bluuebunny/crossref_metadata_2025_split huggingface dataset:
Regio- and enantioselective remote hydroarylation using a ligand-relay strategy
Authors: He Yuli , Ma Jiawei , Song Huayue , Zhang Yao , Liang Yong , Wang You , Zhu Shaolin 
Published: May 2022

AbstractThe design of a single complicated chiral ligand to well-promote each step of an asymmetric cascade reaction is sometimes a formidable challenge in transition metal catalysis. In this work, a highly regio- and enantioselective Ni-catalysed migratory hydroarylation relay process has been achieved with the combination of two simple ligands, one which accomplishes chain-walking and the other causing asymmetric arylation. This formal asymmetric C(sp3)−H arylation provides direct access to a wide range of structurally diverse chiral 1,1-diarylalkanes, a structural unit found in a number of bioactive molecules. The value of this strategy was further demonstrated by the Ni-catalysed migratory asymmetric 1,3-arylboration.
Epigenetic changes induced by in utero dietary challenge result in phenotypic variability in successive generations of mice
Authors: Van de Pette Mathew , Dimond Andrew , Galvão António M. , Millership Steven J. , To Wilson , Prodani Chiara , McNamara Gráinne , Bruno Ludovica , Sardini Alessandro , Webster Zoe , McGinty James , French Paul M. W. , Uren Anthony G. , Castillo-Fernandez Juan , Watkinson William , Ferguson-Smith Anne C. , Merkenschlager Matthias , John Rosalind M. , Kelsey Gavin , Fisher Amanda G. 
Published: May 2022

AbstractTransmission of epigenetic information between generations occurs in nematodes, flies and plants, mediated by specialised small RNA pathways, modified histones and DNA methylation. Similar processes in mammals can also affect phenotype through intergenerational or trans-generational mechanisms. Here we generate a luciferase knock-in reporter mouse for the imprintedDlk1locus to visualise and track epigenetic fidelity across generations. Exposure to high-fat diet in pregnancy provokes sustained re-expression of the normally silent maternalDlk1in offspring (loss of imprinting) and increased DNA methylation at the somatic differentially methylated region (sDMR). In the next generation heterogeneousDlk1mis-expression is seen exclusively among animals born to F1-exposed females. Oocytes from these females show altered gene and microRNA expression without changes in DNA methylation, and correct imprinting is restored in subsequent generations. Our results illustrate how diet impacts the foetal epigenome, disturbing canonical and non-canonical imprinting mechanisms to modulate the properties of successive generations of offspring.
Freezing and thawing magnetic droplet solitons
Authors: Ahlberg Martina , Chung Sunjae , Jiang Sheng , Frisk Andreas , Khademi Maha , Khymyn Roman , Awad Ahmad A. , Le Q. Tuan , Mazraati Hamid , Mohseni Majid , Weigand Markus , Bykova Iuliia , Groß Felix , Goering Eberhard , Schütz Gisela , Gräfe Joachim , Åkerman Johan 
Published: May 2022

AbstractMagnetic droplets are non-topological magnetodynamical solitons displaying a wide range of complex dynamic phenomena with potential for microwave signal generation. Bubbles, on the other hand, are internally static cylindrical magnetic domains, stabilized by external fields and magnetostatic interactions. In its original theory, the droplet was described as an imminently collapsing bubble stabilized by spin transfer torque and, in its zero-frequency limit, as equivalent to a bubble. Without nanoscale lateral confinement, pinning, or an external applied field, such a nanobubble is unstable, and should collapse. Here, we show that we can freeze dynamic droplets into static nanobubbles by decreasing the magnetic field. While the bubble has virtually the same resistance as the droplet, all signs of low-frequency microwave noise disappear. The transition is fully reversible and the bubble can be thawed back into a droplet if the magnetic field is increased under current. Whereas the droplet collapses without a sustaining current, the bubble is highly stable and remains intact for days without external drive. Electrical measurements are complemented by direct observation using scanning transmission x-ray microscopy, which corroborates the analysis and confirms that the bubble is stabilized by pinning.
Candida albicans evades NK cell elimination via binding of Agglutinin-Like Sequence proteins to the checkpoint receptor TIGIT
Authors: Charpak-Amikam Yoav , Lapidus Tom , Isaacson Batya , Duev-Cohen Alexandra , Levinson Tal , Elbaz Adi , Levi-Schaffer Francesca , Osherov Nir , Bachrach Gilad , Hoyer Lois L. , Korem Maya , Ben-Ami Ronen , Mandelboim Ofer 
Published: May 2022

