bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ultrafast kinetics of the antiferromagnetic-ferromagnetic phase transition in FeRh
Authors: Li G. , Medapalli R. , Mentink J. H. , Mikhaylovskiy R. V. , Blank T. G. H. , Patel S. K. K. , Zvezdin A. K. , Rasing Th. , Fullerton E. E. , Kimel A. V. 
Published: May 2022

AbstractUnderstanding how fast short-range interactions build up long-range order is one of the most intriguing topics in condensed matter physics. FeRh is a test specimen for studying this problem in magnetism, where the microscopic spin-spin exchange interaction is ultimately responsible for either ferro- or antiferromagnetic macroscopic order. Femtosecond laser excitation can induce ferromagnetism in antiferromagnetic FeRh, but the mechanism and dynamics of this transition are topics of intense debates. Employing double-pump THz emission spectroscopy has enabled us to dramatically increase the temporal detection window of THz emission probes of transient states without sacrificing any loss of resolution or sensitivity. It allows us to study the kinetics of emergent ferromagnetism from the femtosecond up to the nanosecond timescales in FeRh/Pt bilayers. Our results strongly suggest a latency period between the initial pump-excitation and the emission of THz radiation by ferromagnetic nuclei.
Stochastic expression of invasion genes in Plasmodium falciparum schizonts
Authors: Tripathi Jaishree , Zhu Lei , Nayak Sourav , Stoklasa Michal , Bozdech Zbynek 
Published: May 2022

AbstractGenetically identical cells are known to exhibit differential phenotypes in the same environmental conditions. These phenotypic variants are linked to transcriptional stochasticity and have been shown to contribute towards adaptive flexibility of a wide range of unicellular organisms. Here, we investigate transcriptional heterogeneity and stochastic gene expression inPlasmodium falciparumby performing the quasilinear multiple annealing and looping based amplification cycles (MALBAC) based amplification and single cell RNA sequencing of blood stage schizonts. Our data reveals significant transcriptional variations in the schizont stage with a distinct group of highly variable invasion gene transcripts being identified. Moreover, the data reflects several diversification processes including putative developmental “checkpoint”; transcriptomically distinct parasite sub-populations and transcriptional switches in variable gene families (var,rifin,phist). Most of these features of transcriptional variability are preserved in isogenic parasite cell populations (albeit with a lesser amplitude) suggesting a role of epigenetic factors in cell-to-cell transcriptional variations in human malaria parasites. Lastly, we apply quantitative RT-PCR and RNA-FISH approach and confirm stochastic expression of key invasion genes, such as,msp1,msp3,msp7, eba181andama1which represent prime candidates for invasion-blocking vaccines.
Trans-crustal structural control of CO2-rich extensional magmatic systems revealed at Mount Erebus Antarctica
Authors: Hill G. J. , Wannamaker P. E. , Maris V. , Stodt J. A. , Kordy M. , Unsworth M. J. , Bedrosian P. A. , Wallin E. L. , Uhlmann D. F. , Ogawa Y. , Kyle P. 
Published: May 2022

AbstractErebus volcano, Antarctica, with its persistent phonolite lava lake, is a classic example of an evolved, CO2-rich rift volcano. Seismic studies provide limited images of the magmatic system. Here we show using magnetotelluric data that a steep, melt-related conduit of low electrical resistivity originating in the upper mantle undergoes pronounced lateral re-orientation in the deep crust before reaching shallower magmatic storage and the summit lava lake. The lateral turn represents a structural fault-valve controlling episodic flow of magma and CO2 vapour, which replenish and heat the high level phonolite differentiation zone. This magmatic valve lies within an inferred, east-west structural trend forming part of an accommodation zone across the southern termination of the Terror Rift, providing a dilatant magma pathway. Unlike H2O-rich subduction arc volcanoes, CO2-dominated Erebus geophysically shows continuous magmatic structure to shallow crustal depths of < 1 km, as the melt does not experience decompression-related volatile supersaturation and viscous stalling.
Towards universal neural network potential for material discovery applicable to arbitrary combination of 45 elements
Authors: Takamoto So , Shinagawa Chikashi , Motoki Daisuke , Nakago Kosuke , Li Wenwen , Kurata Iori , Watanabe Taku , Yayama Yoshihiro , Iriguchi Hiroki , Asano Yusuke , Onodera Tasuku , Ishii Takafumi , Kudo Takao , Ono Hideki , Sawada Ryohto , Ishitani Ryuichiro , Ong Marc , Yamaguchi Taiki , Kataoka Toshiki , Hayashi Akihide , Charoenphakdee Nontawat , Ibuka Takeshi 
Published: May 2022

