bluuebunny/crossref_metadata_2025_split huggingface dataset:
Elasticity-based-exfoliability measure for high-throughput computational exfoliation of two-dimensional materials
Authors: Jia Xiangzheng , Shao Qian , Xu Yongchun , Li Ruishan , Huang Kai , Guo Yongzhe , Qu Cangyu , Gao Enlai 
Published: December 2021

AbstractTwo-dimensional (2D) materials are promising candidates for uses in next-generation electronic and optoelectronic devices. However, only a few high-quality 2D materials have been mechanically exfoliated to date. One of the critical issues is that the exfoliability of 2D materials from their bulk precursors is unknown. To assess the exfoliability of potential 2D materials from their bulk counterparts, we derived an elasticity-based-exfoliability measure based on an exfoliation mechanics model. The proposed measure has a clear physical meaning and is universally applicable to all material systems. We used this measure to calculate the exfoliability of 10,812 crystals having a first-principles calculated elastic tensor. By setting the threshold values for easy and potential exfoliation based on already-exfoliated materials, we predicted 58 easily exfoliable bulk crystals and 90 potentially exfoliable bulk crystals for 2D materials. As evidence, a topology-based algorithm indicates that there is no interlayer bonding topology for 93% predicted exfoliable bulk crystals, and the analysis on packing ratios shows that 99% predicted exfoliable bulk crystals exhibit a relatively low packing ratio value. Moreover, literature survey shows that 34 predicted exfoliable bulk crystals have been experimentally exfoliated into 2D materials. In addition, the characteristics of these predicted 2D materials were discussed for practical use of such materials.
Transition metal on topological chiral semimetal PdGa with tailored hydrogen adsorption and reduction
Authors: Yang Qun , Li Guowei , Zhang Yudi , Liu Jian , Rao Jiancun , Heine Thomas , Felser Claudia , Sun Yan 
Published: December 2021

AbstractThe difficulties in designing high-performance hydrogen evolution reaction (HER) catalysts lie in the manipulation of adsorption behaviors of transition metals (TMs). Topological chiral semimetals with super-long Fermi arc surface states provide an ideal platform for engineering the catalytic performance of TMs through the metal-support interaction. We found the adsorption trends of TMs can be modified significantly when deposited at the surface of the PdGa chiral crystal. The electron transfer from the TMs to the surface states of the PdGa reshapes the d band structure of TMs and weakens the hydrogen intermediate bonding. Especially, W/PdGa is expected to be a good HER catalyst with close to zero Gibbs free energy. Experimentally, we found a Pt-like exchange current density and turnover frequency when depositing W atoms at the PdGa nanostructures surface. The findings provide a way to develop high-efficient electrocatalysts by the interplay between topological surface states and metal-support interaction.
Whole exome sequencing identifies deleterious rare variants in CCDC141 in familial self-limited delayed puberty
Authors: Saengkaew Tansit , Ruiz-Babot Gerard , David Alessia , Mancini Alessandra , Mariniello Katia , Cabrera Claudia P. , Barnes Michael R. , Dunkel Leo , Guasti Leonardo , Howard Sasha R. 
Published: December 2021

AbstractDevelopmental abnormalities of the gonadotropin-releasing hormone (GnRH) neuronal network result in a range of conditions from idiopathic hypogonadotropic hypogonadism to self-limited delayed puberty. We aimed to discover important underlying regulators of self-limited delayed puberty through interrogation of GnRH pathways. Whole exome sequencing (WES) data consisting of 193 individuals, from 100 families with self-limited delayed puberty, was analysed using a virtual panel of genes related to GnRH development and function (n = 12). Five rare predicted deleterious variants in Coiled-Coil Domain Containing 141 (CCDC141) were identified in 21 individuals from 6 families (6% of the tested cohort). Homology modeling predicted all five variants to be deleterious. CCDC141 mutant proteins showed atypical subcellular localization associated with abnormal distribution of acetylated tubulin, and expression of mutants resulted in a significantly delayed cell migration, demonstrated in transfected HEK293 cells. These data identify mutations in CCDC141 as a frequent finding in patients with self-limited delayed puberty. The mis-localization of acetylated tubulin and reduced cell migration seen with mutant CCDC141 suggests a role of the CCDC141-microtubule axis in GnRH neuronal migration, with heterozygous defects potentially impacting the timing of puberty.
Thalamic deep brain stimulation modulates cycles of seizure risk in epilepsy
Authors: Gregg Nicholas M. , Sladky Vladimir , Nejedly Petr , Mivalt Filip , Kim Inyong , Balzekas Irena , Sturges Beverly K. , Crowe Chelsea , Patterson Edward E. , Van Gompel Jamie J. , Lundstrom Brian N. , Leyde Kent , Denison Timothy J. , Brinkmann Benjamin H. , Kremen Vaclav , Worrell Gregory A. 
Published: December 2021