AbstractCandida albicans is the most common fungal pathogen and a prevalent cause of deadly bloodstream infections. Better understanding of the immune response against it, and the ways by which it evades immunity, are crucial for developing new therapeutics against it. Natural Killer (NK) cells are innate lymphocytes best known for their role against viruses and tumors. In recent years it became clear that NK cells also play an important role in anti-fungal immunity. Here we show that while NK cells recognize and eliminate C. albicans, the fungal cells inhibit NK cells by manipulating the immune checkpoint receptor TIGIT (T cell immunoreceptor with Ig and ITIM domains) in both humans and mice. We identify the responsible fungal ligands as members of the Als (Agglutinin-Like Sequences) protein family. Furthermore, we show that blocking this interaction using immunotherapy with a TIGIT-blocking antibody can re-establish anti-Candida immunity and serve as a potential therapeutic tool.
Fermi surface chirality induced in a TaSe2 monosheet formed by a Ta/Bi2Se3 interface reaction
Authors: Polyakov Andrey , Mohseni Katayoon , Felici Roberto , Tusche Christian , Chen Ying-Jun , Feyer Vitaly , Geck Jochen , Ritschel Tobias , Ernst Arthur , Rubio-Zuazo Juan , Castro German R. , Meyerheim Holger L. , Parkin Stuart S. P. 
Published: May 2022

AbstractSpin-momentum locking in topological insulators and materials with Rashba-type interactions is an extremely attractive feature for novel spintronic devices and is therefore under intense investigation. Significant efforts are underway to identify new material systems with spin-momentum locking, but also to create heterostructures with new spintronic functionalities. In the present study we address both subjects and investigate a van der Waals-type heterostructure consisting of the topological insulator Bi2Se3 and a single Se-Ta-Se triple-layer (TL) of H-type TaSe2 grown by a method which exploits an interface reaction between the adsorbed metal and selenium. We then show, using surface x-ray diffraction, that the symmetry of the TaSe2-like TL is reduced from D3h to C3v resulting from a vertical atomic shift of the tantalum atom. Spin- and momentum-resolved photoemission indicates that, owing to the symmetry lowering, the states at the Fermi surface acquire an in-plane spin component forming a surface contour with a helical Rashba-like spin texture, which is coupled to the Dirac cone of the substrate. Our approach provides a route to realize chiral two-dimensional electron systems via interface engineering in van der Waals epitaxy that do not exist in the corresponding bulk materials.
Triplet-driven chemical reactivity of β-carotene and its biological implications
Authors: Zbyradowski Mateusz , Duda Mariusz , Wisniewska-Becker Anna , Heriyanto  , Rajwa Weronika , Fiedor Joanna , Cvetkovic Dragan , Pilch Mariusz , Fiedor Leszek 
Published: May 2022

AbstractThe endoperoxides of β-carotene (βCar-EPOs) are regarded as main products of the chemical deactivation of1O2by β-carotene, one of the most important antioxidants, following a concerted singlet-singlet reaction. Here we challenge this view by showing that βCar-EPOs are formed in the absence of1O2in a non-concerted triplet-triplet reaction:3O2 + 3β-carotene → βCar-EPOs, in which3β-carotene manifests a strong biradical character. Thus, the reactivity of β-carotene towards oxygen is governed by its excited triplet state. βCar-EPOs, while being stable in the dark, are photochemically labile, and are a rare example of nonaromatic endoperoxides that release1O2, again not in a concerted reaction. Their light-induced breakdown triggers an avalanche of free radicals, which accounts for the pro-oxidant activity of β-carotene and the puzzling swap from its anti- to pro-oxidant features. Furthermore, we show that βCar-EPOs, and carotenoids in general, weakly sensitize1O2. These findings underlie the key role of the triplet state in determining the chemical and photophysical features of β-carotene. They shake up the prevailing models of carotenoid photophysics, the anti-oxidant functioning of β-carotene, and the role of1O2in chemical signaling in biological photosynthetic systems. βCar-EPOs and their degradation products are not markers of1O2and oxidative stress but of the overproduction of extremely hazardous chlorophyll triplets in photosystems. Hence, the chemical signaling of overexcitation of the photosynthetic apparatus is based on a3chlorophyll-3β-carotene relay, rather than on extremely short-lived1O2.
Comparative analysis of COVID-19 vaccine responses and third booster dose-induced neutralizing antibodies against Delta and Omicron variants
Authors: Belik Milja , Jalkanen Pinja , Lundberg Rickard , Reinholm Arttu , Laine Larissa , Väisänen Elina , Skön Marika , Tähtinen Paula A. , Ivaska Lauri , Pakkanen Sari H. , Häkkinen Hanni K. , Ortamo Eeva , Pasternack Arja , Ritvos Mikael A. , Naves Rauno A. , Miettinen Simo , Sironen Tarja , Vapalahti Olli , Ritvos Olli , Österlund Pamela , Kantele Anu , Lempainen Johanna , Kakkola Laura , Kolehmainen Pekka , Julkunen Ilkka 
Published: May 2022

