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| Open AccessRedefined ion association constants have consequences for calcium phosphate nucleation and biomineralization
While clusters in calcium orthophosphate nucleation have long been known, their speciation and mechanistic pathways to hydroxyapatite remain debated. Here the authors report a revision of ion association in the calcium phosphate system and explore the consequences thereof on the early stages of phase separation.
- David P. McDonogh
- , Julian D. Gale
- & Denis Gebauer
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Article
| Open AccessMotility-induced coexistence of a hot liquid and a cold gas
Inertial active matter can self-organize into coexisting phases that feature different temperatures, but experimental realizations are limited. Here, the authors report the coexistence of hot liquid and cold gas states in mixtures of overdamped active and inertial passive Brownian particles, giving a broader relevance.
- Lukas Hecht
- , Iris Dong
- & Benno Liebchen
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Article
| Open AccessFuzzy recognition by the prokaryotic transcription factor HigA2 from Vibrio cholerae
Here, the authors dissect the fuzzy interaction between the prokaryote transcription factor HigA2 and its DNA target and show that specific, transient interactions drive specificity despite HigA2 remaining mostly disordered.
- San Hadži
- , Zala Živič
- & Remy Loris
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Article
| Open AccessTheoretical formulation of chemical equilibrium under vibrational strong coupling
Strong light-matter interactions in optical microcavities can be used to control molecular kinetic and thermodynamic phenomena. Here, the authors introduce a theory that describes the nonperturbative effects of infrared microcavities on chemical equilibria.
- Kaihong Sun
- & Raphael F. Ribeiro
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Article
| Open AccessSpecificity, synergy, and mechanisms of splice-modifying drugs
Two small-molecule drugs, risdiplam and branaplam, have been developed for treating spinal muscular atrophy. Here the authors develop quantitative modeling methods for the sequence-specific and concentration-dependent effects of these and other splice-modifying drugs.
- Yuma Ishigami
- , Mandy S. Wong
- & Justin B. Kinney
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Article
| Open AccessA release of local subunit conformational heterogeneity underlies gating in a muscle nicotinic acetylcholine receptor
Authors show that agonist binding to the muscle acetylcholine receptor releases local conformational heterogeneity transitioning all subunits into a symmetric open state. A release of conformational heterogeneity underlies allosteric communication.
- Mackenzie J. Thompson
- , Farid Mansoub Bekarkhanechi
- & John E. Baenziger
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Article
| Open AccessDirect in-situ insights into the asymmetric surface reconstruction of rutile TiO2 (110)
The reconstruction of rutile TiO2 (110) impacts its surface chemistry and catalytic properties. Here, the authors offer a detailed understanding of the asymmetric surface reconstruction of TiO2 (110)-(1×2) through a combination of STEM and DFT calculations.
- Wentao Yuan
- , Bingwei Chen
- & Yong Wang
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Article
| Open AccessMolecular switching in transcription through splicing and proline-isomerization regulates stress responses in plants
Transcription factor DREB2A interacts with Med25 to regulate stress responses. Here, the authors show that DREB2A uses splicing and proline-isomerization for this regulation and that proline cis-trans switching introduces structural frustration facilitating regulator exchange.
- Frederik Friis Theisen
- , Andreas Prestel
- & Karen Skriver
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Article
| Open AccessGiant adiabatic temperature change and its direct measurement of a barocaloric effect in a charge-transfer solid
Cyano-RbMnFeCo shows a large barocaloric effect with reversible adiabatic temperature changes of 74 K (340 MPa) and 85 K (560 MPa). Here, the authors observe temperature change of +44 K (440 MPa), stable after repeating over 100 times.
- Shin-ichi Ohkoshi
- , Kosuke Nakagawa
- & Ryu Hatano
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Article
| Open AccessUnveiling the double-peak structure of quantum oscillations in the specific heat
Quantum oscillations serve as an important probe of electronic structure of quantum materials. Yang et al. study quantum oscillations in the electronic specific heat of natural graphite, unveiling a double-peak structure absent in commonly used theory, and show its utility in determining the Landé g-factors.
