bluuebunny/crossref_metadata_2025_split huggingface dataset:
Direct observation of nanoscale dynamics of ferroelectric degradation
Authors: Huang Qianwei , Chen Zibin , Cabral Matthew J. , Wang Feifei , Zhang Shujun , Li Fei , Li Yulan , Ringer Simon P. , Luo Haosu , Mai Yiu-Wing , Liao Xiaozhou 
Published: April 2021

AbstractFailure of polarization reversal, i.e., ferroelectric degradation, induced by cyclic electric loadings in ferroelectric materials, has been a long-standing challenge that negatively impacts the application of ferroelectrics in devices where reliability is critical. It is generally believed that space charges or injected charges dominate the ferroelectric degradation. However, the physics behind the phenomenon remains unclear. Here, using in-situ biasing transmission electron microscopy, we discover change of charge distribution in thin ferroelectrics during cyclic electric loadings. Charge accumulation at domain walls is the main reason of the formation of c domains, which are less responsive to the applied electric field. The rapid growth of the frozen c domains leads to the ferroelectric degradation. This finding gives insights into the nature of ferroelectric degradation in nanodevices, and reveals the role of the injected charges in polarization reversal.
A [6+4]-cycloaddition adduct is the biosynthetic intermediate in streptoseomycin biosynthesis
Authors: Wang Kai Biao , Wang Wen , Zhang Bo , Wang Xin , Chen Yu , Zhu Hong Jie , Liang Yong , Tan Ren Xiang , Ge Hui Ming 
Published: April 2021

AbstractStreptoseomycin (STM,1) is a bacterial macrolactone that has a unique 5/14/10/6/6-pentacyclic ring with an ether bridge. We have previously identified the biosynthetic gene cluster for1and characterized StmD as [6 + 4]- and [4 + 2]-bispericyclase that catalyze a reaction leading to both 6/10/6- and 10/6/6-tricyclic adducts (6and7). The remaining steps, especially how to install and stabilize the required 10/6/6-tricyclic core for downstream modifications, remain unknown. In this work, we have identified three oxidoreductases that fix the required 10/6/6-tryciclic core. A pair of flavin-dependent oxidoreductases, StmO1 and StmO2, catalyze the direct hydroxylation at [6 + 4]-adduct (6). Subsequently, a spontaneous [3,3]-Cope rearrangement and an enol-ketone tautomerization result in the formation of 10/6/6-tricyclic intermediate12b, which can be further converted to a stable 10/6/6-tricyclic alcohol11through a ketoreduction by StmK. Crystal structure of the heterodimeric complex NtfO1-NtfO2, homologues of StmO1-StmO2 with equivalent function, reveals protein-protein interactions. Our results demonstrate that the [6 + 4]-adduct instead of [4 + 2]-adduct is the bona fide biosynthetic intermediate.
Observation of strong excitonic magneto-chiral anisotropy in twisted bilayer van der Waals crystals
Authors: Lan Shoufeng , Liu Xiaoze , Wang Siqi , Zhu Hanyu , Liu Yawen , Gong Cheng , Yang Sui , Shi Jing , Wang Yuan , Zhang Xiang 
Published: April 2021

AbstractThe interplay between chirality and magnetism generates a distinct physical process, the magneto-chiral effect, which enables one to develop functionalities that cannot be achieved solely by any of the two. Such a process is universal with the breaking of parity-inversion and time-reversal symmetry simultaneously. However, the magneto-chiral effect observed so far is weak when the matter responds to photons, electrons, or phonons. Here we report the first observation of strong magneto-chiral response to excitons in a twisted bilayer tungsten disulfide with the amplitude of excitonic magneto-chiral (ExMCh) anisotropy reaches a value of ~4%. We further found the ExMCh anisotropy features with a spectral splitting of ~7 nm, precisely the full-width at half maximum of the excitonic chirality spectrum. Without an externally applied strong magnetic field, the observed ExMCh effect with a spontaneous magnetic moment from the ferromagnetic substrate of thulium iron garnet at room temperature is favorable for device applications. The unique ExMCh processes provide a new pathway to actively control magneto-chiral applications in photochemical reactions, asymmetric synthesis, and drug delivery.
Thermochemical electronegativities of the elements
Authors: Tantardini Christian , Oganov Artem R. 
Published: April 2021

