporal resolution finer than the system’s dynamics. On the other hand, analytical or numerical analysis requires solving the system evolution. Here, we use recent results of quantum metrology with continuous measurements to derive general lower bounds on the relaxation and second-order correlation times that are both easy to calculate and measure. These bounds are based solely on steady-state expectation values and their derivatives with respect to a system parameter, and can be readily extended to the autocorrelation of arbitrary observables. We validate our method on two examples of critical quantum systems: a critical driven-dissipative resonator, where the bound matches analytical results for the dynamics, and the infinite-range Ising model, where only the steady state is solvable, and thus the bound provides information beyond the reach of existing analytical approaches. Our results can be applied to the experimental characterization of ultrafast systems and to the theoretical analysis of many-body models whose dynamics are hard to compute.

Górecki, Wojciech [INFN, Pavia] (ORCID:00000001991↗

A Geometric Analysis to Protect Manned Assets from Newly Launched Objects - COLA Gap Analysis

A safety risk was identified for the International Space Station (ISS) by The Aerospace Corporation following the launch of GPS IIR-20 (March 24, 2009), when the spent upper stage of the launch vehicle unexpectedly crossed inside the ISS notification box shortly after launch. This event highlighted a 56-hour vulnerability period following the end of the launch Collision Avoidance (COLA) process where the ISS would be unable to react to a conjunction with a newly launched object. Current launch COLA processes screen each launched object across the launch window to determine if an object's nominal trajectory is predicted to pass within 200 km of the ISS (or any other manned/mannable object), resulting in a launch time closure. These launch COLA screens are performed from launch through separation plus I 00 minutes. Once the objects are in orbit, they are cataloged and evaluated as part of routine on-orbit conjunction assessment processes. However, as the GPS IIR-20 scenario illustrated, there is a vulnerability period in the time line between the end of launch COLA coverage and the beginning of standard on-orbit COLA assessment activities. The gap between existing launch and on-orbit COLA processes is driven by the time it takes to track and catalog a launched object, identify a conjunction, and plan and execute a collision avoidance maneuver. For the ISS, the total time required to accomplish an of these steps is 56 hours. To protect human lives, NASA/JSC has requested that an US launches take additional steps to protect the ISS during this "COLA gap" period. The uncertainty in the state of a spent upper stage can be quite large after all bums are complete and all remaining propellants are expelled to safe the stage. Simply extending the launch COLA process an additional 56 hours is not a viable option as the 3-sigma position uncertainty will far exceed the 200 km miss-distance criterion. Additionally, performing a probability of collision (Pc) analysis over this period is also not practical due to the limiting effects of these large orbit state uncertainties. An estimated upper bound for Pc for a typical spent upper stage if nominally aligned for a direct broadside collision with the ISS is only on the order of 10-6. For a smaller manned object such as a Soyuz capsule, the risk level decreases to an order of 10'8 . In comparison, the Air Force Range policy (AFI 91-217) for launch COLAs would only eliminate launch opportunities when conjunctions with objects exceed a Pc of 10'5 This paper demonstrates a conservative geometry-based methodology that may be used to determine if launch opportunities pose a threat to the ISS during the COLA gap period. The NASA Launch Services Program at Kennedy Space Center has developed this COLA gap analysis method and employed it fQr three NASA missions to identify potential ISS conjunctions and corresponding launch window closures during the 56-hour at-risk period. In the analysis, for each launch opportunity, the nominal trajectory of the spent upper stage and the orbit state of the ISS are propagated over the 56 hour period. Each time the upper stage crosses the orbit plane of the ISS, the relative radial and argument of latitude separations are calculated. A window cutout is identified if these separation differences fall within a mission-specific violation box, which is determined from the evaluation of a Monte Carlo dispersions analysis that quantifies the potential variation in the upper stage radial and argument of latitude differences. This paper details the results of these analyses and their impacts to each mission.

Hametz, Mark E.↗

Pass-transistor asynchronous sequential circuits

Design methods for asynchronous sequential pass-transistor circuits, which result in circuits that are hazard- and critical-race-free and which have added degrees of freedom for the input signals, are discussed. The design procedures are straightforward and easy to implement. Two single-transition-time state assignment methods are presented, and hardware bounds for each are established. A surprising result is that the hardware realizations for each next state variable and output variable is identical for a given flow table. Thus, a state machine with N states and M outputs can be constructed using a single layout replicated N + M times.

Whitaker, Sterling R.↗