AbstractTwo COVID-19 mRNA (of BNT162b2, mRNA-1273) and two adenovirus vector vaccines (ChAdOx1 and Janssen) are licensed in Europe, but optimization of regime and dosing is still ongoing. Here we show in health care workers (n = 328) that two doses of BNT162b2, mRNA-1273, or a combination of ChAdOx1 adenovirus vector and mRNA vaccines administrated with a long 12-week dose interval induce equally high levels of anti-SARS-CoV-2 spike antibodies and neutralizing antibodies against D614 and Delta variant. By contrast, two doses of BNT162b2 with a short 3-week interval induce 2-3-fold lower titers of neutralizing antibodies than those from the 12-week interval, yet a third BNT162b2 or mRNA-1273 booster dose increases the antibody levels 4-fold compared to the levels after the second dose, as well as induces neutralizing antibody against Omicron BA.1 variant. Our data thus indicates that a third COVID-19 mRNA vaccine may induce cross-protective neutralizing antibodies against multiple variants.
Developmental mRNA m5C landscape and regulatory innovations of massive m5C modification of maternal mRNAs in animals
Authors: Liu Jianheng , Huang Tao , Chen Wanying , Ding Chenhui , Zhao Tianxuan , Zhao Xueni , Cai Bing , Zhang Yusen , Li Song , Zhang Ling , Xue Maoguang , He Xiuju , Ge Wanzhong , Zhou Canquan , Xu Yanwen , Zhang Rui 
Published: May 2022

Abstractm5C is one of the longest-known RNA modifications, however, its developmental dynamics, functions, and evolution in mRNAs remain largely unknown. Here, we generate quantitative mRNA m5C maps at different stages of development in 6 vertebrate and invertebrate species and find convergent and unexpected massive methylation of maternal mRNAs mediated by NSUN2 and NSUN6. Using Drosophila as a model, we reveal that embryos lacking maternal mRNA m5C undergo cell cycle delays and fail to timely initiate maternal-to-zygotic transition, implying the functional importance of maternal mRNA m5C. From invertebrates to the lineage leading to humans, two waves of m5C regulatory innovations are observed: higher animals gain cis-directed NSUN2-mediated m5C sites at the 5' end of the mRNAs, accompanied by the emergence of more structured 5'UTR regions; humans gain thousands of trans-directed NSUN6-mediated m5C sites enriched in genes regulating the mitotic cell cycle. Collectively, our studies highlight the existence and regulatory innovations of a mechanism of early embryonic development and provide key resources for elucidating the role of mRNA m5C in biology and disease.
Rad51-mediated replication of damaged templates relies on monoSUMOylated DDK kinase
Authors: Joseph Chinnu Rose , Dusi Sabrina , Giannattasio Michele , Branzei Dana 
Published: May 2022

AbstractDNA damage tolerance (DDT), activated by replication stress during genome replication, is mediated by translesion synthesis and homologous recombination (HR). Here we uncover that DDK kinase, essential for replication initiation, is critical for replication-associated recombination-mediated DDT. DDK relies on its multi-monoSUMOylation to facilitate HR-mediated DDT and optimal retention of Rad51 recombinase at replication damage sites. Impairment of DDK kinase activity, reduced monoSUMOylation and mutations in the putative SUMO Interacting Motifs (SIMs) of Rad51 impair replication-associated recombination and cause fork uncoupling with accumulation of large single-stranded DNA regions at fork branching points. Notably, genetic activation of salvage recombination rescues the uncoupled fork phenotype but not the recombination-dependent gap-filling defect of DDK mutants, revealing that the salvage recombination pathway operates preferentially proximal to fork junctions at stalled replication forks. Overall, we uncover that monoSUMOylated DDK acts with Rad51 in an axis that prevents replication fork uncoupling and mediates recombination-dependent gap-filling.
The kinetics of static recovery by dislocation climb
Authors: Kohnert Aaron A. , Capolungo Laurent 
Published: May 2022

