*Phys Rev Lett ; 130(1): 010402, 2023 Jan 06.*

##### RESUMO

Any physical system evolves at a finite speed that is constrained not only by the energetic cost but also by the topological structure of the underlying dynamics. In this Letter, by considering such structural information, we derive a unified topological speed limit for the evolution of physical states using an optimal transport approach. We prove that the minimum time required for changing states is lower bounded by the discrete Wasserstein distance, which encodes the topological information of the system, and the time-averaged velocity. The bound obtained is tight and applicable to a wide range of dynamics, from deterministic to stochastic, and classical to quantum systems. In addition, the bound provides insight into the design principles of the optimal process that attains the maximum speed. We demonstrate the application of our results to chemical reaction networks and interacting many-body quantum systems.

*Phys Rev Lett ; 128(14): 140602, 2022 Apr 08.*

##### RESUMO

The thermodynamic and kinetic uncertainty relations indicate trade-offs between the relative fluctuation of observables and thermodynamic quantities such as dissipation and dynamical activity. Although these relations have been well studied for classical systems, they remain largely unexplored in the quantum regime. In this Letter, we investigate such trade-off relations for Markovian open quantum systems whose underlying dynamics are quantum jumps, such as thermal processes and quantum measurement processes. Specifically, we derive finite-time lower bounds on the relative fluctuation of both dynamical observables and their first passage times for arbitrary initial states. The bounds imply that the precision of observables is constrained not only by thermodynamic quantities but also by quantum coherence. We find that the product of the relative fluctuation and entropy production or dynamical activity is enhanced by quantum coherence in a generic class of dissipative processes of systems with nondegenerate energy levels. Our findings provide insights into the survival of the classical uncertainty relations in quantum cases.

*Phys Rev Lett ; 128(1): 010603, 2022 Jan 07.*

##### RESUMO

We consider quantum many-body dynamics under quantum measurements, where the measurement-induced phase transitions (MIPs) occur when changing the frequency of the measurement. In this work, we consider the robustness of the MIP for long-range interaction that decays as r^{-α} with distance r. The effects of long-range interactions are classified into two regimes: (i) the MIP is observed (α>α_{c}), and (ii) the MIP is absent even for arbitrarily strong measurements (α<α_{c}). Using fermion models, we demonstrate both regimes in integrable and nonintegrable cases. We identify the underlying mechanism and propose sufficient conditions to observe the MIP, that is, α>d/2+1 for general bilinear systems and α>d+1 for general nonintegrable systems (d: spatial dimension). Numerical calculation indicates that these conditions are optimal.

*Phys Rev Lett ; 128(1): 010602, 2022 Jan 07.*

##### RESUMO

The Landauer principle states that any logically irreversible information processing must be accompanied by dissipation into the environment. In this Letter, we investigate the heat dissipation associated with finite-time information erasure and the effect of quantum coherence in such processes. By considering a scenario wherein information is encoded in an open quantum system whose dynamics are described by the Markovian Lindblad equation, we show that the dissipated heat is lower bounded by the conventional Landauer cost, as well as a correction term inversely proportional to the operational time. To clarify the relation between quantum coherence and dissipation, we derive a lower bound for heat dissipation in terms of quantum coherence. This bound quantitatively implies that the creation of quantum coherence in the energy eigenbasis during the erasure process inevitably leads to additional heat costs. The obtained bounds hold for arbitrary operational time and control protocol. By following an optimal control theory, we numerically present an optimal protocol and illustrate our findings by using a single-qubit system.

*Bioorg Med Chem Lett ; 54: 128440, 2021 12 15.*

##### RESUMO

The continuing investigation of SAR of 3-aminothieno[2,3-b]pyridine-2-carboxamide derivatives has been described. In this study, C4-piperidine derivatives with polar functional groups were synthesized to develop orally available bone anabolic agents. The optimized compound 9o (DS96432529), which exhibited the best PK profile and high in vitro activity, showed the highest in vivo efficacy in this series. Moreover, significant synergistic effects were observed following co-administration of DS96432529 and alendronate or parathyroid hormone. The mechanism of action is most likely mediated through CDK8 inhibition.

