@article{13363,
  abstract     = {Temporal activation of biological processes by visible light and subsequent return to an inactive state in the absence of light is an essential characteristic of photoreceptor cells. Inspired by these phenomena, light-responsive materials are very attractive due to the high spatiotemporal control of light irradiation, with light being able to precisely orchestrate processes repeatedly over many cycles. Herein, it is reported that light-driven proton transfer triggered by a merocyanine-based photoacid can be used to modulate the permeability of pH-responsive polymersomes through cyclic, temporally controlled protonation and deprotonation of the polymersome membrane. The membranes can undergo repeated light-driven swelling–contraction cycles without losing functional effectiveness. When applied to enzyme loaded-nanoreactors, this membrane responsiveness is used for the reversible control of enzymatic reactions. This combination of the merocyanine-based photoacid and pH-switchable nanoreactors results in rapidly responding and versatile supramolecular systems successfully used to switch enzymatic reactions ON and OFF on demand.},
  author       = {Moreno, Silvia and Sharan, Priyanka and Engelke, Johanna and Gumz, Hannes and Boye, Susanne and Oertel, Ulrich and Wang, Peng and Banerjee, Susanta and Klajn, Rafal and Voit, Brigitte and Lederer, Albena and Appelhans, Dietmar},
  issn         = {1613-6829},
  journal      = {Small},
  keywords     = {Biomaterials, Biotechnology, General Materials Science, General Chemistry},
  number       = {37},
  publisher    = {Wiley},
  title        = {{Light‐driven proton transfer for cyclic and temporal switching of enzymatic nanoreactors}},
  doi          = {10.1002/smll.202002135},
  volume       = {16},
  year         = {2020},
}

@article{13364,
  abstract     = {Photochromic molecules undergo reversible isomerization upon irradiation with light at different wavelengths, a process that can alter their physical and chemical properties. For instance, dihydropyrene (DHP) is a deep-colored compound that isomerizes to light-brown cyclophanediene (CPD) upon irradiation with visible light. CPD can then isomerize back to DHP upon irradiation with UV light or thermally in the dark. Conversion between DHP and CPD is thought to proceed via a biradical intermediate; bimolecular events involving this unstable intermediate thus result in rapid decomposition and poor cycling performance. Here, we show that the reversible isomerization of DHP can be stabilized upon confinement within a PdII6L4 coordination cage. By protecting this reactive intermediate using the cage, each isomerization reaction proceeds to higher yield, which significantly decreases the fatigue experienced by the system upon repeated photocycling. Although molecular confinement is known to help stabilize reactive species, this effect is not typically employed to protect reactive intermediates and thus improve reaction yields. We envisage that performing reactions under confinement will not only improve the cyclic performance of photochromic molecules, but may also increase the amount of product obtainable from traditionally low-yielding organic reactions.},
  author       = {Canton, Martina and Grommet, Angela B. and Pesce, Luca and Gemen, Julius and Li, Shiming and Diskin-Posner, Yael and Credi, Alberto and Pavan, Giovanni M. and Andréasson, Joakim and Klajn, Rafal},
  issn         = {1520-5126},
  journal      = {Journal of the American Chemical Society},
  keywords     = {Colloid and Surface Chemistry, Biochemistry, General Chemistry, Catalysis},
  number       = {34},
  pages        = {14557--14565},
  publisher    = {American Chemical Society},
  title        = {{Improving fatigue resistance of dihydropyrene by encapsulation within a coordination cage}},
  doi          = {10.1021/jacs.0c06146},
  volume       = {142},
  year         = {2020},
}

@article{13365,
  abstract     = {Photoswitchable molecules are employed for many applications, from the development of active materials to the design of stimuli-responsive molecular systems and light-powered molecular machines. To fully exploit their potential, we must learn ways to control the mechanism and kinetics of their photoinduced isomerization. One possible strategy involves confinement of photoresponsive switches such as azobenzenes or spiropyrans within crowded molecular environments, which may allow control over their light-induced conversion. However, the molecular factors that influence and control the switching process under realistic conditions and within dynamic molecular regimes often remain difficult to ascertain. As a case study, here we have employed molecular models to probe the isomerization of azobenzene guests within a Pd(II)-based coordination cage host in water. Atomistic molecular dynamics and metadynamics simulations allow us to characterize the flexibility of the cage in the solvent, the (rare) guest encapsulation and release events, and the relative probability/kinetics of light-induced isomerization of azobenzene analogues in these host–guest systems. In this way, we can reconstruct the mechanism of azobenzene switching inside the cage cavity and explore key molecular factors that may control this event. We obtain a molecular-level insight on the effects of crowding and host–guest interactions on azobenzene isomerization. The detailed picture elucidated by this study may enable the rational design of photoswitchable systems whose reactivity can be controlled via host–guest interactions.},
  author       = {Pesce, Luca and Perego, Claudio and Grommet, Angela B. and Klajn, Rafal and Pavan, Giovanni M.},
  issn         = {1520-5126},
  journal      = {Journal of the American Chemical Society},
  keywords     = {Colloid and Surface Chemistry, Biochemistry, General Chemistry, Catalysis},
  number       = {21},
  pages        = {9792--9802},
  publisher    = {American Chemical Society},
  title        = {{Molecular factors controlling the isomerization of Azobenzenes in the cavity of a flexible coordination cage}},
  doi          = {10.1021/jacs.0c03444},
  volume       = {142},
  year         = {2020},
}