AbstractChronic brain recordings suggest that seizure risk is not uniform, but rather varies systematically relative to daily (circadian) and multiday (multidien) cycles. Here, one human and seven dogs with naturally occurring epilepsy had continuous intracranial EEG (median 298 days) using novel implantable sensing and stimulation devices. Two pet dogs and the human subject received concurrent thalamic deep brain stimulation (DBS) over multiple months. All subjects had circadian and multiday cycles in the rate of interictal epileptiform spikes (IES). There was seizure phase locking to circadian and multiday IES cycles in five and seven out of eight subjects, respectively. Thalamic DBS modified circadian (all 3 subjects) and multiday (analysis limited to the human participant) IES cycles. DBS modified seizure clustering and circadian phase locking in the human subject. Multiscale cycles in brain excitability and seizure risk are features of human and canine epilepsy and are modifiable by thalamic DBS.
Finding of the factors affecting the severity of COVID-19 based on mathematical models
Authors: Qu Jiahao , Sumali Brian , Lee Ho , Terai Hideki , Ishii Makoto , Fukunaga Koichi , Mitsukura Yasue , Nishimura Toshihiko 
Published: December 2021

AbstractSince 2019, a large number of people worldwide have been infected with severe acute respiratory syndrome coronavirus 2. Among those infected, a limited number develop severe coronavirus disease 2019 (COVID-19), which generally has an acute onset. The treatment of patients with severe COVID-19 is challenging. To optimize disease prognosis and effectively utilize medical resources, proactive measures must be adopted for patients at risk of developing severe COVID-19. We analyzed the data of COVID-19 patients from seven medical institutions in Tokyo and used mathematical modeling of patient blood test results to quantify and compare the predictive ability of multiple prognostic indicators for the development of severe COVID-19. A machine learning logistic regression model was used to analyze the blood test results of 300 patients. Due to the limited data set, the size of the training group was constantly adjusted to ensure that the results of machine learning were effective (e.g., recognition rate of disease severity > 80%). Lymphocyte count, hemoglobin, and ferritin levels were the best prognostic indicators of severe COVID-19. The mathematical model developed in this study enables prediction and classification of COVID-19 severity.
Intra-urban differentials of fetal mortality in clusters of social vulnerability in São Paulo Municipality, Brazil
Authors: Marques Lays Janaina Prazeres , da Silva Zilda Pereira , Moura Bárbara Laisa Alves , Francisco Rossana Pulcineli Vieira , de Almeida Marcia Furquim 
Published: December 2021

AbstractThis study aimed to analyze the distribution of stillbirths by birth weight, type of death, the trend of Stillbirth Rate (SBR), and avoidable causes of death, according to social vulnerability clusters in São Paulo Municipality, 2007–2017. Social vulnerability clusters were created with the k-means method. The Prais-Winsten generalized linear regression was used in the trend of SBR by < 2500 g,  ≥ 2500 g, and total deaths analysis. The Brazilian list of avoidable causes of death was adapted for stillbirths. There was a predominance of antepartum stillbirths (70%). There was an increase in SBR with the growth of social vulnerability from the center to the outskirts of the city. The cluster with the highest vulnerability presented SBR 69% higher than the cluster with the lowest vulnerability. SBR ≥ 2500 g was decreasing in the clusters with the high vulnerability. There was an increase in SBR of avoidable causes of death of the cluster from the lowest to the highest vulnerability. Ill-defined causes of death accounted for 75% of deaths in the highest vulnerability area. Rates of fetal mortality and avoidable causes of death increased with social vulnerability. The trend of reduction of SBR ≥ 2500 g may suggest improvement in prenatal care in areas of higher vulnerability.
Single cell RNA sequencing reveals ferritin as a key mediator of autoimmune pre-disposition in a mouse model of systemic lupus erythematosus
Authors: Younes Subhi Talal , Showmaker Kurt , Johnson Ashley C. , Garrett Michael R. , Ryan Michael J. 
Published: December 2021