- Zhuo Yang
- , Benoît Fauqué
- & Yoshimitsu Kohama
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Article
| Open AccessQuantitative assessment of the universal thermopower in the Hubbard model
High-temperature behaviour of thermopower is special in cuprates, allowing for theory-experiment comparisons. Wang et al. use quantum Monte Carlo to compute high temperature thermopower in the Hubbard model, demonstrating qualitative and quantitative agreement with experiments across multiple cuprate families.
- Wen O. Wang
- , Jixun K. Ding
- & Thomas P. Devereaux
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| Open AccessTransport of bound quasiparticle states in a two-dimensional boundary superfluid
Superfluid 3He appears to be composed of two independent superfluid subsystems. Here the authors discuss diffusion of quasiparticles in the two-dimensional boundary superfluid.
- Samuli Autti
- , Richard P. Haley
- & Dmitry E. Zmeev
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| Open AccessOvercoming power-efficiency tradeoff in a micro heat engine by engineered system-bath interactions
The trade-off between power and efficiency in designing heat engines has remained unsolved for the last two centuries. The authors overcome this trade-off in a colloidal Stirling engine by electrophoretically inducing system-reservoir interactions to enhance heat transfer during an isochoric process.
- Sudeesh Krishnamurthy
- , Rajesh Ganapathy
- & A. K. Sood
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Article
| Open AccessDefying decomposition: the curious case of choline chloride
A rational design of deep eutectic solvents (DESs) is hindered because fundamental DES components, such as choline chloride (ChCl), decompose before melting. Here authors determine the melting properties of ChCl, unveiling ionic plastic crystals as a platform for DESs that meet modern sustainability, health, and safety requirements.
- Adriaan van den Bruinhorst
- , Jocasta Avila
- & Margarida Costa Gomes
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Article
| Open AccessA nanoscale view of the origin of boiling and its dynamics
Boiling, despite being a well-known phenomenon still lacks an understanding of its multiscale and non-equilibrium nature. Using the stochastic mesoscale model based on fluctuating hydrodynamics and diffuse interface approach Gallo et al. describe the process of boiling from nucleation to macroscopic bubble dynamics.
- Mirko Gallo
- , Francesco Magaletti
- & Carlo Massimo Casciola
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Article
| Open AccessThermodynamic principle to enhance enzymatic activity using the substrate affinity
Currently, there is no well-defined strategy to increase the activity of enzymes. Here, the authors provide mathematical evidence that adjusting the Michaelis-Menten constant to the substrate concentration maximizes enzymatic activity.
- Hideshi Ooka
- , Yoko Chiba
- & Ryuhei Nakamura
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Article
| Open AccessNetwork-wide thermodynamic constraints shape NAD(P)H cofactor specificity of biochemical reactions
NADH and NADPH are redox cofactors coexisting in all living cells. Here, the authors present a computational study suggesting that evolved NAD(P)H reaction specificities in E. coli are largely shaped by metabolic network structure enabling maximal thermodynamic driving forces close to the theoretical optimum.
- Pavlos Stephanos Bekiaris
- & Steffen Klamt
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Article
| Open AccessFundamental investigations on the ionic transport and thermodynamic properties of non-aqueous potassium-ion electrolytes
K-ion batteries may have rate advantages over Li-ion batteries due to the larger size of the cation. Here, the authors characterize the ionic transport and thermodynamic properties of non-aqueous K-ion electrolyte solutions demonstrating higher K-ion mobility than the Li-ion counterpart.
- Shobhan Dhir
- , Ben Jagger
- & Mauro Pasta
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Article
| Open AccessNonequilibrium thermodynamics of the asymmetric Sherrington-Kirkpatrick model
The Sherrington-Kirkpatrick model is a paradigmatic model in the field of complex disordered systems such as spin glasses and neural networks. Here the authors study the stochastic thermodynamics of an asymmetric version of the model by using a path integral method and provide exact solutions for the entropy production.