AbstractComputational material discovery is under intense study owing to its ability to explore the vast space of chemical systems. Neural network potentials (NNPs) have been shown to be particularly effective in conducting atomistic simulations for such purposes. However, existing NNPs are generally designed for narrow target materials, making them unsuitable for broader applications in material discovery. Here we report a development of universal NNP called PreFerred Potential (PFP), which is able to handle any combination of 45 elements. Particular emphasis is placed on the datasets, which include a diverse set of virtual structures used to attain the universality. We demonstrated the applicability of PFP in selected domains: lithium diffusion in LiFeSO4F, molecular adsorption in metal-organic frameworks, an order–disorder transition of Cu-Au alloys, and material discovery for a Fischer–Tropsch catalyst. They showcase the power of PFP, and this technology provides a highly useful tool for material discovery.
Highly heterogeneous epitaxy of flexoelectric BaTiO3-δ membrane on Ge
Authors: Dai Liyan , Zhao Jinyan , Li Jingrui , Chen Bohan , Zhai Shijie , Xue Zhongying , Di Zengfeng , Feng Boyuan , Sun Yanxiao , Luo Yunyun , Ma Ming , Zhang Jie , Ding Sunan , Zhao Libo , Jiang Zhuangde , Luo Wenbo , Quan Yi , Schwarzkopf Jutta , Schroeder Thomas , Ye Zuo-Guang , Xie Ya-Hong , Ren Wei , Niu Gang 
Published: May 2022

AbstractThe integration of complex oxides with a wide spectrum of functionalities on Si, Ge and flexible substrates is highly demanded for functional devices in information technology. We demonstrate the remote epitaxy of BaTiO3 (BTO) on Ge using a graphene intermediate layer, which forms a prototype of highly heterogeneous epitaxial systems. The Ge surface orientation dictates the outcome of remote epitaxy. Single crystalline epitaxial BTO3-δ films were grown on graphene/Ge (011), whereas graphene/Ge (001) led to textured films. The graphene plays an important role in surface passivation. The remote epitaxial deposition of BTO3-δ follows the Volmer-Weber growth mode, with the strain being partially relaxed at the very beginning of the growth. Such BTO3-δ films can be easily exfoliated and transferred to arbitrary substrates like Si and flexible polyimide. The transferred BTO3-δ films possess enhanced flexoelectric properties with a gauge factor of as high as 1127. These results not only expand the understanding of heteroepitaxy, but also open a pathway for the applications of devices based on complex oxides.
Polycomb repressive complex 2 shields naïve human pluripotent cells from trophectoderm differentiation
Authors: Kumar Banushree , Navarro Carmen , Winblad Nerges , Schell John P. , Zhao Cheng , Weltner Jere , Baqué-Vidal Laura , Salazar Mantero Angelo , Petropoulos Sophie , Lanner Fredrik , Elsässer Simon J. 
Published: May 2022

AbstractThe first lineage choice in human embryo development separates trophectoderm from the inner cell mass. Naïve human embryonic stem cells are derived from the inner cell mass and offer possibilities to explore how lineage integrity is maintained. Here, we discover that polycomb repressive complex 2 (PRC2) maintains naïve pluripotency and restricts differentiation to trophectoderm and mesoderm lineages. Through quantitative epigenome profiling, we found that a broad gain of histone H3 lysine 27 trimethylation (H3K27me3) is a distinct feature of naïve pluripotency. We define shared and naïve-specific bivalent promoters featuring PRC2-mediated H3K27me3 concomitant with H3K4me3. Naïve bivalency maintains key trophectoderm and mesoderm transcription factors in a transcriptionally poised state. Inhibition of PRC2 forces naïve human embryonic stem cells into an ‘activated’ state, characterized by co-expression of pluripotency and lineage-specific transcription factors, followed by differentiation into either trophectoderm or mesoderm lineages. In summary, PRC2-mediated repression provides a highly adaptive mechanism to restrict lineage potential during early human development.
Ab initio phasing macromolecular structures using electron-counted MicroED data
Authors: Martynowycz Michael W. , Clabbers Max T. B. , Hattne Johan , Gonen Tamir 
Published: May 2022