AbstractElectronegativity is a key property of the elements. Being useful in rationalizing stability, structure and properties of molecules and solids, it has shaped much of the thinking in the fields of structural chemistry and solid state chemistry and physics. There are many definitions of electronegativity, which can be roughly classified as either spectroscopic (these are defined for isolated atoms) or thermochemical (characterizing bond energies and heats of formation of compounds). The most widely used is the thermochemical Pauling’s scale, where electronegativities have units of eV1/2. Here we identify drawbacks in the definition of Pauling’s electronegativity scale—and, correcting them, arrive at our thermochemical scale, where electronegativities are dimensionless numbers. Our scale displays intuitively correct trends for the 118 elements and leads to an improved description of chemical bonding (e.g., bond polarity) and thermochemistry.
Update of the global distribution of human gammaherpesvirus 8 genotypes
Authors: Lopes Amanda de Oliveira , Spitz Natália , Reis Christian Robson de Souza , de Paula Vanessa Salete 
Published: April 2021

AbstractHuman gammaherpesvirus 8 (HHV-8) consists of six major clades (A–F) based on the genetic sequence of the open reading frame (ORF)-K1. There are a few conflicting reports regarding the global distribution of the different HHV-8 genotypes. This study aimed to determine the global distribution of the different HHV-8 genotypes based on phylogenetic analysis of the ORF-K1 coding region using sequences published in the GenBank during 1997–2020 and construct a phylogenetic tree using the maximum likelihood algorithm with the GTR + I + G nucleotide substitution model. A total of 550 sequences from 38 countries/origins were analysed in this study. Genotypes A and C had similar global distributions and were prevalent in Africa and Europe. Genotype B was prevalent in Africa. Of the rare genotypes, genotype D was reported in East Asia and Oceania and genotype E in South America, while genotype F was prevalent in Africa. The highest genotypic diversity was reported in the American continent, with Brazil housing five HHV-8 genotypes (A, B, C, E, and F). In this study, we present update of the global distribution of HHV-8 genotypes, providing a basis for future epidemiological and evolutionary studies of HHV-8.
Genome-wide identification and analysis of long non-coding RNAs involved in fatty acid biosynthesis in young soybean pods
Authors: Ma Bohan , Zhang Aijing , Zhao Qiuzhu , Li Zeyuan , Lamboro Abraham , He Haobo , Li Yue , Jiao Suqi , Guan Shuyan , Liu Siyan , Yao Dan , Zhang Jun 
Published: April 2021

AbstractLong non-coding RNAs (lncRNAs) are non-coding RNAs of more than 200 nucleotides. To date, the roles of lncRNAs in soybean fatty acid synthesis have not been fully studied. Here, the low-linolenic acid mutant ‘MT72′ and the wild-type control ‘JN18′ were used as materials. The lncRNAs in young pods at 30 and 40 days (d) after flowering were systematically identified and analyzed using transcriptome sequencing technology combined with bioinformatics tools. A total of 39,324 lncRNAs and 561 differentially expressed lncRNAs were identified. A lncRNAs-miRNAs-protein-coding genes (mRNAs) network was constructed, and 46 lncRNAs, 46 miRNAs and 137 mRNAs were found to be correlated. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis of 12 targeted mRNAs in the competing endogenous RNA network showed that these lncRNAs may be involved in the biological processes of fatty acid transport, lipid synthesis and cell division. Finally, the expression levels of differentially expressed lncRNAs, miRNAs and mRNAs were verified using qRT-PCR. The expression patterns of most genes were consistent with the sequencing results. In conclusion, new information was provided for the study of fatty acid synthesis by lncRNAs in young soybean pods.
An order independent algorithm for inferring gene regulatory network using quantile value for conditional independence tests
Authors: Mahmoodi Sayyed Hadi , Aghdam Rosa , Eslahchi Changiz 
Published: April 2021