@article{13367,
  abstract     = {Confining molecules can fundamentally change their chemical and physical properties. Confinement effects are considered instrumental at various stages of the origins of life, and life continues to rely on layers of compartmentalization to maintain an out-of-equilibrium state and efficiently synthesize complex biomolecules under mild conditions. As interest in synthetic confined systems grows, we are realizing that the principles governing reactivity under confinement are the same in abiological systems as they are in nature. In this Review, we categorize the ways in which nanoconfinement effects impact chemical reactivity in synthetic systems. Under nanoconfinement, chemical properties can be modulated to increase reaction rates, enhance selectivity and stabilize reactive species. Confinement effects also lead to changes in physical properties. The fluorescence of light emitters, the colours of dyes and electronic communication between electroactive species can all be tuned under confinement. Within each of these categories, we elucidate design principles and strategies that are widely applicable across a range of confined systems, specifically highlighting examples of different nanocompartments that influence reactivity in similar ways.},
  author       = {Grommet, Angela B. and Feller, Moran and Klajn, Rafal},
  issn         = {1748-3395},
  journal      = {Nature Nanotechnology},
  keywords     = {Electrical and Electronic Engineering, Condensed Matter Physics, General Materials Science, Biomedical Engineering, Atomic and Molecular Physics, and Optics, Bioengineering},
  pages        = {256--271},
  publisher    = {Springer Nature},
  title        = {{Chemical reactivity under nanoconfinement}},
  doi          = {10.1038/s41565-020-0652-2},
  volume       = {15},
  year         = {2020},
}

@article{13368,
  abstract     = {Scanning nanoscale superconducting quantum interference devices (nanoSQUIDs) are of growing interest for highly sensitive quantitative imaging of magnetic, spintronic, and transport properties of low-dimensional systems. Utilizing specifically designed grooved quartz capillaries pulled into a sharp pipette, we have fabricated the smallest SQUID-on-tip (SOT) devices with effective diameters down to 39 nm. Integration of a resistive shunt in close proximity to the pipette apex combined with self-aligned deposition of In and Sn, has resulted in SOTs with a flux noise of 42 nΦ0 Hz−1/2, yielding a record low spin noise of 0.29 μB Hz−1/2. In addition, the new SOTs function at sub-Kelvin temperatures and in high magnetic fields of over 2.5 T. Integrating the SOTs into a scanning probe microscope allowed us to image the stray field of a single Fe3O4 nanocube at 300 mK. Our results show that the easy magnetization axis direction undergoes a transition from the 〈111〉 direction at room temperature to an in-plane orientation, which could be attributed to the Verwey phase transition in Fe3O4.},
  author       = {Anahory, Y. and Naren, H. R. and Lachman, E. O. and Buhbut Sinai, S. and Uri, A. and Embon, L. and Yaakobi, E. and Myasoedov, Y. and Huber, M. E. and Klajn, Rafal and Zeldov, E.},
  issn         = {2040-3372},
  journal      = {Nanoscale},
  keywords     = {General Materials Science},
  number       = {5},
  pages        = {3174--3182},
  publisher    = {Royal Society of Chemistry},
  title        = {{SQUID-on-tip with single-electron spin sensitivity for high-field and ultra-low temperature nanomagnetic imaging}},
  doi          = {10.1039/c9nr08578e},
  volume       = {12},
  year         = {2020},
}

@article{13460,
  abstract     = {Binary interaction can cause stellar envelopes to be stripped, which significantly reduces the radius of the star. The orbit of a binary composed of a stripped star and a compact object can therefore be so tight that the gravitational radiation the system produces reaches frequencies accessible to the Laser Interferometer Space Antenna (LISA). Two such stripped stars in tight orbits with white dwarfs are known so far (ZTF J2130+4420 and CD−30°11223), but many more are expected to exist. These binaries provide important constraints for binary evolution models and may be used as LISA verification sources. We develop a Monte Carlo code that uses detailed evolutionary models to simulate the Galactic population of stripped stars in tight orbits with either neutron star or white dwarf companions. We predict 0–100 stripped star + white dwarf binaries and 0–4 stripped star + neutron star binaries with a signal-to-noise ratio >5 after 10 yr of observations with LISA. More than 90% of these binaries are expected to show large radial velocity shifts of ≳200 $\,\mathrm{km}\,{{\rm{s}}}^{-1}$, which are spectroscopically detectable. Photometric variability due to tidal deformation of the stripped star is also expected and has been observed in ZTF J2130+4420 and CD−30°11223. In addition, the stripped star + neutron star binaries are expected to be X-ray bright with LX ≳ 1033–1036 $\,\mathrm{erg}\,{{\rm{s}}}^{-1}$. Our results show that stripped star binaries are promising multimessenger sources for the upcoming electromagnetic and gravitational wave facilities.},
  author       = {Götberg, Ylva Louise Linsdotter and Korol, V. and Lamberts, A. and Kupfer, T. and Breivik, K. and Ludwig, B. and Drout, M. R.},
  issn         = {1538-4357},
  journal      = {The Astrophysical Journal},
  keywords     = {Space and Planetary Science, Astronomy and Astrophysics},
  number       = {1},
  publisher    = {American Astronomical Society},
  title        = {{Stars stripped in binaries: The living gravitational-wave sources}},
  doi          = {10.3847/1538-4357/abbda5},
  volume       = {904},
  year         = {2020},
}