AbstractStructures of two globular proteins were determined ab initio using microcrystal electron diffraction (MicroED) data that were collected on a direct electron detector in counting mode. Microcrystals were identified using a scanning electron microscope (SEM) and thinned with a focused ion beam (FIB) to produce crystalline lamellae of ideal thickness. Continuous-rotation data were collected using an ultra-low exposure rate to enable electron counting in diffraction. For the first sample, triclinic lysozyme extending to a resolution of 0.87 Å, an ideal helical fragment of only three alanine residues provided initial phases. These phases were improved using density modification, allowing the entire atomic structure to be built automatically. A similar approach was successful on a second macromolecular sample, proteinase K, which is much larger and diffracted to a resolution of 1.5 Å. These results demonstrate that macromolecules can be determined to sub-ångström resolution by MicroED and that ab initio phasing can be successfully applied to counting data.
Label-free nanofluidic scattering microscopy of size and mass of single diffusing molecules and nanoparticles
Authors: Špačková Barbora , Klein Moberg Henrik , Fritzsche Joachim , Tenghamn Johan , Sjösten Gustaf , Šípová-Jungová Hana , Albinsson David , Lubart Quentin , van Leeuwen Daniel , Westerlund Fredrik , Midtvedt Daniel , Esbjörner Elin K. , Käll Mikael , Volpe Giovanni , Langhammer Christoph 
Published: May 2022

AbstractLabel-free characterization of single biomolecules aims to complement fluorescence microscopy in situations where labeling compromises data interpretation, is technically challenging or even impossible. However, existing methods require the investigated species to bind to a surface to be visible, thereby leaving a large fraction of analytes undetected. Here, we present nanofluidic scattering microscopy (NSM), which overcomes these limitations by enabling label-free, real-time imaging of single biomolecules diffusing inside a nanofluidic channel. NSM facilitates accurate determination of molecular weight from the measured optical contrast and of the hydrodynamic radius from the measured diffusivity, from which information about the conformational state can be inferred. Furthermore, we demonstrate its applicability to the analysis of a complex biofluid, using conditioned cell culture medium containing extracellular vesicles as an example. We foresee the application of NSM to monitor conformational changes, aggregation and interactions of single biomolecules, and to analyze single-cell secretomes.
Human magnetic sense is mediated by a light and magnetic field resonance-dependent mechanism
Authors: Chae Kwon-Seok , Kim Soo-Chan , Kwon Hye-Jin , Kim Yongkuk 
Published: May 2022

AbstractNumerous organisms use the Earth’s magnetic field as a sensory cue for migration, body alignment, or food search. Despite some contradictory reports, yet it is generally accepted that humans do not sense the geomagnetic field. Here, we demonstrate that a magnetic field resonance mechanism mediates light-dependent magnetic orientation in men, using a rotary chair experiment combined with a two-alternative forced choice paradigm. Two groups of subjects were classified with different magnetic orientation tendencies depending on the food context. Magnetic orientation of the subjects was sensitive to the wavelength of incident light and was critically dependent on blue light reaching the eyes. Importantly, it appears that a magnetic field resonance-dependent mechanism mediates these responses, as evidenced by disruption or augmentation of the ability to orient by radiofrequency magnetic fields at the Larmor frequency and the dependence of these effects on the angle between the radiofrequency and geomagnetic fields. Furthermore, inversion of the vertical component of the geomagnetic field revealed a non-canonical inclination compass effect on the magnetic orientation. These results establish the existence of a human magnetic sense and suggest an underlying quantum mechanical magnetoreception mechanism.
Municipal biowaste treatment plants contribute to the contamination of the environment with residues of biodegradable plastics with putative higher persistence potential
Authors: Steiner Thomas , Zhang Yuanhu , Möller Julia N. , Agarwal Seema , Löder Martin G. J. , Greiner Andreas , Laforsch Christian , Freitag Ruth 
Published: May 2022

AbstractBiodegradable plastics (BDP) are expected to mineralize easily, in particular under conditions of technical composting. However, the complexity of the sample matrix has largely prevented degradation studies under realistic conditions. Here composts and fertilizers from state-of-the-art municipal combined anaerobic/aerobic biowaste treatment plants were investigated for residues of BDP. We found BDP fragments > 1 mm in significant numbers in the final composts intended as fertilizer for agriculture and gardening. Compared to pristine compostable bags, the recovered BDP fragments showed differences in their material properties, which potentially renders them less prone to further biodegradation. BDP fragments < 1 mm were extracted in bulk and came up to 0.43 wt% of compost dry weight. Finally, the liquid fertilizer produced during the anaerobic treatment contained several thousand BDP fragments < 500 µm per liter. Hence, our study questions, if currently available BDP are compatible with applications in areas of environmental relevance, such as fertilizer production.
Acidified drinking water attenuates motor deficits and brain pathology in a mouse model of a childhood neurodegenerative disorder
Authors: Kovács Attila D. , Langin Logan M. , Hernandez Jose L. Gonzalez , Pearce David A. 
Published: May 2022

