bluuebunny/crossref_metadata_2025_split huggingface dataset:
Linear-superelastic Ti-Nb nanocomposite alloys with ultralow modulus via high-throughput phase-field design and machine learning
Authors: Zhu Yuquan , Xu Tao , Wei Qinghua , Mai Jiawei , Yang Hongxin , Zhang Huiran , Shimada Takahiro , Kitamura Takayuki , Zhang Tong-Yi 
Published: December 2021

AbstractThe optimal design of shape memory alloys (SMAs) with specific properties is crucial for the innovative application in advanced technologies. Herein, inspired by the recently proposed design concept of concentration modulation, we explore martensitic transformation (MT) in and design the mechanical properties of Ti-Nb nanocomposites by combining high-throughput phase-field simulations and machine learning (ML) approaches. Systematic phase-field simulations generate data of the mechanical properties for various nanocomposites constructed by four macroscopic degrees of freedom. An ML-assisted strategy is adopted to perform multiobjective optimization of the mechanical properties, through which promising nanocomposite configurations are prescreened for the next set of phase-field simulations. The ML-guided simulations discover an optimized nanocomposite, composed of Nb-rich matrix and Nb-lean nanofillers, that exhibits a combination of mechanical properties, including ultralow modulus, linear super-elasticity, and near-hysteresis-free in a loading-unloading cycle. The exceptional mechanical properties in the nanocomposite originate from optimized continuous MT rather than a sharp first-order transition, which is common in typical SMAs. This work demonstrates the great potential of ML-guided phase-field simulations in the design of advanced materials with extraordinary properties.
Modifying the resin type of hybrid anion exchange nanotechnology (HAIX-Nano) to improve its regeneration and phosphate recovery efficiency
Authors: Foster Xavier , Vaneeckhaute Céline 
Published: December 2021

AbstractIn order to avoid eutrophication of freshwater systems, regulations all around the world have become increasingly stringent toward the maximum phosphate concentration allowed in wastewater discharges. Traditional phosphate removal methods such as chemical precipitation and enhanced biological phosphorus removal struggle to lower phosphate levels to the new requirements. Hybrid anion exchange nanotechnology (HAIX-Nano) is composed of a selective adsorption material able to remove phosphate down to levels close to zero. Moreover, HAIX-Nano is not affected by intermittent flow and does not produce sludge making it an interesting alternative. The regeneration process of HAIX-Nano typically requires a chemical solution with a high concentration of sodium hydroxide (NaOH) and sodium chloride (NaCl) (2–5% w/w of each). To lower the environmental impact and the operational cost of the technology, this study aims to enhance the HAIX-Nano regeneration efficiency. Therefore, the backbone of HAIX-Nano, which is normally a strong base anionic (SBA) resin, was changed for a weak base anionic (WBA) resin. The resulting material (WBA-2) exhibited a higher adsorption capacity than the traditional version of HAIX-Nano (SBA-1) under the tested conditions, while also showing a much higher regeneration efficiency. For a desorption solution of only 0.4% NaOH and no NaCl, WBA-2 showed an average regeneration efficiency of 78 ± 1% compared to SBA-1 with 24 ± 1%.
Single-cell delineation of lineage and genetic identity in the mouse brain
Authors: Bandler Rachel C. , Vitali Ilaria , Delgado Ryan N. , Ho May C. , Dvoretskova Elena , Ibarra Molinas Josue S. , Frazel Paul W. , Mohammadkhani Maesoumeh , Machold Robert , Maedler Sophia , Liddelow Shane A. , Nowakowski Tomasz J. , Fishell Gord , Mayer Christian 
Published: December 2021

AbstractDuring neurogenesis, mitotic progenitor cells lining the ventricles of the embryonic mouse brain undergo their final rounds of cell division, giving rise to a wide spectrum of postmitotic neurons and glia1,2. The link between developmental lineage and cell-type diversity remains an open question. Here we used massively parallel tagging of progenitors to track clonal relationships and transcriptomic signatures during mouse forebrain development. We quantified clonal divergence and convergence across all major cell classes postnatally, and found diverse types of GABAergic neuron that share a common lineage. Divergence of GABAergic clones occurred during embryogenesis upon cell-cycle exit, suggesting that differentiation into subtypes is initiated as a lineage-dependent process at the progenitor cell level.
The effect of anion architecture on the lubrication chemistry of phosphonium orthoborate ionic liquids
Authors: Munavirov Bulat , Black Jeffrey J. , Shah Faiz Ullah , Leckner Johan , Rutland Mark W. , Harper Jason B. , Glavatskih Sergei 
Published: December 2021