##### Assuntos

Anabolizantes/farmacologia , Osso e Ossos/efeitos dos fármacos , Descoberta de Drogas , Administração Oral , Anabolizantes/administração & dosagem , Anabolizantes/química , Relação Dose-Resposta a Droga , Humanos , Estrutura Molecular , Relação Estrutura-Atividade*Phys Rev Lett ; 127(1): 010601, 2021 Jul 02.*

##### RESUMO

The theory of fluctuating hydrodynamics has been an important tool for analyzing macroscopic behavior in nonlinear lattices. However, despite its practical success, its microscopic derivation is still incomplete. In this work, we provide the microscopic derivation of fluctuating hydrodynamics, using the coarse-graining and projection technique; the equivalence of ensembles turns out to be critical. The Green-Kubo (GK)-like formula for the bare transport coefficients are presented in a numerically computable form. Our numerical simulations show that the bare transport coefficients exist for a sufficiently large but finite coarse-graining length in the infinite lattice within the framework of the GK-like formula. This demonstrates that the bare transport coefficients uniquely exist for each physical system.

*Phys Rev Lett ; 126(3): 030604, 2021 Jan 22.*

##### RESUMO

In this study, we investigate out-of-time-order correlators (OTOCs) in systems with power-law decaying interactions such as R^{-α}, where R is the distance. In such systems, the fast scrambling of quantum information or the exponential growth of information propagation can potentially occur according to the decay rate α. In this regard, a crucial open challenge is to identify the optimal condition for α such that fast scrambling cannot occur. In this study, we disprove fast scrambling in generic long-range interacting systems with α>D (D: spatial dimension), where the total energy is extensive in terms of system size and the thermodynamic limit is well defined. We rigorously demonstrate that the OTOC shows a polynomial growth over time as long as α>D and the necessary scrambling time over a distance R is larger than tâ³R^{[(2α-2D)/(2α-D+1)]}.

*Phys Rev Lett ; 127(7): 070403, 2021 Aug 13.*

##### RESUMO

In this work, we investigate how quickly local perturbations propagate in interacting boson systems with Bose-Hubbard-type Hamiltonians. In general, these systems have unbounded local energies, and arbitrarily fast information propagation may occur. We focus on a specific but experimentally natural situation in which the number of bosons at any one site in the unperturbed initial state is approximately limited. We rigorously prove the existence of an almost-linear information-propagation light cone, thus establishing a Lieb-Robinson bound: the wave front grows at most as t log^{2}(t). We prove the clustering theorem for gapped ground states and study the time complexity of classically simulating one-dimensional quench dynamics, a topic of great practical interest.

*Nat Commun ; 11(1): 4478, 2020 Sep 08.*

##### RESUMO

The area law for entanglement provides one of the most important connections between information theory and quantum many-body physics. It is not only related to the universality of quantum phases, but also to efficient numerical simulations in the ground state. Various numerical observations have led to a strong belief that the area law is true for every non-critical phase in short-range interacting systems. However, the area law for long-range interacting systems is still elusive, as the long-range interaction results in correlation patterns similar to those in critical phases. Here, we show that for generic non-critical one-dimensional ground states with locally bounded Hamiltonians, the area law robustly holds without any corrections, even under long-range interactions. Our result guarantees an efficient description of ground states by the matrix-product state in experimentally relevant long-range systems, which justifies the density-matrix renormalization algorithm.

*Phys Rev Lett ; 124(20): 200604, 2020 May 22.*

##### RESUMO

The clustering property of an equilibrium bipartite correlation is one of the most general thermodynamic properties in noncritical many-body quantum systems. Herein, we consider the thermalization properties of a system class exhibiting the clustering property. We investigate two regimes, namely, regimes of high and low density of states corresponding to high- and low-energy regimes, respectively. We show that the clustering property is connected to several properties on the eigenstate thermalization through the density of states. Remarkably, the eigenstate thermalization is obtained in the low-energy regime with a sparse density of states, which is typically seen in gapped systems. For the high-energy regime, we demonstrate the ensemble equivalence between microcanonical and canonical ensembles even for a subexponentially small energy shell with respect to the system size, which eventually leads to the weak version of eigenstate thermalization.