AbstractSystemic lupus erythematosus (SLE) is a devastating autoimmune disorder characterized by failure of self-tolerance with resultant production of autoreactive antibodies. The etiology of this syndrome is complex, involving perturbations in immune cell signaling and development. The NZBWF1 mouse spontaneously develops a lupus-like syndrome and has been widely used as a model of SLE for over 60 years. The NZBWF1 model represents the F1 generation of a cross between New Zealand Black (NZB) and New Zealand White (NZW) mice. In order to better understand the factors that contribute to the development of autoimmunity, single cell RNA sequencing was conducted using the bone marrow from female NZBWF1 mice prior to the development of overt disease. The results were contrasted with single cell RNA sequencing results from the two parental strains. The expected findings of B cell abundance and upregulation, and evidence of interferon signaling were validated in this model. In addition, several novel areas of inquiry were identified. Most notably, the data showed a marked upregulation of the ferritin light chain across all cell types in the NZBWF1 mice compared to parental controls. This data can serve as a gene expression atlas of all hematopoietic cells in the NZBWF1 bone marrow prior to the development of autoimmunity.
Dispersion pattern of Mansonia in the surroundings of the Amazon Jirau Hydroelectric Power Plant
Authors: de Mello Cecilia Ferreira , Alencar Jeronimo 
Published: December 2021

AbstractMansonia spp. are voracious hematophagous mosquitoes whose mature stages usually breed in freshwater bodies containing aquatic vegetation. The reduction in water flow leads to a proliferation in aquatic plants, increasing their populations. Besides, some species are potential vectors of pathogens such as arboviruses and microfilariae. We evaluated the degree of active dispersion of females of Mansonia spp. in the surrounding area of the Jirau hydroelectric power plant in the Amazon, Rondônia, Brazil, using mark-release-recapture techniques. The flight behavior of the recaptured specimens was summarized with a set of average and maximum distances traveled. We show that the dispersal movement of Mansonia spp. is predominantly performed by random, low, and short flights, with a tendency to remain near the breeding sites in certain vegetation fragments. However, the maximum distances traveled were 2000 m from the release point for Mansonia amazonensis during 2018 and Mansonia humeralis during 2019.
Design method of blasthole charge structure based on lithology distribution
Authors: Chen YingXian , Chen Jian , Wang PengFei , Zhou Meng , Yang HongXia , Li JiaYing 
Published: December 2021

AbstractThe density of geological exploration boreholes is one of the main bases for blasthole charge structure design. Due to the low density of geological exploration boreholes, it is impossible to obtain the blast hole rock formations' distribution accurately. With the development and application of intelligent drilling rigs, the lithology distribution data of the blasthole can be accurately obtained, and a blasthole charge structure design method based on the lithology distribution is proposed. The blasthole lithology data collected by the intelligent drilling rig is divided into 7 categories according to the rock hardness, and the adjacent strata with similar lithology are combined and divided into two groups of soft rocks and hard rocks. According to the rock stratum grouping data of the blasthole and the unit explosive consumption of each type of lithology, the explosive amount and charge length required for the soft rock group and the hard rock group can be calculated, respectively. Finally, the blasthole charge structure is designed according to the thickness and charge position of the hard rocks. With the C++ programming language, this method is realized and applied in the Shengli Open-pit Coal Mine of Inner Mongolia Autonomous Region of China. The application results show that, compared with the traditional hole charging structure design method, this method can realize accurate segmented charging of the hole, improve the blasting effect and the degree of rock fragmentation, and reduce the blasting cost.
A cationic surfactant-decorated liquid crystal-based sensor for sensitive detection of quinoline yellow
Authors: Mohseni-Shahri Fatemeh S. , Moeinpour Farid , Verdian Asma 
Published: December 2021