AbstractPhosphonium ionic liquids with orthoborate anions have been studied in terms of their interfacial film formation, both physisorbed and sacrificial from chemical breakdown, in sheared contacts of varying harshness. The halogen-free anion architecture was varied through (i) the heteronuclear ring size, (ii) the hybridisation of the constituent atoms, and (iii) the addition of aryl functionalities. Time of Flight-Secondary Ion Mass Spectrometry analysis revealed the extent of sacrificial tribofilm formation allowing the relative stability of the ionic liquids under tribological conditions to be determined and their breakdown mechanisms to be compared to simple thermal decomposition. Overall, ionic liquids outperformed reference oils as lubricants; in some cases, sacrificial films were formed (with anion breakdown a necessary precursor to phosphonium cation decomposition) while in other cases, a protective, self-assembly lubricant layer or hybrid film was formed. The salicylate-based anion was the most chemically stable and decomposed only slightly even under the harshest conditions. It was further found that surface topography influenced the degree of breakdown through enhanced material transport and replenishment. This work thus unveils the relationship between ionic liquid composition and structure, and the ensuing inter- and intra-molecular interactions and chemical stability, and demonstrates the intrinsic tuneability of an ionic liquid lubrication technology.
Peptidyl transferase center decompaction and structural constraints during early protein elongation on the ribosome
Authors: Jia Bin , Wang Tianlong , Lehmann Jean 
Published: December 2021

AbstractPeptide bond formation on the ribosome requires that aminoacyl-tRNAs and peptidyl-tRNAs are properly positioned on the A site and the P site of the peptidyl transferase center (PTC) so that nucleophilic attack can occur. Here we analyse some constraints associated with the induced-fit mechanism of the PTC, that promotes this positioning through a compaction around the aminoacyl ester orchestrated by U2506. The physical basis of PTC decompaction, that allows the elongated peptidyl-tRNA to free itself from that state and move to the P site of the PTC, is still unclear. From thermodynamics considerations and an analysis of published ribosome structures, the present work highlights the rational of this mechanism, in which the free-energy released by the new peptide bond is used to kick U2506 away from the reaction center. Furthermore, we show the evidence that decompaction is impaired when the nascent peptide is not yet anchored inside the exit tunnel, which may contribute to explain why the first rounds of elongation are inefficient, an issue that has attracted much interest for about two decades. Results in this field are examined in the light of the present analysis and a physico-chemical correlation in the genetic code, which suggest that elementary constraints associated with the size of the side-chain of the amino acids penalize early elongation events.
Phytoplankton settling quality has a subtle but significant effect on sediment microeukaryotic and bacterial communities
Authors: Albert Séréna , Hedberg Per , Motwani Nisha H. , Sjöling Sara , Winder Monika , Nascimento Francisco J. A. 
Published: December 2021

AbstractIn coastal aphotic sediments, organic matter (OM) input from phytoplankton is the primary food resource for benthic organisms. Current observations from temperate ecosystems like the Baltic Sea report a decline in spring bloom diatoms, while summer cyanobacteria blooms are becoming more frequent and intense. These climate-driven changes in phytoplankton communities may in turn have important consequences for benthic biodiversity and ecosystem functions, but such questions are not yet sufficiently explored experimentally. Here, in a 4-week experiment, we investigated the response of microeukaryotic and bacterial communities to different types of OM inputs comprising five ratios of two common phytoplankton species in the Baltic Sea, the diatom Skeletonema marinoi and filamentous cyanobacterium Nodularia spumigena. Metabarcoding analyses on 16S and 18S ribosomal RNA (rRNA) at the experiment termination revealed subtle but significant changes in diversity and community composition of microeukaryotes in response to settling OM quality. Sediment bacteria were less affected, although we observed a clear effect on denitrification gene expression (nirS and nosZ), which was positively correlated with increasing proportions of cyanobacteria. Altogether, these results suggest that future changes in OM input to the seafloor may have important effects on both the composition and function of microbenthic communities.
The effects of music listening on somatic symptoms and stress markers in the everyday life of women with somatic complaints and depression
Authors: Feneberg Anja C. , Mewes Ricarda , Doerr Johanna M. , Nater Urs M. 
Published: December 2021