AbstractWe recently demonstrated that HCl-acidified drinking water, which is widely used in laboratory animal facilities, had some beneficial effects in the Cln3−/− mouse model of juvenile Batten disease, a neurodegenerative lysosomal storage disorder1. Here we tested if acidified drinking water has therapeutic effects in Cln1R151X nonsense mutant mice, a model of the infantile form of Batten disease. In Cln1R151X mice, acidified drinking water received from weaning prevented the impairment in pole climbing ability measured at 3 and 6 months of age. Histopathological analysis of the brain at 6 months showed that acidified drinking water decreased the amount of lysosomal storage material, reduced astrocytosis in the striatum and somatosensory barrelfield cortex, and attenuated microglial activation in the thalamus. Compared to wild-type mice, the gut microbiota of Cln1R151X mice was markedly different. Acidified drinking water significantly altered the gut microbiota composition of Cln1R151X mice, indicating a contribution of gut bacteria to the therapeutic effects of acidified water. Our results in Cln1R151X mice suggest that acidified drinking water may have beneficial effects for patients with infantile Batten disease. This study also verifies that acidified drinking water can modify disease phenotypes in mouse models, contributing to the inter-laboratory variations in neurological and pathological findings.
Carotenoid binding in Gloeobacteria rhodopsin provides insights into divergent evolution of xanthorhodopsin types
Authors: Chuon Kimleng , Shim Jin-gon , Kang Kun-Wook , Cho Shin-Gyu , Hour Chenda , Meas Seanghun , Kim Ji-Hyun , Choi Ahreum , Jung Kwang-Hwan 
Published: May 2022

AbstractThe position of carotenoid in xanthorhodopsin has been elucidated. However, a challenging expression of this opsin and a complex biosynthesis carotenoid in the laboratory hold back the insightful study of this rhodopsin. Here, we demonstrated co-expression of the xanthorhodopsin type isolated from Gloeobacter violaceus PCC 7421-Gloeobacter rhodopsin (GR) with a biosynthesized keto-carotenoid (canthaxanthin) targeting the carotenoid binding site. Direct mutation-induced changes in carotenoid-rhodopsin interaction revealed three crucial features: (1) carotenoid locked motif (CLM), (2) carotenoid aligned motif (CAM), and color tuning serines (CTS). Our single mutation results at 178 position (G178W) confirmed inhibition of carotenoid binding; however, the mutants showed better stability and proton pumping, which was also observed in the case of carotenoid binding characteristics. These effects demonstrated an adaptation of microbial rhodopsin that diverges from carotenoid harboring, along with expression in the dinoflagellate Pyrocystis lunula rhodopsin and the evolutionary substitution model. The study highlights a critical position of the carotenoid binding site, which significantly allows another protein engineering approach in the microbial rhodopsin family.
Ultrafast transient infrared spectroscopy for probing trapping states in hybrid perovskite films
Authors: El-Zohry Ahmed M. , Turedi Bekir , Alsalloum Abdullah , Maity Partha , Bakr Osman M. , Ooi Boon S. , Mohammed Omar F. 
Published: May 2022

AbstractStudying the charge dynamics of perovskite materials is a crucial step to understand the outstanding performance of these materials in various fields. Herein, we utilize transient absorption in the mid-infrared region, where solely electron signatures in the conduction bands are monitored without external contributions from other dynamical species. Within the measured range of 4000 nm to 6000 nm (2500–1666 cm−1), the recombination and the trapping processes of the excited carriers could be easily monitored. Moreover, we reveal that within this spectral region the trapping process could be distinguished from recombination process, in which the iodide-based films show more tendencies to trap the excited electrons in comparison to the bromide-based derivatives. The trapping process was assigned due to the emission released in the mid-infrared region, while the traditional band-gap recombination process did not show such process. Various parameters have been tested such as film composition, excitation dependence and the probing wavelength. This study opens new frontiers for the transient mid-infrared absorption to assign the trapping process in perovskite films both qualitatively and quantitatively, along with the potential applications of perovskite films in the mid-IR region.
Field-induced Bose-Einstein condensation and supersolid in the two-dimensional Kondo necklace
Authors: Tu Wei-Lin , Moon Eun-Gook , Lee Kwan-Woo , Pickett Warren E. , Lee Hyun-Yong 
Published: May 2022