@article{13461,
  abstract     = {High-resolution numerical simulations including feedback and aimed at calculating the escape fraction (fesc) of hydrogen-ionizing photons often assume stellar radiation based on single-stellar population synthesis models. However, strong evidence suggests the binary fraction of massive stars is ≳70%. Moreover, simulations so far have yielded values of fesc falling only on the lower end of the ∼10%–20% range, the amount presumed necessary to reionize the universe. Analyzing a high-resolution (4 pc) cosmological radiation-hydrodynamic simulation, we study how fesc changes when we include two different products of binary stellar evolution—stars stripped of their hydrogen envelopes and massive blue stragglers. Both produce significant amounts of ionizing photons 10–200 Myr after each starburst. We find the relative importance of these photons to be amplified with respect to escaped ionizing photons, because peaks in star formation rates (SFRs) and fesc are often out of phase by this 10–200 Myr. Additionally, low-mass, bursty galaxies emit Lyman continuum radiation primarily from binary products when SFRs are low. Observations of these galaxies by the James Webb Space Telescope could provide crucial information on the evolution of binary stars as a function of redshift. Overall, including stripped stars and massive blue stragglers increases our photon-weighted mean escape fraction ($\langle {f}_{\mathrm{esc}}\rangle $) by ∼13% and ∼10%, respectively, resulting in $\langle {f}_{\mathrm{esc}}\rangle =17 \% $. Our results emphasize that using updated stellar population synthesis models with binary stellar evolution provides a more sound physical basis for stellar reionization.},
  author       = {Secunda, Amy and Cen, Renyue and Kimm, Taysun and Götberg, Ylva Louise Linsdotter and de Mink, Selma E.},
  issn         = {1538-4357},
  journal      = {The Astrophysical Journal},
  keywords     = {Space and Planetary Science, Astronomy and Astrophysics},
  number       = {1},
  publisher    = {American Astronomical Society},
  title        = {{Delayed photons from binary evolution help reionize the universe}},
  doi          = {10.3847/1538-4357/abaefa},
  volume       = {901},
  year         = {2020},
}

@article{13463,
  abstract     = {Present and upcoming time-domain astronomy efforts, in part driven by gravitational-wave follow-up campaigns, will unveil a variety of rare explosive transients in the sky. Here, we focus on pulsational pair-instability evolution, which can result in signatures that are observable with electromagnetic and gravitational waves. We simulated grids of bare helium stars to characterize the resulting black hole (BH) masses together with the ejecta composition, velocity, and thermal state. We find that the stars do not react “elastically” to the thermonuclear ignition in the core: there is not a one-to-one correspondence between pair-instability driven ignition and mass ejections, which causes ambiguity as to what is an observable pulse. In agreement with previous studies, we find that for initial helium core masses of 37.5 M⊙ ≲ MHe, init ≲ 41 M⊙, corresponding to carbon-oxygen core masses 27.5 M⊙ ≲ MCO ≲ 30.1 M⊙, the explosions are not strong enough to affect the surface. With increasing initial helium core mass, they become progressively stronger causing first large radial expansion (41 M⊙ ≲ MHe, init ≲ 42 M⊙, corresponding to 30.1 M⊙ ≲ MCO ≲ 30.8 M⊙) and, finally, also mass ejection episodes (for MHe, init ≳ 42 M⊙, or MCO ≳ 30.8 M⊙). The lowest mass helium core to be fully disrupted in a pair-instability supernova is MHe, init ≃ 80 M⊙, corresponding to MCO ≃ 55 M⊙. Models with MHe, init ≳ 200 M⊙ (MCO ≳ 114 M⊙) reach the photodisintegration regime, resulting in BHs with masses of MBH ≳ 125 M⊙. Although this is currently considered unlikely, if BHs from these models form via (weak) explosions, the previously-ejected material might be hit by the blast wave and convert kinetic energy into observable electromagnetic radiation. We characterize the hydrogen-free circumstellar material from the pulsational pair-instability of helium cores by simply assuming that the ejecta maintain a constant velocity after ejection. We find that our models produce helium-rich ejecta with mass of 10−3 M⊙ ≲ MCSM ≲ 40 M⊙, the larger values corresponding to the more massive progenitor stars. These ejecta are typically launched at a few thousand km s−1 and reach distances of ∼1012 − 1015 cm before the core-collapse of the star. The delays between mass ejection events and the final collapse span a wide and mass-dependent range (from subhour to 104 years), and the shells ejected can also collide with each other, powering supernova impostor events before the final core-collapse. The range of properties we find suggests a possible connection with (some) type Ibn supernovae.},
  author       = {Renzo, M. and Farmer, R. and Justham, S. and Götberg, Ylva Louise Linsdotter and de Mink, S. E. and Zapartas, E. and Marchant, P. and Smith, N.},
  issn         = {1432-0746},
  journal      = {Astronomy & Astrophysics},
  keywords     = {Space and Planetary Science, Astronomy and Astrophysics},
  publisher    = {EDP Sciences},
  title        = {{Predictions for the hydrogen-free ejecta of pulsational pair-instability supernovae}},
  doi          = {10.1051/0004-6361/202037710},
  volume       = {640},
  year         = {2020},
}