*Phys Rev Lett ; 124(4): 040602, 2020 Jan 31.*

##### RESUMO

We develop a general framework to describe the thermodynamics of microscopic heat engines driven by arbitrary periodic temperature variations and modulations of a mechanical control parameter. Within the slow-driving regime, our approach leads to a universal trade-off relation between efficiency and power, which follows solely from geometric arguments and holds for any thermodynamically consistent microdynamics. Focusing on Lindblad dynamics, we derive a second bound showing that coherence as a genuine quantum effect inevitably reduces the performance of slow engine cycles regardless of the driving amplitudes. To show how our theory can be applied in practice, we work out a specific example, which lies within the range of current solid-state technologies.

*FEBS Lett ; 594(10): 1615-1623, 2020 05.*

##### RESUMO

Activation of the mineralocorticoid receptor (MR) has long been considered a risk factor for cardiovascular diseases. It has been reported that the novel MR blocker esaxerenone shows high potency and selectivity for MR in vitro as well as great antihypertensive and renoprotective effects in salt-sensitive hypertensive rats. Here, we determined the cocrystal structure of the MR ligand-binding domain (MR-LBD) with esaxerenone and found that esaxerenone binds to MR-LBD in a unique manner with large side-chain rearrangements, distinct from those of previously published MR antagonists. This structure also displays an antagonist form that has not been observed for MR previously. Such a unique binding mode of esaxerenone provides great insight into the novelty, potency, and selectivity of this novel antihypertensive drug.

##### Assuntos

Antagonistas de Receptores de Mineralocorticoides/química , Domínios Proteicos , Pirróis/química , Receptores de Mineralocorticoides/química , Sulfonas/química , Sequência de Aminoácidos , Cristalografia por Raios X , Eplerenona/química , Humanos , Ligantes , Modelos Moleculares , Espironolactona/química , Especificidade por Substrato*Phys Rev Lett ; 123(11): 110603, 2019 Sep 13.*

##### RESUMO

We establish that entropy production, which is crucial to the characterization of thermodynamic irreversibility, is obtained through a variational principle involving the Kulback-Leibler divergence. A simple application of this representation leads to an information-theoretical bound on entropy production in thermal relaxation processes; this is a stronger inequality than the conventional second law of thermodynamics. This bound is also interpreted as a constraint on the possible path of a thermal relaxation process in terms of information geometry. Our results reveal a hidden universal law inherent to general thermal relaxation processes.

*Phys Rev Lett ; 122(23): 230602, 2019 Jun 14.*

##### RESUMO

We investigate the fluctuations of the time elapsed until the electric charge transferred through a conductor reaches a given threshold value. For this purpose, we measure the distribution of the first-passage times for the net number of electrons transferred between two metallic islands in the Coulomb blockade regime. Our experimental results are in excellent agreement with numerical calculations based on a recent theory describing the exact first-passage-time distributions for any nonequilibrium stationary Markov process. We also derive a simple analytical approximation for the first-passage-time distribution, which takes into account the non-Gaussian statistics of the electron transport, and show that it describes the experimental distributions with high accuracy. This universal approximation describes a wide class of stochastic processes, and can be used beyond the context of mesoscopic charge transport. In addition, we verify experimentally a fluctuation relation between the first-passage-time distributions for positive and negative thresholds.

*Phys Rev E ; 99(5-1): 052127, 2019 May.*

##### RESUMO

We provide exact results for the mean and variance of first-passage times (FPTs) of making a directed revolution in the presence of a bias in heterogeneous quenched environments where the disorder is expressed by random traps on a ring with period L. FPT statistics are crucially affected by the disorder realization. In the large-L limit, we obtain exact formulas for the FPT statistics, which are described by the sample mean and variance for waiting times of periodically arranged traps. Furthermore, we find that these formulas are still useful for nonperiodic heterogeneous environments; i.e., the results are valid for almost all disorder realizations. Our findings are fundamentally important for the application of FPT to estimate diffusivity of a heterogeneous environment under a bias.