AbstractDespite a growing body of literature documenting the health-beneficial effects of music, empirical research on the effects of music listening in individuals with psychosomatic disorders is scarce. Using an ambulatory assessment design, we tested whether music listening predicts changes in somatic symptoms, subjective, and biological stress levels, and examined potential mediating processes, in the everyday life of 58 women (M = 27.7 years) with somatic symptom disorder (SSD) and depressive disorders (DEP). Multilevel models revealed that music listening predicted lower subjective stress ratings (p ≤ 0.02) irrespective of mental health condition, which, in turn, predicted lower somatic symptoms (p ≤ 0.03). Moreover, specific music characteristics modulated somatic symptoms (p = 0.01) and autonomic activity (p = 0.03). These findings suggest that music listening might mitigate somatic symptoms predominantly via a reduction in subjective stress in women with SSD and DEP and further inform the development of targeted music interventions applicable in everyday life.
A new type of non-Hermitian phase transition in open systems far from thermal equilibrium
Authors: Sergeev T. T. , Zyablovsky A. A. , Andrianov E. S. , Pukhov A. A. , Lozovik Yu. E. , Vinogradov A. P. 
Published: December 2021

AbstractWe demonstrate a new type of non-Hermitian phase transition in open systems far from thermal equilibrium, which can have place in the absence of an exceptional point. This transition takes place in coupled systems interacting with reservoirs at different temperatures. We show that the spectrum of energy flow through the system caused by the temperature gradient is determined by the $$\varphi^{4}$$

φ
4

-potential. Meanwhile, the frequency of the maximum in the spectrum plays the role of the order parameter. The phase transition manifests itself in the frequency splitting of the spectrum of energy flow at a critical point, the value of which is determined by the relaxation rates and the coupling strength. Near the critical point, fluctuations of the order parameter diverge according to a power law with the critical exponent that depends only on the ratio of reservoirs temperatures. The phase transition at the critical point has the non-equilibrium nature and leads to the change in the energy flow between the reservoirs. Our results pave the way to manipulate the heat energy transfer in the coupled out-of-equilibrium systems.
Hyaenas and early humans in the latest Early Pleistocene of South-Western Europe
Authors: Linares-Matás Gonzalo J. , Fernández Ruiz Norman , Haber Uriarte María , López Martínez Mariano , Walker Michael J. 
Published: December 2021

AbstractThroughout the Pleistocene, early humans and carnivores frequented caves and large rock-shelters, usually generating bone accumulations. The well-preserved late Early Pleistocene sedimentary sequence at Cueva Negra del Estrecho del Río Quípar (CNERQ) has provided substantial evidence concerning the behavioural and adaptive skills of early humans in Western Europe, such as butchery practices, lithic technology or tending fire, whilst also bearing witness to the bone-altering activities of carnivores. Recent fieldwork has allowed the re-examination of the spatial and taphonomical nature of the macrofaunal assemblage from the upper layers of Complex 2. These layers are somewhat different from most of the underlying sequence, in showing quite a high representation of cranial and post-cranial bones of large mammals, including severalMegaloceroscarthaginiensisantlers. The presence ofCrocutasp. at Cueva Negra represents one of the earliest instances of this genus in Western Eurasia. Identification of several juvenileCrocutasp. remains alongside coprolites and bones with carnivore damage, indicates sporadical hyaenid denning activity. Furthermore, the presence of bones with percussion and cut-marks near to several hammerstones suggests a clear albeit limited anthropogenic input. We interpret the available taphonomical and spatial evidence from these layers as reflecting a multi-patterned palimpsest, likely representing the non-simultaneous and short-lived co-existence of hyaenas, humans, and other small carnivores in the Cueva Negra palaeolandscape during the final phase of sedimentation preserved at the site.
The effectiveness of split tablet dosing versus alternate-day dosing of warfarin: a randomized control trial
Authors: Kaewsaengeak Chanyapat , Pienputtarapong Usanee , Tocharoenchok Teerapong 
Published: December 2021