AbstractIn recent years, due to the difficulty and inefficiency of experimental methods, numerous computational methods have been introduced for inferring the structure of Gene Regulatory Networks (GRNs). The Path Consistency (PC) algorithm is one of the popular methods to infer the structure of GRNs. However, this group of methods still has limitations and there is a potential for improvements in this field. For example, the PC-based algorithms are still sensitive to the ordering of nodes i.e. different node orders results in different network structures. The second is that the networks inferred by these methods are highly dependent on the threshold used for independence testing. Also, it is still a challenge to select the set of conditional genes in an optimal way, which affects the performance and computation complexity of the PC-based algorithm. We introduce a novel algorithm, namely Order Independent PC-based algorithm using Quantile value (OIPCQ), which improves the accuracy of the learning process of GRNs and solves the order dependency issue. The quantile-based thresholds are considered for different orders of CMI tests. For conditional gene selection, we consider the paths between genes with length equal or greater than 2 while other well-known PC-based methods only consider the paths of length 2. We applied OIPCQ on the various networks of the DREAM3 and DREAM4 in silico challenges. As a real-world case study, we used OIPCQ to reconstruct SOS DNA network obtained from Escherichia coli and GRN for acute myeloid leukemia based on the RNA sequencing data from The Cancer Genome Atlas. The results show that OIPCQ produces the same network structure for all the permutations of the genes and improves the resulted GRN through accurately quantifying the causal regulation strength in comparison with other well-known PC-based methods. According to the GRN constructed by OIPCQ, for acute myeloid leukemia, two regulators BCLAF1 and NRSF reported previously are significantly important. However, the highest degree nodes in this GRN are ZBTB7A and PU1 which play a significant role in cancer, especially in leukemia. OIPCQ is freely accessible at https://github.com/haammim/OIPCQ-and-OIPCQ2.
Synthesis and characterization of Mg–Zn ferrite based flexible microwave composites and its application as SNG metamaterial
Authors: Rahman Md Atiqur , Islam Mohammad Tariqul , Singh Mandeep Singh Jit , Samsuzzaman Md , Chowdhury Muhammad E. H. 
Published: April 2021

AbstractIn this article, we propose SNG (single negative) metamaterial fabricated on Mg–Zn ferrite-based flexible microwave composites. Firstly, the flexible composites are synthesized by the sol-gel method having four different molecular compositions of MgxZn(1−x)Fe2O4, which are denoted as Mg20, Mg40, Mg60, and Mg80. The structural, morphological, and microwave properties of the synthesized flexible composites are analyzed using X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), and conventional dielectric assessment kit (DAK) to justify their possible application as dielectric substrate at microwave frequency regime. Thus the average grain size is found from 20 to 24 nm, and the dielectric constants are 6.01, 5.10, 4.19, and 3.28, as well as loss tangents, are 0.002, 0.004, 0.006, and 0.008 for the prepared Mg–Zn ferrites, i.e., Mg20, Mg40, Mg60, and Mg80 respectively. Besides, the prepared low-cost Mg–Zn ferrite composites exhibit high flexibility and lightweight, which makes them a potential candidate as a metamaterial substrate. Furthermore, a single negative (SNG) metamaterial unit cell is fabricated on the prepared, flexible microwave composites, and their essential electromagnetic behaviors are observed. Very good effective medium ratios (EMR) vales are obtained from 14.65 to 18.47, which ensure the compactness of the fabricated prototypes with a physical dimension of 8 × 6.5 mm2. Also, the proposed materials have shown better performances comparing with conventional FR4 and RO4533 materials, and they have covered S-, C-, X-, Ku-, and K-band of microwave frequency region. Thus, the prepared, flexible SNG metamaterials on MgxZn(1−x)Fe2O4 composites are suitable for microwave and flexible technologies.
Predicting cell-penetrating peptides using machine learning algorithms and navigating in their chemical space
Authors: de Oliveira Ewerton Cristhian Lima , Santana Kauê , Josino Luiz , Lima e Lima Anderson Henrique , de Souza de Sales Júnior Claudomiro 
Published: April 2021