*Bioorg Med Chem Lett ; 29(14): 1769-1773, 2019 07 15.*

##### RESUMO

The synthesis and structure-activity relationships of a novel series of 3-aminothieno[2,3-b]pyridine-2-carboxamides were explored. Our efforts were focused on modifying the C-4 substituent of the thienopyridine ring to develop orally available bone anabolic agents. 4-Alkoxy derivatives were found to be novel ALPase enhancers without inhibitory effect on P450 activity. Among these derivatives, compound 6k was orally administered to ovariectomized rats, and it was found to significantly improve areal bone mineral density at a dose of 30â¯mg/kg/day.

##### Assuntos

Fosfatase Alcalina/uso terapêutico , Osteoporose/tratamento farmacológico , Piridinas/síntese química , Fosfatase Alcalina/farmacologia , Humanos , Relação Estrutura-Atividade*Phys Rev Lett ; 121(17): 170402, 2018 Oct 26.*

##### RESUMO

The last decade has witnessed remarkable progress in our understanding of thermalization in isolated quantum systems. Combining the eigenstate thermalization hypothesis with quantum measurement theory, we extend the framework of quantum thermalization to open many-body systems. A generic many-body system subject to continuous observation is shown to thermalize at a single trajectory level. We show that the nonunitary nature of quantum measurement causes several unique thermalization mechanisms that are unseen in isolated systems. We present numerical evidence for our findings by applying our theory to specific models that can be experimentally realized in atom-cavity systems and with quantum gas microscopy. Our theory provides a general method to determine an effective temperature of quantum many-body systems subject to the Lindblad master equation and thus should be applicable to noisy dynamics or dissipative systems coupled to nonthermal Markovian environments as well as continuously monitored systems. Our work provides yet another insight into why thermodynamics emerges so universally.

*Phys Rev Lett ; 121(7): 070601, 2018 Aug 17.*

##### RESUMO

We consider the speed limit for classical stochastic Markov processes with and without the local detailed balance condition. We find that, for both cases, a trade-off inequality exists between the speed of the state transformation and the entropy production. The dynamical activity is related to a time scale and plays a crucial role in the inequality. For the dynamics without the local detailed balance condition, we use the Hatano-Sasa entropy production instead of the standard entropy production. Our inequalities consist of the quantities that are commonly used in stochastic thermodynamics and explicitly show underlying physical mechanisms.

*Phys Rev Lett ; 121(11): 110403, 2018 Sep 14.*

##### RESUMO

The underlying mechanism in the implementation of unitary operation on a system with an external apparatus is studied. We implement the unitary time evolution in the system as a physical phenomenon that results from the interaction between the system and the apparatus. We investigate the fundamental limitation of an accurate implementation for the desired unitary time evolution. This limitation is manifested in the form of trade-off relations between the accuracy of the implementation and quantum fluctuation of energy in the external apparatus. Our relations clearly show that an accurate unitary operation requires a large energy fluctuation inside the apparatus originated from the quantum fluctuation.

*Phys Rev E ; 97(5-1): 052143, 2018 May.*

##### RESUMO

Tracking tracer particles in heterogeneous environments plays an important role in unraveling material properties. These heterogeneous structures are often static and depend on the sample realizations. Sample-to-sample fluctuations of such disorder realizations sometimes become considerably large. When we investigate the sample-to-sample fluctuations, fundamental averaging procedures are a thermal average for a single disorder realization and the disorder average for different disorder realizations. Here we report on non-self-averaging phenomena in quenched trap models with finite system sizes, where we consider the periodic and the reflecting boundary conditions. Sample-to-sample fluctuations of diffusivity greatly exceed trajectory-to-trajectory fluctuations of diffusivity in the corresponding annealed model. For a single disorder realization, the time-averaged mean square displacement and position-dependent observables converge to constants because of the existence of the equilibrium distribution. This is a manifestation of ergodicity. As a result, the time-averaged quantities depend neither on the initial condition nor on the thermal histories but depend crucially on the disorder realization.