AbstractThe application of an external magnetic field of sufficient strength to a spin system composed of a localized singlet can overcome the energy gap and trigger bosonic condensation and so provide an alternative method to realize exotic phases of matter in real materials. Previous research has indicated that a spin Hamiltonian with on-site Kondo coupling may be the effective many-body Hamiltonian for Ba2NiO2(AgSe)2 (BNOAS) and here we study such a Hamiltonian using a tensor network ansatz in two dimensions. Our results unveil a phase diagram which indicates the underlying phases of BNOAS. We propose, in response to the possible doping-induced superconductivity of BNOAS, a fermionic model for further investigation. We hope that our discovery can bring up further interest in both theoretical and experimental researches for related nickelate compounds.
Study of the thermal stability and decomposition behaviour of Lu(NH4)(C2O4)2·2H2O
Authors: Bao Xinjun , Fang Xiekai , Luo Fengxiang , Zhou Rong , He Bin , Zhou Hengshu , Zhou Debi 
Published: May 2022

AbstractLu(NH4)(C2O4)2·2H2O has been successfully fabricated by the improved oxalate precipitation method. Its thermal stability and decomposition behaviour were investigated by using scanning electron microscopy, thermalgravimetric‐differantial scanning calorimetry and in situ high temperature X‐ray diffraction measurements. Despite substantial removal of oxide, carbon, nitrogen, and hydrogen elements, the scanning electron microscopy images clearly revealed that the precursor calcined Lu2O3 products maintained well the morphology properties of the precursor. Moreover, TG‐DSC analysis demonstrated that the peak temperatures of the precursor to Lu2O2CO3 and Lu2O2CO3 to Lu2O3 were 400°C and 630°C, respectively. Finally, and most importantly, the in situ XRD results exhibited that the ‘Lu(NH4)(C2O4)2’, ‘Lu2O2CO3’ and ‘Lu2O3’ crystal structures formed by heating the Lu (NH4) (C2O4)2·H2O at 25∼220°C, 400∼680°C and 680∼980°C, respectively. The experimental results provided an interesting fact that Lu(NH4)(C2O4)2·H2O has been completely decomposed into cubic phase Lu2O3 crystal at 680°C, which is nearly 200°C lower than that of lutetium oxalate tetrahydrate prepared by traditional oxalic acid precipitation process.
Pseudostreamer influence on flux rope evolution
Authors: Sahade A. , Cécere M. , Sieyra M. V. , Krause G. , Cremades H. , Costa A. 
Published: May 2022

Context. A highly important aspect of solar activity is the coupling between eruptions and the surrounding coronal magnetic field topology, which determines the trajectory and morphology of the ejected plasma. Pseudostreamers (PSs) are coronal magnetic structures formed by arcs of twin loops capped by magnetic field lines from coronal holes of the same polarity that meet at a central spine. PSs contain a single magnetic null point in the spine, immediately above the closed field lines, which potentially influences the evolution of nearby flux ropes (FRs).
Aims. Because of the impact of magnetic FR eruptions on space weather, we aim to improve current understanding of the deflection of coronal mass ejections (CMEs). To understand the net effect of PSs on FR eruptions, it is first necessary to study diverse and isolated FR–PS scenarios that are not influenced by other magnetic structures.
Methods. We performed numerical simulations in which a FR structure is in the vicinity of a PS magnetic configuration. The combined magnetic field of the PS and the FR results in the formation of two magnetic null points. We evolve this scenario by numerically solving the magnetohydrodynamic equations in 2.5D. The simulations consider a fully ionised compressible ideal plasma in the presence of a gravitational field and a stratified atmosphere.
Results. We find that the dynamic behaviour of the FR can be categorised into three different classes based on the FR trajectories and whether it is eruptive or confined. Our analysis indicates that the magnetic null points are decisive in the direction and intensity of the FR deflection and their hierarchy depends on the topological arrangement of the scenario. Moreover, the PS lobe acts as a magnetic cage enclosing the FR. We report that the total unsigned magnetic flux of the cage is a key parameter defining whether or not the FR is ejected.