AbstractCell-penetrating peptides (CPPs) are naturally able to cross the lipid bilayer membrane that protects cells. These peptides share common structural and physicochemical properties and show different pharmaceutical applications, among which drug delivery is the most important. Due to their ability to cross the membranes by pulling high-molecular-weight polar molecules, they are termed Trojan horses. In this study, we proposed a machine learning (ML)-based framework named BChemRF-CPPred (beyondchemicalrules-basedframework forCPP prediction) that uses an artificial neural network, a support vector machine, and a Gaussian process classifier to differentiate CPPs from non-CPPs, using structure- and sequence-based descriptors extracted from PDB and FASTA formats. The performance of our algorithm was evaluated by tenfold cross-validation and compared with those of previously reported prediction tools using an independent dataset. The BChemRF-CPPred satisfactorily identified CPP-like structures using natural and synthetic modified peptide libraries and also obtained better performance than those of previously reported ML-based algorithms, reaching the independent test accuracy of 90.66% (AUC = 0.9365) for PDB, and an accuracy of 86.5% (AUC = 0.9216) for FASTA input. Moreover, our analyses of the CPP chemical space demonstrated that these peptides break some molecular rules related to the prediction of permeability of therapeutic molecules in cell membranes. This is the first comprehensive analysis to predict synthetic and natural CPP structures and to evaluate their chemical space using an ML-based framework. Our algorithm is freely available for academic use at http://comptools.linc.ufpa.br/BChemRF-CPPred.
Distinguishing chronic low back pain in young adults with mild to moderate pain and disability using trunk compliance
Authors: Stamenkovic Alexander , Clark Brian C. , Pidcoe Peter E. , van der Veen Susanne M. , France Christopher R. , Russ David W. , Kinser Patricia A. , Thomas James S. 
Published: April 2021

AbstractChronic low back pain (cLBP) rates among younger individuals are rising. Although pain and disability are often less severe, underlying changes in trunk behavior may be responsible for recurrence. We examine the biomarker capacity of a simple Trunk Compliance Index (TCI) to distinguish individuals with and without cLBP. A random subset (n = 49) of the RELIEF RCT were matched to healthy controls for sex, age, height and weight. We measured TCI (as displacement/ weight-normalized perturbation force) using anthropometrically-matched, suddenly-applied pulling perturbations to the trunk segment, randomized across three planes of motion (antero-posterior, medio-lateral, and rotational). Mean differences between cLBP, sex and perturbation direction were assessed with repeated-measures analysis of variance. Discriminatory accuracy of TCI was assessed using Receiver Operator Characteristic (ROC) analysis. Baseline characteristics between groups were equivalent (x̅ [range]): sex (57% female / group), age (23.0 [18–45], 22.8 [18–45]), height, cm (173.0 [156.5–205], 171.3 [121.2–197], weight, kg (71.8 [44.5–116.6], 71.7 [46.8–117.5]) with cLBP associated with significantly lower TCI for 5 of 6 directions (range mean difference, − 5.35: − 1.49, range 95% CI [− 6.46: − 2.18 to − 4.35: − 0.30]. Classification via ROC showed that composite TCI had high discriminatory potential (area under curve [95% CI], 0.90 [0.84–0.96]), driven by TCI from antero-posterior perturbations (area under curve [95% CI], 0.99 [0.97–1.00]). Consistent reductions in TCI suggests global changes in trunk mechanics that may go undetected in classic clinical examination. Evaluation of TCI in younger adults with mild pain and disability may serve as a biomarker for chronicity, leading to improved preventative measures in cLBP.Trial Registration and Funding RELIEF is registered with clinicaltrials.gov (NCT01854892) and funded by the NIH National Center for Complementary & Integrative Health (R01AT006978).
Population structure and genome-wide association studies in bread wheat for phosphorus efficiency traits using 35 K Wheat Breeder’s Affymetrix array
Authors: Soumya Preman R. , Burridge Amanda J. , Singh Nisha , Batra Ritu , Pandey Renu , Kalia Sanjay , Rai Vandana , Edwards Keith J. 
Published: April 2021

AbstractSoil bioavailability of phosphorus (P) is a major concern for crop productivity worldwide. As phosphatic fertilizers are a non-renewable resource associated with economic and environmental issues so, the sustainable option is to develop P use efficient crop varieties. We phenotyped 82 diverse wheat (Triticum aestivumL.) accessions in soil and hydroponics at low and sufficient P. To identify the genic regions for P efficiency traits, the accessions were genotyped using the 35 K-SNP array and genome-wide association study (GWAS) was performed. The high-quality SNPs across the genomes were evenly distributed with polymorphic information content values varying between 0.090 and 0.375. Structure analysis revealed three subpopulations (C1, C2, C3) and the phenotypic responses of these subpopulations were assessed for P efficiency traits. The C2 subpopulation showed the highest genetic variance and heritability values for numerous agronomically important traits as well as strong correlation under both P levels in soil and hydroponics. GWAS revealed 78 marker-trait associations (MTAs) but only 35 MTAs passed Bonferroni Correction. A total of 297 candidate genes were identified for these MTAs and their annotation suggested their involvement in several biological process. Out of 35, nine (9) MTAs were controlling polygenic trait (two controlling four traits, one controlling three traits and six controlling two traits). These multi-trait MTAs (each controlling two or more than two correlated traits) could be utilized for improving bread wheat to tolerate low P stress through marker-assisted selection (MAS).
Dynamic entropy of human blood
Authors: Pietruszka Mariusz A. 
Published: April 2021