@article{13464,
  abstract     = {Massive binaries that merge as compact objects are the progenitors of gravitational-wave sources. Most of these binaries experience one or more phases of mass transfer, during which one of the stars loses all or part of its outer envelope and becomes a stripped-envelope star. The evolution of the size of these stripped stars is crucial in determining whether they experience further interactions and understanding their ultimate fate. We present new calculations of stripped-envelope stars based on binary evolution models computed with MESA. We use these to investigate their radius evolution as a function of mass and metallicity. We further discuss their pre-supernova observable characteristics and potential consequences of their evolution on the properties of supernovae from stripped stars. At high metallicity, we find that practically all of the hydrogen-rich envelope is removed, which is in agreement with earlier findings. Only progenitors with initial masses below 10 M⊙ expand to large radii (up to 100 R⊙), while more massive progenitors remain compact. At low metallicity, a substantial amount of hydrogen remains and the progenitors can, in principle, expand to giant sizes (> 400 R⊙) for all masses we consider. This implies that they can fill their Roche lobe anew. We show that the prescriptions commonly used in population synthesis models underestimate the stellar radii by up to two orders of magnitude. We expect that this has consequences for the predictions for gravitational-wave sources from double neutron star mergers, particularly with regard to their metallicity dependence.},
  author       = {Laplace, E. and Götberg, Ylva Louise Linsdotter and de Mink, S. E. and Justham, S. and Farmer, R.},
  issn         = {1432-0746},
  journal      = {Astronomy & Astrophysics},
  keywords     = {Space and Planetary Science, Astronomy and Astrophysics},
  publisher    = {EDP Sciences},
  title        = {{The expansion of stripped-envelope stars: Consequences for supernovae and gravitational-wave progenitors}},
  doi          = {10.1051/0004-6361/201937300},
  volume       = {637},
  year         = {2020},
}

@article{13465,
  abstract     = {Gravitational-wave detections are now probing the black hole (BH) mass distribution, including the predicted pair-instability mass gap. These data require robust quantitative predictions, which are challenging to obtain. The most massive BH progenitors experience episodic mass ejections on time-scales shorter than the convective turnover time-scale. This invalidates the steady-state assumption on which the classic mixing length theory relies. We compare the final BH masses computed with two different versions of the stellar evolutionary code MESA
⁠: (i) using the default implementation of Paxton et al. (2018) and (ii) solving an additional equation accounting for the time-scale for convective deceleration. In the second grid, where stronger convection develops during the pulses and carries part of the energy, we find weaker pulses. This leads to lower amounts of mass being ejected and thus higher final BH masses of up to ∼5M⊙
⁠. The differences are much smaller for the progenitors that determine the maximum mass of BHs below the gap. This prediction is robust at MBH,max≃48M⊙
⁠, at least within the idealized context of this study. This is an encouraging indication that current models are robust enough for comparison with the present-day gravitational-wave detections. However, the large differences between individual models emphasize the importance of improving the treatment of convection in stellar models, especially in the light of the data anticipated from the third generation of gravitational-wave detectors.},
  author       = {Renzo, M and Farmer, R J and Justham, S and de Mink, S E and Götberg, Ylva Louise Linsdotter and Marchant, P},
  issn         = {1365-2966},
  journal      = {Monthly Notices of the Royal Astronomical Society},
  keywords     = {Space and Planetary Science, Astronomy and Astrophysics},
  number       = {3},
  pages        = {4333--4341},
  publisher    = {Oxford University Press},
  title        = {{Sensitivity of the lower edge of the pair-instability black hole mass gap to the treatment of time-dependent convection}},
  doi          = {10.1093/mnras/staa549},
  volume       = {493},
  year         = {2020},
}

@article{13466,
  abstract     = {Context. A majority of massive stars are part of binary systems, a large fraction of which will inevitably interact during their lives. Binary-interaction products (BiPs), that is, stars affected by such interaction, are expected to be commonly present in stellar populations. BiPs are thus a crucial ingredient in the understanding of stellar evolution.
Aims. We aim to identify and characterize a statistically significant sample of BiPs by studying clusters of 10 − 40 Myr, an age at which binary population models predict the abundance of BiPs to be highest. One example of such a cluster is NGC 330 in the Small Magellanic Cloud.
Methods. Using MUSE WFM-AO observations of NGC 330, we resolved the dense cluster core for the first time and were able to extract spectra of its entire massive star population. We developed an automated spectral classification scheme based on the equivalent widths of spectral lines in the red part of the spectrum.
Results. We characterize the massive star content of the core of NGC 330, which contains more than 200 B stars, 2 O stars, 6 A-type supergiants, and 11 red supergiants. We find a lower limit on the Be star fraction of 32 ± 3% in the whole sample. It increases to at least 46 ± 10% when we only consider stars brighter than V = 17 mag. We estimate an age of the cluster core between 35 and 40 Myr and a total cluster mass of 88−18+17 × 103 M⊙.
Conclusions. We find that the population in the cluster core is different than the population in the outskirts: while the stellar content in the core appears to be older than the stars in the outskirts, the Be star fraction and the observed binary fraction are significantly higher. Furthermore, we detect several BiP candidates that will be subject of future studies.},
  author       = {Bodensteiner, J. and Sana, H. and Mahy, L. and Patrick, L. R. and de Koter, A. and de Mink, S. E. and Evans, C. J. and Götberg, Ylva Louise Linsdotter and Langer, N. and Lennon, D. J. and Schneider, F. R. N. and Tramper, F.},
  issn         = {1432-0746},
  journal      = {Astronomy & Astrophysics},
  keywords     = {stars: massive / stars: emission-line / Be / binaries: spectroscopic / blue stragglers / Magellanic Clouds},
  publisher    = {EDP Sciences},
  title        = {{The young massive SMC cluster NGC 330 seen by MUSE}},
  doi          = {10.1051/0004-6361/201936743},
  volume       = {634},
  year         = {2020},
}