AbstractQuinoline yellow (QY) is one of the popular synthetic food colorants and in food industry greatly used. Developing accurate and simple QY detection procedures is of major considerable importance in ensuring food safety. Hence, it is important to detect this food colorant effectively to reduce risk. Herein, an innovative liquid crystal (LC)-based sensor was designed for the label-free and ultra-sensitive detecting of the QY by means of a cationic surfactant-decorated LC interface. The nematic liquid crystal in touch with CTAB revealed a homeotropic alignment, when QY was injected into the LC-cell, the homeotropic alignment consequently altered to a planar one by electrostatic interactions between QY and CTAB. The designed LC-based sensor detected QY at the too much trace level as low as 0.5 fM with analogous selectivity. The suggested LC-based sensor is a rapid, convenient and simple procedure for label-free detection of QY in food industrial and safety control application.
Experimental classical entanglement in a 16 acoustic qubit-analogue
Authors: Hasan M. Arif , Runge Keith , Deymier Pierre A. 
Published: December 2021

AbstractThe possibility of achieving and controlling scalable classically entangled, i.e., inseparable, multipartite states, would fundamentally challenge the advantages of quantum systems in harnessing the power of complexity in information science. Here, we investigate experimentally the extent of classical entanglement in a $$16$$

16

acoustic qubit-analogue platform. The acoustic qubit-analogue, a.k.a., logical phi-bit, results from the spectral partitioning of the nonlinear acoustic field of externally driven coupled waveguides. Each logical phi-bit is a two-level subsystem characterized by two independently measurable phases. The phi-bits are co-located within the same physical space enabling distance independent interactions. We chose a vector state representation of the $$16$$

16

-phi-bit system which lies in a $${2}^{16}$$

2

16

-dimensional Hilbert space. The calculation of the entropy of entanglement demonstrates the possibility of achieving inseparability of the vector state and of navigating the corresponding Hilbert space. This work suggests a new direction in harnessing the complexity of classical inseparability in information science.
Etazene induces developmental toxicity in vivo Danio rerio and in silico studies of new synthetic opioid derivative
Authors: Kurach Łukasz , Chłopaś-Konowałek Agnieszka , Budzyńska Barbara , Zawadzki Marcin , Szpot Paweł , Boguszewska-Czubara Anna 
Published: December 2021

AbstractSynthetic opioids are gaining more and more popularity among recreational users as well as regular abusers. One of such novel psychoactive substance, is etazene, which is the most popular opioid drug in the darknet market nowadays. Due to limited information available concerning its activity, we aimed to characterize its developmental toxicity, including cardiotoxicity with the use of in vivo Danio rerio and in silico tools. Moreover, we aimed, for the first time, to characterize the metabolite of etazene, which could become a potential marker of its use for future forensic analysis. The results of our study proved severe dose-dependent developmental toxicity of etazene (applied concentrations 10–300 µM), including an increase in mortality, developmental malformations, and serious cardiotoxic effects, as compared with well-known and used opioid—morphine (applied concentrations 1–50 mM). In silico findings indicate the high toxic potential of etazene which may lead to drug-drug interactions and accumulation of substances. Furthermore, phase I metabolite of etazene resulting from N-dealkylation reaction was identified, and therefore it should be considered as a target for toxicological screening. Nonetheless, the exact mechanism of observed effects in response to etazene should be further examined.
Chemokines modulate glycan binding and the immunoregulatory activity of galectins
Authors: Sanjurjo Lucía , Schulkens Iris A. , Touarin Pauline , Heusschen Roy , Aanhane Ed , Castricum Kitty C. M. , De Gruijl Tanja D. , Nilsson Ulf J. , Leffler Hakon , Griffioen Arjan W. , Elantak Latifa , Koenen Rory R. , Thijssen Victor L. J. L. 
Published: December 2021