AbstractTemperature control is a process that is used by biological systems to maintain a stable internal state for survival. People have an individually variable physiological temperature of about 36.6 °C, which can be modified by many undesirable factors. Based on an analysis of a time series of extracellular ionic fluxes that were obtained using the non-invasive solute-semiconductor interface technique, I show that this extremely specific (critical) temperature is encoded by a local minimum in the dynamic entropy of an isolated drop of human blood. Moreover, a dynamic zeroth-order normal fluid/“superfluid” nonequilibrium phase transition, which was reflected by a spontaneous symmetry breaking that occurred in the phase space, was revealed. The critical scaling of the dynamic measures for the covariates such as the spectral signature and Lyapunov exponent was also determined.
Synesthesia does not help to recover perceptual dominance following flash suppression
Authors: Arias Diana Jimena , Saint-Amour Dave 
Published: April 2021

AbstractGrapheme-colour synesthesia occurs when letters or numbers elicit an abnormal colour sensation (e.g., printed black letters are perceived as coloured). This phenomenon is typically reported following explicit presentation of graphemes. Very few studies have investigated colour sensations in synesthesia in the absence of visual awareness. We took advantage of the dichoptic flash suppression paradigm to temporarily render a stimulus presented to one eye invisible. Synesthetic alphanumeric and non-synesthetic stimuli were presented to 21 participants (11 synesthetes) in achromatic and chromatic experimental conditions. The test stimulus was first displayed to one eye and then masked by a sudden presentation of visual noise in the other eye (flash suppression). The time for an image to be re-perceived following the onset of the suppressive noise was calculated. Trials where there was no flash suppression performed but instead mimicked the perceptual suppression of the flash were also tested. Results showed that target detection by synesthetes was significantly better than by controls in the absence of flash suppression. No difference was found between the groups in the flash suppression condition. Our findings suggest that synesthesia is associated with enhanced perception for overt recognition, but does not provide an advantage in recovering from a perceptual suppression. Further studies are needed to investigate synesthesia in relation to visual awareness.
Evaluation of adding the Erector spinae plane block to standard anesthetic care in patients undergoing posterior lumbar interbody fusion surgery
Authors: van den Broek Renee J. C. , van de Geer Robbin , Schepel Niek C. , Liu Wai-Yan , Bouwman R. Arthur , Versyck Barbara 
Published: April 2021

AbstractPostoperative analgesia in patients undergoing spinal fusion surgery is challenging due to the invasiveness of the surgical procedure and the frequent use of opioids preoperatively by many patients. Recently, the erector spinae plane (ESP) block has been introduced in our clinical practice as part of a multimodal pain strategy after posterior lumbar interbody fusion surgery. This is a retrospective case–control study evaluating the analgesic efficacy of the ESP block when added to our standard analgesic regimen for posterior lumbar interbody fusion surgery. Twenty patients who received an erector spinae plane block were compared with 20 controls. The primary endpoint was postoperative pain, measured by the numeric rating scale. Secondary outcome measures were opioid use, postoperative nausea and vomiting, and length of stay. Postoperative pain scores in the PACU were lower in patients who received an erector spinae plane block (p = 0.041). Opioid consumption during surgery and in the PACU was not significantly different. Need for patient-controlled analgesia postoperatively was significantly lower in the group receiving an ESP block (p = 0.010). Length of stay in hospital was reduced from 3.23 days (IQR 1.1) in the control group to 2.74 days (IQR 1.6) in the study group (p = 0.012). Adding an erector spinae plane block to the analgesic regimen for posterior lumbar interbody fusion surgery seemed to reduce postoperative pain and length of hospital stay.