@article{13467,
  abstract     = {Massive stars are often found in binary systems, and it has been argued that binary products boost the ionizing radiation of stellar populations. Accurate predictions for binary products are needed to understand and quantify their contribution to cosmic reionization. We investigate the contribution of stars stripped in binaries because (1) they are, arguably, the best-understood products of binary evolution, (2) we recently produced the first radiative transfer calculations for the atmospheres of these stripped stars that predict their ionizing spectra, and (3) they are very promising sources because they boost the ionizing emission of stellar populations at late times. This allows stellar feedback to clear the surroundings such that a higher fraction of their photons can escape and ionize the intergalactic medium. Combining our detailed predictions for the ionizing spectra with a simple cosmic reionization model, we estimate that stripped stars contributed tens of percent of the photons that caused cosmic reionization of hydrogen, depending on the assumed escape fractions. More importantly, stripped stars harden the ionizing emission. We estimate that the spectral index for the ionizing part of the spectrum can increase to −1 compared to ≲ − 2 for single stars. At high redshift, stripped stars and massive single stars combined dominate the He II-ionizing emission, but we expect that active galactic nuclei drive cosmic helium reionization. Further observational consequences we expect are (1) high ionization states for the intergalactic gas surrounding stellar systems, such as C IV and Si IV, and (2) additional heating of the intergalactic medium of up to a few thousand Kelvin. Quantifying these warrants the inclusion of accurate models for stripped stars and other binary products in full cosmological simulations.},
  author       = {Götberg, Ylva Louise Linsdotter and de Mink, S. E. and McQuinn, M. and Zapartas, E. and Groh, J. H. and Norman, C.},
  issn         = {1432-0746},
  journal      = {Astronomy & Astrophysics},
  keywords     = {Space and Planetary Science, Astronomy and Astrophysics},
  publisher    = {EDP Sciences},
  title        = {{Contribution from stars stripped in binaries to cosmic reionization of hydrogen and helium}},
  doi          = {10.1051/0004-6361/201936669},
  volume       = {634},
  year         = {2020},
}

@article{13998,
  abstract     = {The interaction of strong near-infrared (NIR) laser pulses with wide-bandgap dielectrics produces high harmonics in the extreme ultraviolet (XUV) wavelength range. These observations have opened up the possibility of attosecond metrology in solids, which would benefit from a precise measurement of the emission times of individual harmonics with respect to the NIR laser field. Here we show that, when high-harmonics are detected from the input surface of a magnesium oxide crystal, a bichromatic probing of the XUV emission shows a clear synchronization largely consistent with a semiclassical model of electron–hole recollisions in bulk solids. On the other hand, the bichromatic spectrogram of harmonics originating from the exit surface of the 200 μm-thick crystal is strongly modified, indicating the influence of laser field distortions during propagation. Our tracking of sub-cycle electron and hole re-collisions at XUV energies is relevant to the development of solid-state sources of attosecond pulses.},
  author       = {Vampa, Giulio and Lu, Jian and You, Yong Sing and Baykusheva, Denitsa Rangelova and Wu, Mengxi and Liu, Hanzhe and Schafer, Kenneth J and Gaarde, Mette B and Reis, David A and Ghimire, Shambhu},
  issn         = {1361-6455},
  journal      = {Journal of Physics B: Atomic, Molecular and Optical Physics},
  keywords     = {Condensed Matter Physics, Atomic and Molecular Physics, and Optics},
  number       = {14},
  publisher    = {IOP Publishing},
  title        = {{Attosecond synchronization of extreme ultraviolet high harmonics from crystals}},
  doi          = {10.1088/1361-6455/ab8e56},
  volume       = {53},
  year         = {2020},
}

@article{13999,
  abstract     = {Attosecond chronoscopy has revealed small but measurable delays in photoionization, characterized by the ejection of an electron on absorption of a single photon. Ionization-delay measurements in atomic targets provide a wealth of information about the timing of the photoelectric effect, resonances, electron correlations and transport. However, extending this approach to molecules presents challenges, such as identifying the correct ionization channels and the effect of the anisotropic molecular landscape on the measured delays. Here, we measure ionization delays from ethyl iodide around a giant dipole resonance. By using the theoretical value for the iodine atom as a reference, we disentangle the contribution from the functional ethyl group, which is responsible for the characteristic chemical reactivity of a molecule. We find a substantial additional delay caused by the presence of a functional group, which encodes the effect of the molecular potential on the departing electron. Such information is inaccessible to the conventional approach of measuring photoionization cross-sections. The results establish ionization-delay measurements as a valuable tool in investigating the electronic properties of molecules.},
  author       = {Biswas, Shubhadeep and Förg, Benjamin and Ortmann, Lisa and Schötz, Johannes and Schweinberger, Wolfgang and Zimmermann, Tomáš and Pi, Liangwen and Baykusheva, Denitsa Rangelova and Masood, Hafiz A. and Liontos, Ioannis and Kamal, Amgad M. and Kling, Nora G. and Alharbi, Abdullah F. and Alharbi, Meshaal and Azzeer, Abdallah M. and Hartmann, Gregor and Wörner, Hans J. and Landsman, Alexandra S. and Kling, Matthias F.},
  issn         = {1745-2481},
  journal      = {Nature Physics},
  keywords     = {General Physics and Astronomy},
  number       = {7},
  pages        = {778--783},
  publisher    = {Springer Nature},
  title        = {{Probing molecular environment through photoemission delays}},
  doi          = {10.1038/s41567-020-0887-8},
  volume       = {16},
  year         = {2020},
}