AbstractDue to large dosage variation, a variety of warfarin prescription regimens are utilized for specific doses such as tablet splitting, or pill strength alternating. The clinical comparison between the two is lacking. We hypothesize that both approaches result in different times in therapeutic range. We randomized patients with specific warfarin dosage and stable INR for 6 months or longer to receive the whole tablet, alternate-day dosing or the split tablet, same daily-dosing regimen without initial dose change and followed them every 6 weeks for 6 months. The primary outcome was a time in therapeutic range of 2.0–3.0. The secondary outcomes included dosage, compliance, INR, anticoagulant-related events. A total of 66 patients were enrolled, 32 randomly assigned to the split tablet regimen (group S) and 34 to the alternate-day regimen (group A) with two withdrawers. The mean age was 58.6 ± 8.5 years. All baseline characteristics of both groups were similar. The average time in therapeutic range was 72.8 ± 25.4% in group S and 74.9 ± 22.0% in group A (p = 0.72). There were no significant differences in warfarin dosage, compliance, INR and, complications between the two groups. Both warfarin prescription methods, the split tablet and the alternate-day had comparable time in the therapeutic range.
Physics-based machine learning for subcellular segmentation in living cells
Authors: Sekh Arif Ahmed , Opstad Ida S. , Godtliebsen Gustav , Birgisdottir Åsa Birna , Ahluwalia Balpreet Singh , Agarwal Krishna , Prasad Dilip K. 
Published: December 2021

AbstractSegmenting subcellular structures in living cells from fluorescence microscope images is a ground truth (GT)-deficient problem. The microscopes’ three-dimensional blurring function, finite optical resolution due to light diffraction, finite pixel resolution and the complex morphological manifestations of the structures all contribute to GT-hardness. Unsupervised segmentation approaches are quite inaccurate. Therefore, manual segmentation relying on heuristics and experience remains the preferred approach. However, this process is tedious, given the countless structures present inside a single cell, and generating analytics across a large population of cells or performing advanced artificial intelligence tasks such as tracking are greatly limited. Here we bring modelling and deep learning to a nexus for solving this GT-hard problem, improving both the accuracy and speed of subcellular segmentation. We introduce a simulation-supervision approach empowered by physics-based GT, which presents two advantages. First, the physics-based GT resolves the GT-hardness. Second, computational modelling of all the relevant physical aspects assists the deep learning models in learning to compensate, to a great extent, for the limitations of physics and the instrument. We show extensive results on the segmentation of small vesicles and mitochondria in diverse and independent living- and fixed-cell datasets. We demonstrate the adaptability of the approach across diverse microscopes through transfer learning, and illustrate biologically relevant applications of automated analytics and motion analysis.
Depth dependence of climatic controls on soil microbial community activity and composition
Authors: Dove Nicholas C , Barnes Morgan E , Moreland Kimber , Graham Robert C , Berhe Asmeret Asefaw , Hart Stephen C 
Published: December 2021

Abstract
Subsoil microbiomes play important roles in soil carbon and nutrient cycling, yet our understanding of the controls on subsoil microbial communities is limited. Here, we investigated the direct (mean annual temperature and precipitation) and indirect (soil chemistry) effects of climate on microbiome composition and extracellular enzyme activity throughout the soil profile across two elevation-bioclimatic gradients in central California, USA. We found that microbiome composition changes and activity decreases with depth. Across these sites, the direct influence of climate on microbiome composition and activity was relatively lower at depth. Furthermore, we found that certain microbial taxa change in relative abundance over large temperature and precipitation gradients only in specific soil horizons, highlighting the depth dependence of the climatic controls on microbiome composition. Our finding that the direct impacts of climate are muted at depth suggests that deep soil microbiomes may lag in their acclimation to new temperatures with a changing climate.
Integrative analysis reveals methylenetetrahydrofolate dehydrogenase 1-like as an independent shared diagnostic and prognostic biomarker in five different human cancers
Authors: Sial Nuzhat , Rehman Jalil Ur , Saeed Saba , Ahmad Mukhtiar , Hameed Yasir , Atif Muhammad , Rehman Abdul , Asif Rizwan , Ahmed Hamad , Hussain Muhammad Safdar , Khan Muhammad Rashid , Ambreen Atifa , Ambreen Ayesha 
Published: December 2021