- Miguel Aguilera
- , Masanao Igarashi
- & Hideaki Shimazaki
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| Open AccessRealistic phase diagram of water from “first principles” data-driven quantum simulations
The molecular modelling of water has been a long sought-after goal in computational sciences for more than 50 years. Here, the authors show that the data-driven many-body MB-pol potential can provide a realistic representation of the phase diagram of water.
- Sigbjørn Løland Bore
- & Francesco Paesani
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Article
| Open AccessUnifying speed limit, thermodynamic uncertainty relation and Heisenberg principle via bulk-boundary correspondence
In classical and quantum thermodynamics, a trade-off between speed, precision and cost is of relevance for problems in open quantum dynamics and various biomolecular processes. By employing bulk-boundary correspondence, the authors uncover connection between thermodynamic uncertainty relations and speed limit relations.
- Yoshihiko Hasegawa
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Article
| Open AccessComplex phase transitions and phase engineering in the aqueous solution of an isopolyoxometalate cluster
Complex phase transitions including gelation in dilute aqueous solutions of polyanionic clusters ([Mo7O24]6−) in the presence of (Fe(NO3)3) and attributed to the counterion association and overcharging on the clusters, have been identified.
- Zhi-Da Wang
- , Song Liang
- & Hong-Ying Zang
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Article
| Open AccessElectronic signatures of Lorentzian dynamics and charge fluctuations in lithiated graphite structures
Lithium graphite intercalation compounds are important for developing Li-ion batteries. Here authors simulate the interaction of high energy X-rays with Li ions intercalated in graphite and show that Li ions behave in an unexpected non-Gaussian fashion, leading to increasingly chaotic behaviour as the ion concentration reduces.
- Sasawat Jamnuch
- & Tod A. Pascal
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Article
| Open AccessSupercritical fluids behave as complex networks
Supercritical fluids have local density inhomogeneities caused by molecular clusters. Authors show that the molecular interactions of supercritical fluids, associated with localized clusters, obey complex network dynamics that can be represented by a hidden-variable network model.
- Filip Simeski
- & Matthias Ihme
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Article
| Open AccessNanoscale thermodynamics needs the concept of a disjoining chemical potential
Matter behaves differently at the nanoscale. Here, the author introduces the concept of a disjoining chemical potential for nanoscale thermodynamics, showing that thermodynamic functions depend on the environment, and suggests possible experimental verifications.
- W. Dong
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Article
| Open AccessFundamental energy cost of finite-time parallelizable computing
Based on fundamental thermodynamics, traditional electronic computers, which operate serially, require more energy per computation the faster they operate. Here, the authors show that the energy cost per operation of a parallel computer can be kept very small.
- Michael Konopik
- , Till Korten
- & Heiner Linke
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Article
| Open AccessCreating bulk ultrastable glasses by random particle bonding
Viable methods for the production of ultrastable glasses are much sought after. A potential approach for creating bulk ultrastable glasses, based on random particle bonding scenarios, is now numerically investigated. The method is expected to be applicable to molecular and colloidal glasses.
- Misaki Ozawa
- , Yasutaka Iwashita
- & Francesco Zamponi
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| Open AccessPrethermalization in one-dimensional quantum many-body systems with confinement
Some quantum spin models provide a condensed-matter realization of confinement, and previous work has shown that confinement affects the way they thermalize. Here the authors demonstrate for a many-body model with confinement that thermalization dynamics occurs in multiple stages, starting with a prethermal state.
- Stefan Birnkammer
- , Alvise Bastianello
- & Michael Knap
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| Open AccessDynamical control of quantum heat engines using exceptional points
Investigations of quantum thermal machines and Liouvillian exceptional points have rarely crossed each other. Here, the authors realize experimentally a quantum Otto engine using a single trapped ion, and show that crossing a Liouvillian exceptional point during the cycle increases the engine performance.