@inbook{14000,
  abstract     = {This chapter presents an overview of the state of the art in attosecond time-resolved spectroscopy. The theoretical foundations of strong-field light–matter interaction and attosecond pulse generation are described. The enabling laser technologies are reviewed from chirped-pulse amplification and carrier-envelope-phase stabilization to the generation and characterization of attosecond pulses. The applications of attosecond pulses and pulse trains in electron- or ion-imaging experiments are presented, followed by attosecond electron spectroscopy in larger molecules. After this, high-harmonic spectroscopy and its applications to probing charge migration on attosecond time scales is reviewed. The rapidly evolving field of molecular photoionization delays is discussed. Finally, the applications of attosecond transient absorption to probing molecular dynamics are presented.},
  author       = {Baykusheva, Denitsa Rangelova and Wörner, Hans Jakob},
  booktitle    = {Molecular Spectroscopy and Quantum Dynamics},
  editor       = {Marquardt, Roberto and Quack, Martin},
  isbn         = {9780128172353},
  pages        = {113--161},
  publisher    = {Elsevier},
  title        = {{Attosecond Molecular Dynamics and Spectroscopy}},
  doi          = {10.1016/b978-0-12-817234-6.00009-x},
  year         = {2020},
}

@unpublished{14028,
  abstract     = {The present review addresses the technical advances and the theoretical developments to realize and rationalize attosecond-science experiments that reveal a new dynamical time scale (10−15-10−18 s), with a particular emphasis on molecular systems and the implications of attosecond processes for chemical dynamics. After a brief outline of the theoretical framework for treating non-perturbative phenomena in Section 2, we introduce the physical mechanisms underlying high-harmonic generation and attosecond technology. The relevant technological developments and experimental schemes are covered in Section 3. Throughout the remainder of the chapter, we report on selected applications in molecular attosecond physics, thereby addressing specific phenomena mediated by purely electronic dynamics: charge localization in molecular hydrogen, charge migration in biorelevant molecules, high-harmonic spectroscopy, and delays in molecular photoionization.},
  author       = {Baykusheva, Denitsa Rangelova and Wörner, Hans Jakob},
  pages        = {2002.02111},
  title        = {{Attosecond molecular spectroscopy and dynamics}},
  doi          = {10.48550/arXiv.2002.02111},
  year         = {2020},
}

@unpublished{14095,
  abstract     = {The Habitable Exoplanet Observatory, or HabEx, has been designed to be the Great Observatory of the 2030s. For the first time in human history, technologies have matured sufficiently to enable an affordable space-based telescope mission capable of discovering and characterizing Earthlike planets orbiting nearby bright sunlike stars in order to search for signs of habitability and biosignatures. Such a mission can also be equipped with instrumentation that will enable broad and exciting general astrophysics and planetary science not possible from current or planned facilities. HabEx is a space telescope with unique imaging and multi-object spectroscopic capabilities at wavelengths ranging from ultraviolet (UV) to near-IR. These capabilities allow for a broad suite of compelling science that cuts across the entire NASA astrophysics portfolio. HabEx has three primary science goals: (1) Seek out nearby worlds and explore their habitability; (2) Map out nearby planetary systems and understand the diversity of the worlds they contain; (3) Enable new explorations of astrophysical systems from our own solar system to external galaxies by extending our reach in the UV through near-IR. This Great Observatory science will be selected through a competed GO program, and will account for about 50% of the HabEx primary mission. The preferred HabEx architecture is a 4m, monolithic, off-axis telescope that is diffraction-limited at 0.4 microns and is in an L2 orbit. HabEx employs two starlight suppression systems: a coronagraph and a starshade, each with their own dedicated instrument.},
  author       = {Gaudi, B. Scott and Seager, Sara and Mennesson, Bertrand and Kiessling, Alina and Warfield, Keith and Cahoy, Kerri and Clarke, John T. and Shawn Domagal-Goldman, Shawn Domagal-Goldman and Feinberg, Lee and Guyon, Olivier and Kasdin, Jeremy and Mawet, Dimitri and Plavchan, Peter and Robinson, Tyler and Rogers, Leslie and Scowen, Paul and Somerville, Rachel and Stapelfeldt, Karl and Stark, Christopher and Stern, Daniel and Turnbull, Margaret and Amini, Rashied and Kuan, Gary and Martin, Stefan and Morgan, Rhonda and Redding, David and Stahl, H. Philip and Webb, Ryan and Oscar Alvarez-Salazar, Oscar Alvarez-Salazar and Arnold, William L. and Arya, Manan and Balasubramanian, Bala and Baysinger, Mike and Bell, Ray and Below, Chris and Benson, Jonathan and Blais, Lindsey and Booth, Jeff and Bourgeois, Robert and Bradford, Case and Brewer, Alden and Brooks, Thomas and Cady, Eric and Caldwell, Mary and Calvet, Rob and Carr, Steven and Chan, Derek and Cormarkovic, Velibor and Coste, Keith and Cox, Charlie and Danner, Rolf and Davis, Jacqueline and Dewell, Larry and Dorsett, Lisa and Dunn, Daniel and East, Matthew and Effinger, Michael and Eng, Ron and Freebury, Greg and Garcia, Jay and Gaskin, Jonathan and Greene, Suzan and Hennessy, John and Hilgemann, Evan and Hood, Brad and Holota, Wolfgang and Howe, Scott and Huang, Pei and Hull, Tony and Hunt, Ron and Hurd, Kevin and Johnson, Sandra and Kissil, Andrew and Knight, Brent and Kolenz, Daniel and Kraus, Oliver and Krist, John and Li, Mary and Lisman, Doug and Mandic, Milan and Mann, John and Marchen, Luis and Colleen Marrese-Reading, Colleen Marrese-Reading and McCready, Jonathan and McGown, Jim and Missun, Jessica and Miyaguchi, Andrew and Moore, Bradley and Nemati, Bijan and Nikzad, Shouleh and Nissen, Joel and Novicki, Megan and Perrine, Todd and Pineda, Claudia and Polanco, Otto and Putnam, Dustin and Qureshi, Atif and Richards, Michael and Riggs, A. J. Eldorado and Rodgers, Michael and Rud, Mike and Saini, Navtej and Scalisi, Dan and Scharf, Dan and Schulz, Kevin and Serabyn, Gene and Sigrist, Norbert and Sikkia, Glory and Singleton, Andrew and Shaklan, Stuart and Smith, Scott and Southerd, Bart and Stahl, Mark and Steeves, John and Sturges, Brian and Sullivan, Chris and Tang, Hao and Taras, Neil and Tesch, Jonathan and Therrell, Melissa and Tseng, Howard and Valente, Marty and Buren, David Van and Villalvazo, Juan and Warwick, Steve and Webb, David and Westerhoff, Thomas and Wofford, Rush and Wu, Gordon and Woo, Jahning and Wood, Milana and Ziemer, John and Arney, Giada and Anderson, Jay and Jesús Maíz-Apellániz, Jesús Maíz-Apellániz and Bartlett, James and Belikov, Ruslan and Bendek, Eduardo and Cenko, Brad and Douglas, Ewan and Dulz, Shannon and Evans, Chris and Faramaz, Virginie and Feng, Y. Katherina and Ferguson, Harry and Follette, Kate and Ford, Saavik and García, Miriam and Geha, Marla and Gelino, Dawn and Götberg, Ylva Louise Linsdotter and Hildebrandt, Sergi and Hu, Renyu and Jahnke, Knud and Kennedy, Grant and Kreidberg, Laura and Isella, Andrea and Lopez, Eric and Marchis, Franck and Macri, Lucas and Marley, Mark and Matzko, William and Mazoyer, Johan and McCandliss, Stephan and Meshkat, Tiffany and Mordasini, Christoph and Morris, Patrick and Nielsen, Eric and Newman, Patrick and Petigura, Erik and Postman, Marc and Reines, Amy and Roberge, Aki and Roederer, Ian and Ruane, Garreth and Schwieterman, Edouard and Sirbu, Dan and Spalding, Christopher and Teplitz, Harry and Tumlinson, Jason and Turner, Neal and Werk, Jessica and Wofford, Aida and Wyatt, Mark and Young, Amber and Zellem, Rob},
  booktitle    = {arXiv},
  title        = {{The habitable exoplanet observatory (HabEx) mission concept study final report}},
  doi          = {10.48550/arXiv.2001.06683},
  year         = {2020},
}