AbstractThe initial microstructure of a wide range of structural materials is conditioned by thermo-mechanical treatments such as hot-working, tempering, or solution annealing. At the elevated temperatures associated with these treatments the dislocation microstructure evolves, usually decreasing in density through a process known as static recovery. Despite its technological relevance, static recovery is not fully characterized from a theoretical standpoint, with even the controlling mechanisms subject to debate. In this study, a climb-enabled discrete dislocation dynamics (DDD) capability is leveraged to explore the kinetics of static recovery in pure Fe when controlled by dislocation climb. Quantitative data from these simulations is used to develop a revised static recovery law, and provides the parameters appropriate for predictive microstructure models in Fe. This law differs from previous analytical derivations invoking climb of dislocations, following the logarithmic trends typical of experimental observations where prior work did not. Direct comparison between the recovery law derived from DDD to experimental recovery data in alpha Fe shows strong agreement across a range of temperatures, and suggests that climb is the controlling mechanism for static recovery in pure metals.
Accumulation and control of spin waves in magnonic dielectric microresonators by a comb of ultrashort laser pulses
Authors: Khramova A. E. , Kobecki M. , Akimov I. A. , Savochkin I. V. , Kozhaev M. A. , Shaposhnikov A. N. , Berzhansky V. N. , Zvezdin A. K. , Bayer M. , Belotelov V. I. 
Published: May 2022

AbstractSpin waves in magnetic microresonators are at the core of modern magnonics. Here we demonstrate a new method of tunable excitation of different spin wave modes in magnetic microdisks by using a train of laser pulses coming at a repetition rate higher than the decay rate of spin precession. The microdisks are etched in a transparent bismuth iron garnet film and the light pulses influence the spins nonthermally through the inverse Faraday effect. The high repetition rate of the laser stimulus of 10 GHz establishes an interplay between the spin wave resonances in the frequency and momentum domains. As a result, scanning of the focused laser spot near the disk boarder changes interference pattern of the magnons and leads to a resonant dependence of the spin wave amplitude on the external magnetic field. Apart from that, we achieved a switching between volume and surface spin waves by a small variation of the external magnetic field.
Personality and social environment predict cognitive performance in common marmosets (Callithrix jacchus)
Authors: Šlipogor Vedrana , Graf Christina , Massen Jorg J. M. , Bugnyar Thomas 
Published: May 2022

AbstractConsistent inter-individual variation in cognition has been increasingly explored in recent years in terms of its patterns, causes and consequences. One of its possible causes are consistent inter-individual differences in behaviour, also referred to as animal personalities, which are shaped by both the physical and the social environment. The latter is particularly relevant for group-living species like common marmosets (Callithrix jacchus), apt learners that display substantial variation in both their personality and cognitive performance, yet no study to date has interlinked these with marmosets’ social environment. Here we investigated (i) consistency of learning speed, and (ii) whether the PCA-derived personality traits Exploration-Avoidance and Boldness-Shyness as well as the social environment (i.e., family group membership) are linked with marmosets’ speed of learning. We tested 22 individuals in series of personality and learning-focused cognitive tests, including simple motor tasks and discrimination learning tasks. We found that these marmosets showed significant inter-individual consistency in learning across the different tasks, and that females learned faster than males. Further, bolder individuals, and particularly those belonging to certain family groups, learned faster. These findings indicate that both personality and social environment affect learning speed in marmosets and could be important factors driving individual variation in cognition.
Upper airway flow characteristics of childhood obstructive sleep apnea-hypopnea syndrome
Authors: Cai Huikun , Xu Chang , Xue Haoyang , Guo Yufeng , Su Lijun , Gao Xingqiang 
Published: May 2022