- J.-W. Zhang
- , J.-Q. Zhang
- & M. Feng
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Article
| Open AccessA simple thermodynamic description of phase separation of Nup98 FG domains
The nuclear pore complex (NPC) barrier is a selective phase assembled from disordered but cohesive FG domains. The authors provide a thermodynamic description of an FG phase that is ultimately simplified and yet closely recapitulates NPC transport selectivity.
- Sheung Chun Ng
- & Dirk Görlich
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Article
| Open AccessStructural diversity in three-dimensional self-assembly of nanoplatelets by spherical confinement
Nanoplatelets can be used as anisotropic building blocks for constructing novel optoelectronic materials. Here, Wang et al. show a route of assembling nanoplatelets with controllable positional and orientational order in three dimensions facilitated by the surface tension of drying emulsion droplets.
- Da Wang
- , Michiel Hermes
- & Alfons van Blaaderen
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Comment
| Open AccessCritical aspects to enable viable solar-driven evaporative technologies for water treatment
While passive solar-driven evaporative systems promise higher economic and environmental sustainability in water treatment, many challenges remain for their effective adoption. Here, the author identifies three main pillars and corresponding issues which future research should focus on to bring these technologies to the next maturity level.
- Eliodoro Chiavazzo
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Article
| Open AccessMacromolecular crowding and supersaturation protect hemodialysis patients from the onset of dialysis-related amyloidosis
Amyloid fibrils of β2-microglobulin (β2m) can cause dialysis-related amyloidosis. Here, the authors show that a decrease in serum albumin levels in long-term dialysis deteriorates the inhibitory effects of serum milieux on supersaturation-limited amyloid formation of β2m, suggesting that macromolecular crowding protects the onset of amyloidosis.
- Kichitaro Nakajima
- , Keiichi Yamaguchi
- & Yuji Goto
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Article
| Open AccessEmergent second law for non-equilibrium steady states
Contrary to states of thermal equilibrium, there is no universal characterization of non-equilibrium steady states displaying constant flows of energy and/or matter. Here, the authors make progress in this direction by deriving an emergent and stricter version of the second law of thermodynamics.
- José Nahuel Freitas
- & Massimiliano Esposito
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Article
| Open AccessA comprehensive thermodynamic model for RNA binding by the Saccharomyces cerevisiae Pumilio protein PUF4
Traditional genomic methods identify RNA-binding proteins (RBPs) and the genes they regulate, but do not provide predictive models. The authors used an emerging technology to obtain a complete thermodynamic model for RNA binding to the PUF4 RBP.
- Christoph Sadée
- , Lauren D. Hagler
- & Daniel Herschlag
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Matters Arising
| Open AccessIs configurational entropy the main stabilizing term in rock-salt Mg0.2Co0.2Ni0.2Cu0.2Zn0.2O high entropy oxide?
- Martina Fracchia
- , Mauro Coduri
- & Umberto Anselmi Tamburini
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Article
| Open AccessBeating Carnot efficiency with periodically driven chiral conductors
The power generated by an ideal thermal machine cannot exceed the Carnot limit in classical physics. Here, Ryu et al., demonstrate that a periodically driven quantum chiral conductor can exhibit efficiencies beyond the Carnot limit while the second law of thermodynamics is preserved.
- Sungguen Ryu
- , Rosa López
- & David Sánchez
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| Open AccessSimulating a chemically fueled molecular motor with nonequilibrium molecular dynamics
Molecular motors move in response to an imbalance between concentrations of fuel and waste molecules. Here, the authors simulate such non-equilibrium conditions to characterize a model motor’s performance and mechanism of operation.
- Alex Albaugh
- & Todd R. Gingrich
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Article
| Open AccessA metafluid with multistable density and internal energy states
Investigating and tailoring the thermodynamic properties of different fluids is crucial to many applied fields such as energy and refrigeration cycles. Here, authors use multistable, gas filled, particles suspension to enhance the macro-properties of thermodynamic fluids.