Abstract
Background: Defects in methylenetetrahydrofolate dehydrogenase 1-like (MTHFD1L) expression have earlier been examined in only a few human cancers. Objectives: Multi-omics profiling of MTHFD1L as a shared biomarker in distinct subtypes of human cancers. Methods: In the current study, for the multi-omics analysis of MTHFD1L in 24 major subtypes of human cancers, a comprehensive in silico approach was adopted to mine different open access online databases including UALCAN, Kaplan–Meier (KM) plotter, LOGpc, GEPIA, Human Protein Atlas (HPA), Gene Expression across Normal and Tumor tissue (GENT2), MEXPRESS, cBioportal, STRING, DAVID, TIMER, and Comparative Toxicogenomics Database (CTD). Results: We noticed that the expression of MTHFD1L was significantly higher in all the analyzed 24 subtypes of human cancers as compared with the normal controls. Moreover, MTHDF1L overexpression was also found to be significantly associated with the reduced overall survival (OS) duration of Bladder urothelial cancer (BLCA), Head and neck cancer (HNSC), Kidney renal papillary cell carcinoma (KIRP), Lung adenocarcinoma (LUAD), and Uterine corpus endometrial carcinoma (UCEC). This implies that MTHFD1L plays a significant role in the development and progression of these cancers. We further noticed that MTHFD1L was also overexpressed in BLCA, HNSC, KIRP, LUAD, and UCEC patients of different clinicopathological features. Pathways enrichment analysis revealed the involvement of MTHFD1L-associated genes in five diverse pathways. We also explored few interesting correlations between MTHFD1L expression and its promoter methylation, genetic alterations, CNVs, and between CD8+ T immune cells level. Conclusion: In conclusion, our results elucidated that MTHFD1L can serve as a shared diagnostic and prognostic biomarker in BLCA, HNSC, KIRP, LUAD, and UCEC patients of different clinicopathological features.
Topological changes in the magnetic field of LQ Hya during an activity minimum
Authors: Lehtinen J. J. , Käpylä M. J. , Hackman T. , Kochukhov O. , Willamo T. , Marsden S. C. , Jeffers S. V. , Henry G. W. , Jetsu L. 
Published: December 2021

Aims. Previous studies have related surface temperature maps, obtained with the Doppler imaging (DI) technique, of LQ Hya with long-term photometry. Here, we compare surface magnetic field maps, obtained with the Zeeman Doppler imaging (ZDI) technique, with contemporaneous photometry, with the aim of quantifying the star’s magnetic cycle characteristics.
Methods. We inverted Stokes IV spectropolarimetry, obtained with the HARPSpol and ESPaDOnS instruments, into magnetic field and surface brightness maps using a tomographic inversion code that models high signal-to-noise ratio mean line profiles produced by the least squares deconvolution (LSD) technique. The maps were compared against long-term ground-based photometry acquired with the T3 0.40 m Automatic Photoelectric Telescope (APT) at Fairborn Observatory, which offers a proxy for the spot cycle of the star, as well as with chromospheric Ca II H&K activity derived from the observed spectra.
Results. The magnetic field and surface brightness maps reveal similar patterns relative to previous DI and ZDI studies: non-axisymmetric polar magnetic field structure, void of fields at mid-latitudes, and a complex structure in the equatorial regions. There is a weak but clear tendency of the polar structures to be linked with a strong radial field and the equatorial ones with the azimuthal field. We find a polarity reversal in the radial field between 2016 and 2017 that is coincident with a spot minimum seen in the long-term photometry, although the precise relation of chromospheric activity to the spot activity remains complex and unclear. The inverted field strengths cannot be easily related with the observed spottedness, but we find that they are partially connected to the retrieved field complexity.
Conclusions. This field topology and the dominance of the poloidal field component, when compared to global magnetoconvection models for rapidly rotating young suns, could be explained by a turbulent dynamo, where differential rotation does not play a major role (so-called 2 or 2 dynamos) and axi- and non-axisymmetric modes are excited simultaneously. The complex equatorial magnetic field structure could arise from the twisted (helical) wreaths often seen in these simulations, while the polar feature would be connected to the mostly poloidal non-axisymmetric component that has a smooth spatial structure.