@unpublished{14096,
  abstract     = {A binary neutron star merger has been observed in a multi-messenger detection of gravitational wave (GW) and electromagnetic (EM) radiation. Binary neutron stars that merge within a Hubble time, as well as many other compact binaries, are expected to form via common envelope evolution. Yet five decades of research on common envelope evolution have not yet resulted in a satisfactory understanding of the multi-spatial multi-timescale evolution for the systems that lead to compact binaries. In this paper, we report on the first successful simulations of common envelope ejection leading to binary neutron star formation in 3D hydrodynamics. We simulate the dynamical inspiral phase of the interaction between a 12M⊙ red supergiant and a 1.4M⊙ neutron star for different initial separations and initial conditions. For all of our simulations, we find complete envelope ejection and final orbital separations of af≈1.3-5.1R⊙ depending on the simulation and criterion, leading to binary neutron stars that can merge within a Hubble time. We find αCE-equivalent efficiencies of ≈0.1-2.7 depending on the simulation and criterion, but this may be specific for these extended progenitors. We fully resolve the core of the star to ≲0.005R⊙ and our 3D hydrodynamics simulations are informed by an adjusted 1D analytic energy formalism and a 2D kinematics study in order to overcome the prohibitive computational cost of simulating these systems. The framework we develop in this paper can be used to simulate a wide variety of interactions between stars, from stellar mergers to common envelope episodes leading to GW sources.},
  author       = {Jamie A. P. Law-Smith, Jamie A. P. Law-Smith and Everson, Rosa Wallace and Enrico Ramirez-Ruiz, Enrico Ramirez-Ruiz and Mink, Selma E. de and Son, Lieke A. C. van and Götberg, Ylva Louise Linsdotter and Zellmann, Stefan and Alejandro Vigna-Gómez, Alejandro Vigna-Gómez and Renzo, Mathieu and Wu, Samantha and Schrøder, Sophie L. and Foley, Ryan J. and Tenley Hutchinson-Smith, Tenley Hutchinson-Smith},
  booktitle    = {arXiv},
  title        = {{Successful common envelope ejection and binary neutron star formation in 3D hydrodynamics}},
  doi          = {10.48550/arXiv.2011.06630},
  year         = {2020},
}