- Ofek Peretz
- , Ezra Ben Abu
- & Amir D. Gat
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Article
| Open AccessPhotonic heat transport in three terminal superconducting circuit
Quantum heat transport devices are currently intensively studied. Here, the authors report the photonic heat transport modulated by superconducting qubit in a three-terminal device. Flux dependent heat power correlates with microwave measurements.
- Azat Gubaydullin
- , George Thomas
- & Jukka P. Pekola
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Article
| Open AccessExcellently balanced water-intercalation-type heat-storage oxide
There are few well-balanced heat storage materials up to date. Here, the authors report that δ-type K0.33MnO2 ∙ nH2O can be an excellently balanced heat storage material exhibiting a “water-intercalation mechanism”.
- Takuya Hatakeyama
- , Norihiko L. Okamoto
- & Tetsu Ichitsubo
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Article
| Open AccessMapping the sequence specificity of heterotypic amyloid interactions enables the identification of aggregation modifiers
In this work, Louros et al. uncover a rule book for interactions of amyloids with other proteins. This grammar was shown to promote cellular spreading of tau aggregates in cells, but can also be harvested to develop structure-based aggregation blockers.
- Nikolaos Louros
- , Meine Ramakers
- & Joost Schymkowitz
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Article
| Open AccessPressure-induced liquid-liquid transition in a family of ionic materials
Liquid−liquid transitions (LLTs) have been reported for some molecular systems but are difficult to observe under high pressure conditions. Here the authors report and characterize a first-order LLT in a series of ionic liquids containing the trihexyl(tetradecyl)phosphonium cation and anions of different sizes and shapes, using calorimetric and dielectric measurements.
- Zaneta Wojnarowska
- , Shinian Cheng
- & Marian Paluch
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| Open AccessRobustly printable freeform thermal metamaterials
Thermal metamaterials can be used to manipulate heat flow but experimental fabrication is challenging. Here, the authors report robustly printable freeform thermal metamaterials to tackle this challenge by topology optimization and 3D printing.
- Wei Sha
- , Mi Xiao
- & Run Hu
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Article
| Open AccessPhonon-induced disorder in dynamics of optically pumped metals from nonlinear electron-phonon coupling
Superconductivity reported in metals driven away from equilibrium via optical pumping has been proposed to arise from nonlinear coupling between electrons and optically excited phonons. The authors use an exact approach to show that here, disorder, which disfavors superconductivity, emerges even though the system is translationally invariant.
- John Sous
- , Benedikt Kloss
- & Andrew J. Millis
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Article
| Open AccessTuning the performance of a micrometer-sized Stirling engine through reservoir engineering
Micro scale heat engines may be subjected to quite intriguing scenarios. Roy et al superimpose artificial random kicks on an optically trapped colloid, emulating a memoryless non-gaussian reservoir that markedly alters the conditions under which the engine performs at optimum efficiency.
- Niloyendu Roy
- , Nathan Leroux
- & Rajesh Ganapathy
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Article
| Open AccessQuasi-equilibrium phase coexistence in single component supercritical fluids
In their supercritical state simple fluids are generally thought to assume a homogeneous phase throughout. Lee et al. find that liquid droplets temporarily formed in a supercritical background after sub-critical injection can survive for a surprisingly long time.
- Seungtaek Lee
- , Juho Lee
- & Gunsu Yun
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Article
| Open AccessDecoupling between calorimetric and dynamical glass transitions in high-entropy metallic glasses
Here the authors study thermodynamic and dynamic glass transition of high entropy metallic glasses. Results show retarded α-relaxation and distinct crystallization resistance attributed to their sluggish diffusion and high-entropy mixing that is different from the traditional metallic glasses.
- Jing Jiang
- , Zhen Lu
- & Mingwei Chen