AbstractGalectins are versatile glycan-binding proteins involved in immunomodulation. Evidence suggests that galectins can control the immunoregulatory function of cytokines and chemokines through direct binding. Here, we report on an inverse mechanism in which chemokines control the immunomodulatory functions of galectins. We show the existence of several specific galectin-chemokine binding pairs, including galectin-1/CXCL4. NMR analyses show that CXCL4 binding induces changes in the galectin-1 carbohydrate binding site. Consequently, CXCL4 alters the glycan-binding affinity and specificity of galectin-1. Regarding immunomodulation, CXCL4 significantly increases the apoptotic activity of galectin-1 on activated CD8+ T cells, while no effect is observed in CD4+ T cells. The opposite is found for another galectin-chemokine pair, i.e., galectin-9/CCL5. This heterodimer significantly reduces the galectin-9 induced apoptosis of CD4+ T cells and not of CD8+ T cells. Collectively, the current study describes an immunomodulatory mechanism in which specific galectin-chemokine interactions control the glycan-binding activity and immunoregulatory function of galectins.
In situ visualization of glycoside hydrolase family 92 genes in marine flavobacteria
Authors: Zeugner Laura E , Krüger Karen , Barrero-Canosa Jimena , Amann Rudolf I , Fuchs Bernhard M 
Published: December 2021

Abstract
Gene clusters rich in carbohydrate-active enzymes within Flavobacteriia genera provide a competitiveness for their hosts to degrade diatom-derived polysaccharides. One such widely distributed polysaccharide is glucuronomannan, a main cell wall component of diatoms. A conserved gene cluster putatively degrading glucuronomannan was found previously among various flavobacterial taxa in marine metagenomes. Here, we aimed to visualize two glycoside hydrolase family 92 genes coding for α-mannosidases with fluorescently-labeled polynucleotide probes using direct-geneFISH. Reliable in situ localization of single-copy genes was achieved with an efficiency up to 74% not only in the flavobacterial strains Polaribacter Hel1_33_49 and Formosa Hel1_33_131 but also in planktonic samples from the North Sea. In combination with high-resolution microscopy, direct-geneFISH gave visual evidence of the contrasting lifestyles of closely related Polaribacter species in those samples and allowed for the determination of gene distribution among attached and free-living cells. We also detected highly similar GH92 genes in yet unidentified taxa by broadening probe specificities, enabling a visualization of the functional trait in subpopulations across the borders of species and genera. Such a quantitative insight into the niche separation of flavobacterial taxa complements our understanding of the ecology of polysaccharide-degrading bacteria beyond omics-based techniques on a single-cell level.
Molecularly imprinted nanocomposites of CsPbBr3 nanocrystals: an approach towards fast and selective gas sensing of explosive taggants
Authors: Aznar-Gadea Eduardo , Sanchez-Alarcon Ivan , Soosaimanickam Ananthakumar , Rodriguez-Canto Pedro J. , Perez-Pla F. , Martínez-Pastor Juan P. , Abargues Rafael 
Published: December 2021

Solid-state luminescent gas sensor based on CsPbBr3 NCs embedded in a molecularly imprinted polymer (MIP) with fast response and high selectivity to nitro compounds.
RNA-binding protein dysfunction in neurodegeneration
Authors: Popper Bastian , Scheidt Tom , Schieweck Rico 
Published: December 2021

Abstract
Protein homeostasis (proteostasis) is a prerequisite for cellular viability and plasticity. In particular, post-mitotic cells such as neurons rely on a tightly regulated safeguard system that allows for regulated protein expression. Previous investigations have identified RNA-binding proteins (RBPs) as crucial regulators of protein expression in nerve cells. However, during neurodegeneration, their ability to control the proteome is progressively disrupted.
In this review, we examine the malfunction of key RBPs such as TAR DNA-binding protein 43 (TDP-43), Fused in Sarcoma (FUS), Staufen, Pumilio and fragile-X mental retardation protein (FMRP). Therefore, we focus on two key aspects of RBP dysfunctions in neurodegeneration: protein aggregation and dysregulation of their target RNAs. Moreover, we discuss how the chaperone system responds to changes in the RBP-controlled transcriptome. Based on recent findings, we propose a two-hit model in which both, harmful RBP deposits and target mRNA mistranslation contribute to neurodegeneration observed in RBPathologies.