@article{14125,
  abstract     = {Motivation: Recent technological advances have led to an increase in the production and availability of single-cell data. The ability to integrate a set of multi-technology measurements would allow the identification of biologically or clinically meaningful observations through the unification of the perspectives afforded by each technology. In most cases, however, profiling technologies consume the used cells and thus pairwise correspondences between datasets are lost. Due to the sheer size single-cell datasets can acquire, scalable algorithms that are able to universally match single-cell measurements carried out in one cell to its corresponding sibling in another technology are needed.
Results: We propose Single-Cell data Integration via Matching (SCIM), a scalable approach to recover such correspondences in two or more technologies. SCIM assumes that cells share a common (low-dimensional) underlying structure and that the underlying cell distribution is approximately constant across technologies. It constructs a technology-invariant latent space using an autoencoder framework with an adversarial objective. Multi-modal datasets are integrated by pairing cells across technologies using a bipartite matching scheme that operates on the low-dimensional latent representations. We evaluate SCIM on a simulated cellular branching process and show that the cell-to-cell matches derived by SCIM reflect the same pseudotime on the simulated dataset. Moreover, we apply our method to two real-world scenarios, a melanoma tumor sample and a human bone marrow sample, where we pair cells from a scRNA dataset to their sibling cells in a CyTOF dataset achieving 90% and 78% cell-matching accuracy for each one of the samples, respectively.},
  author       = {Stark, Stefan G and Ficek, Joanna and Locatello, Francesco and Bonilla, Ximena and Chevrier, Stéphane and Singer, Franziska and Aebersold, Rudolf and Al-Quaddoomi, Faisal S and Albinus, Jonas and Alborelli, Ilaria and Andani, Sonali and Attinger, Per-Olof and Bacac, Marina and Baumhoer, Daniel and Beck-Schimmer, Beatrice and Beerenwinkel, Niko and Beisel, Christian and Bernasconi, Lara and Bertolini, Anne and Bodenmiller, Bernd and Bonilla, Ximena and Casanova, Ruben and Chevrier, Stéphane and Chicherova, Natalia and D'Costa, Maya and Danenberg, Esther and Davidson, Natalie and gan, Monica-Andreea Dră and Dummer, Reinhard and Engler, Stefanie and Erkens, Martin and Eschbach, Katja and Esposito, Cinzia and Fedier, André and Ferreira, Pedro and Ficek, Joanna and Frei, Anja L and Frey, Bruno and Goetze, Sandra and Grob, Linda and Gut, Gabriele and Günther, Detlef and Haberecker, Martina and Haeuptle, Pirmin and Heinzelmann-Schwarz, Viola and Herter, Sylvia and Holtackers, Rene and Huesser, Tamara and Irmisch, Anja and Jacob, Francis and Jacobs, Andrea and Jaeger, Tim M and Jahn, Katharina and James, Alva R and Jermann, Philip M and Kahles, André and Kahraman, Abdullah and Koelzer, Viktor H and Kuebler, Werner and Kuipers, Jack and Kunze, Christian P and Kurzeder, Christian and Lehmann, Kjong-Van and Levesque, Mitchell and Lugert, Sebastian and Maass, Gerd and Manz, Markus and Markolin, Philipp and Mena, Julien and Menzel, Ulrike and Metzler, Julian M and Miglino, Nicola and Milani, Emanuela S and Moch, Holger and Muenst, Simone and Murri, Riccardo and Ng, Charlotte KY and Nicolet, Stefan and Nowak, Marta and Pedrioli, Patrick GA and Pelkmans, Lucas and Piscuoglio, Salvatore and Prummer, Michael and Ritter, Mathilde and Rommel, Christian and Rosano-González, María L and Rätsch, Gunnar and Santacroce, Natascha and Castillo, Jacobo Sarabia del and Schlenker, Ramona and Schwalie, Petra C and Schwan, Severin and Schär, Tobias and Senti, Gabriela and Singer, Franziska and Sivapatham, Sujana and Snijder, Berend and Sobottka, Bettina and Sreedharan, Vipin T and Stark, Stefan and Stekhoven, Daniel J and Theocharides, Alexandre PA and Thomas, Tinu M and Tolnay, Markus and Tosevski, Vinko and Toussaint, Nora C and Tuncel, Mustafa A and Tusup, Marina and Drogen, Audrey Van and Vetter, Marcus and Vlajnic, Tatjana and Weber, Sandra and Weber, Walter P and Wegmann, Rebekka and Weller, Michael and Wendt, Fabian and Wey, Norbert and Wicki, Andreas and Wollscheid, Bernd and Yu, Shuqing and Ziegler, Johanna and Zimmermann, Marc and Zoche, Martin and Zuend, Gregor and Rätsch, Gunnar and Lehmann, Kjong-Van},
  issn         = {1367-4811},
  journal      = {Bioinformatics},
  keywords     = {Computational Mathematics, Computational Theory and Mathematics, Computer Science Applications, Molecular Biology, Biochemistry, Statistics and Probability},
  number       = {Supplement_2},
  pages        = {i919--i927},
  publisher    = {Oxford University Press},
  title        = {{SCIM: Universal single-cell matching with unpaired feature sets}},
  doi          = {10.1093/bioinformatics/btaa843},
  volume       = {36},
  year         = {2020},
}

@inproceedings{14186,
  abstract     = {The goal of the unsupervised learning of disentangled representations is to
separate the independent explanatory factors of variation in the data without
access to supervision. In this paper, we summarize the results of Locatello et
al., 2019, and focus on their implications for practitioners. We discuss the
theoretical result showing that the unsupervised learning of disentangled
representations is fundamentally impossible without inductive biases and the
practical challenges it entails. Finally, we comment on our experimental
findings, highlighting the limitations of state-of-the-art approaches and
directions for future research.},
  author       = {Locatello, Francesco and Bauer, Stefan and Lucic, Mario and Rätsch, Gunnar and Gelly, Sylvain and Schölkopf, Bernhard and Bachem, Olivier},
  booktitle    = {The 34th AAAI Conference on Artificial Intelligence},
  isbn         = {9781577358350},
  issn         = {2374-3468},
  location     = {New York, NY, United States},
  number       = {9},
  pages        = {13681--13684},
  publisher    = {Association for the Advancement of Artificial Intelligence},
  title        = {{A commentary on the unsupervised learning of disentangled representations}},
  doi          = {10.1609/aaai.v34i09.7120},
  volume       = {34},
  year         = {2020},
}