AbstractRevealing the structural morphology and inner flow field of the upper airway is important for understanding obstructive sleep apnea-hypopnea syndrome (OSAHS) incidence phenomena and pathological diagnosis in children. However, prior work on this topic has been focused on adults and the findings cannot be directly extrapolated to children because of different inducing factors. Therefore, this paper employs a simulation method to investigate upper airway flow characteristics of childhood OSAHS. It is found that the Reynold number changes highly throughout the whole upper airway, and the laminar assumption is no longer suitable for low Reynold number flow, which is much unlike classic fluid mechanics. Turbulent models of Standard k-ω and Spalart-Allmaras were developed prior to suggestion. The simulation is validated by experiments with an error of approximately 20%. Additionally, carried out in this analysis is the influence of adenoidal hypertrophy with different narrow levels. The cross-sectional area, flow velocity, pressure drop and volume rate will change greatly when the narrow level is above 64% of the upper airway, which can be a quantitative explanation for medical intervention if adenoid hypertrophy blocks 2/3 of the upper airway in the common clinical judgment of otorhinolaryngology. It is expected that this paper can be a meaningful instruction on OSAHS surgery plan making as well as recovery evaluation postoperatively.
A database of calculated solution parameters for the AlphaFold predicted protein structures
Authors: Brookes Emre , Rocco Mattia 
Published: May 2022

AbstractRecent spectacular advances by AI programs in 3D structure predictions from protein sequences have revolutionized the field in terms of accuracy and speed. The resulting “folding frenzy” has already produced predicted protein structure databases for the entire human and other organisms’ proteomes. However, rapidly ascertaining a predicted structure’s reliability based on measured properties in solution should be considered. Shape-sensitive hydrodynamic parameters such as the diffusion and sedimentation coefficients ($${D_{t(20,w)}^{0}}$$

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) and the intrinsic viscosity ([η]) can provide a rapid assessment of the overall structure likeliness, and SAXS would yield the structure-related pair-wise distance distribution function p(r) vs. r. Using the extensively validated UltraScan SOlution MOdeler (US-SOMO) suite, a database was implemented calculating from AlphaFold structures the corresponding $${D_{t(20,w)}^{0}}$$

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, [η], p(r) vs. r, and other parameters. Circular dichroism spectra were computed using the SESCA program. Some of AlphaFold’s drawbacks were mitigated, such as generating whenever possible a protein’s mature form. Others, like the AlphaFold direct applicability to single-chain structures only, the absence of prosthetic groups, or flexibility issues, are discussed. Overall, this implementation of the US-SOMO-AF database should already aid in rapidly evaluating the consistency in solution of a relevant portion of AlphaFold predicted protein structures.
Combining fMRI and DISC1 gene haplotypes to understand working memory-related brain activity in schizophrenia
Authors: Guardiola-Ripoll Maria , Sotero-Moreno Alejandro , Almodóvar-Payá Carmen , Hostalet Noemí , Guerrero-Pedraza Amalia , Ramiro Núria , Ortiz-Gil Jordi , Arias Bárbara , Madre Mercè , Soler-Vidal Joan , Salvador Raymond , McKenna Peter J. , Pomarol-Clotet Edith , Fatjó-Vilas Mar 
Published: May 2022

AbstractThe DISC1 gene is one of the most relevant susceptibility genes for psychosis. However, the complex genetic landscape of this locus, which includes protective and risk variants in interaction, may have hindered consistent conclusions on how DISC1 contributes to schizophrenia (SZ) liability. Analysis from haplotype approaches and brain-based phenotypes can contribute to understanding DISC1 role in the neurobiology of this disorder. We assessed the brain correlates of DISC1 haplotypes associated with SZ through a functional neuroimaging genetics approach. First, we tested the association of two DISC1 haplotypes, the HEP1 (rs6675281-1000731-rs999710) and the HEP3 (rs151229-rs3738401), with the risk for SZ in a sample of 138 healthy subjects (HS) and 238 patients. This approach allowed the identification of three haplotypes associated with SZ (HEP1-CTG, HEP3-GA and HEP3-AA). Second, we explored whether these haplotypes exerted differential effects on n-back associated brain activity in a subsample of 70 HS compared to 70 patients (diagnosis × haplotype interaction effect). These analyses evidenced that HEP3-GA and HEP3-AA modulated working memory functional response conditional to the health/disease status in the cuneus, precuneus, middle cingulate cortex and the ventrolateral and dorsolateral prefrontal cortices. Our results are the first to show a diagnosis-based effect of DISC1 haplotypes on working memory-related brain activity, emphasising its role in SZ.