bluuebunny/crossref_metadata_2025 huggingface dataset:
Parrots do not show inequity aversion
Authors: Krasheninnikova Anastasia , Brucks Désirée , Buffenoir Nina , Rivas Blanco Dániel , Soulet Delphine , von Bayern Auguste
Published: November 2019

Inequity aversion, the negative reaction to unequal treatment, is considered a mechanism for stabilizing cooperative interactions between non-kin group members. However, this might only be adaptive for species that switch cooperative partners. Utilizing a comparative approach, inequity aversion has been assessed in many mammalian species and recently also in corvids and one parrot species, kea, revealing mixed results. To broaden our knowledge about the phylogenetic distribution of inequity aversion, we tested four parrot species in the token exchange paradigm. We varied the quality of rewards delivered to dyads of birds, as well as the effort required to obtain a reward. Blue-headed macaws and African grey parrots showed no reaction to being rewarded unequally. The bigger macaws were less willing to exchange tokens in the “unequal” condition compared to the “equal high” condition in which both birds obtained high quality rewards, but a closer examination of the results and the findings from the control conditions reveal that inequity aversion does not account for it. None of the species responded to inequity in terms of effort. Parrots may not exhibit inequity aversion due to interdependence on their life-long partner and the high costs associated with finding a new partner.
Binding and structural analyses of potent inhibitors of the human Ca2+/calmodulin dependent protein kinase kinase 2 (CAMKK2) identified from a collection of commercially-available kinase inhibitors
Authors: Profeta Gerson S. , dos Reis Caio V. , Santiago André da S. , Godoi Paulo H. C. , Fala Angela M. , Wells Carrow I. , Sartori Roger , Salmazo Anita P. T. , Ramos Priscila Z. , Massirer Katlin B. , Elkins Jonathan M. , Drewry David H. , Gileadi Opher , Couñago Rafael M.
Published: November 2019

Calcium/Calmodulin-dependent Protein Kinase Kinase 2 (CAMKK2) acts as a signaling hub, receiving signals from various regulatory pathways and decoding them via phosphorylation of downstream protein kinases - such as AMPK (AMP-activated protein kinase) and CAMK types I and IV. CAMKK2 relevance is highlighted by its constitutive activity being implicated in several human pathologies. However, at present, there are no selective small-molecule inhibitors available for this protein kinase. Moreover, CAMKK2 and its closest human homolog, CAMKK1, are thought to have overlapping biological roles. Here we present six new co-structures of potent ligands bound to CAMKK2 identified from a library of commercially-available kinase inhibitors. Enzyme assays confirmed that most of these compounds are equipotent inhibitors of both human CAMKKs and isothermal titration calorimetry (ITC) revealed that binding to some of these molecules to CAMKK2 is enthalpy driven. We expect our results to advance current efforts to discover small molecule kinase inhibitors selective to each human CAMKK.
Unified Monogamy Relations of Multipartite Entanglement
Authors: Khan Awais , ur Rehman Junaid , Wang Kehao , Shin Hyundong
Published: November 2019

Unified-(q, s) entanglement $$({{\mathscr{U}}}_{q,s})$$
(

U

q
,
s

)
is a generalized bipartite entanglement measure, which encompasses Tsallis-q entanglement, Rényi-q entanglement, and entanglement of formation as its special cases. We first provide the extended (q; s) region of the generalized analytic formula of  $${{\mathscr{U}}}_{q,s}$$

U

q
,
s

. Then, the monogamy relation based on the squared  $${{\mathscr{U}}}_{q,s}$$

U

q
,
s

for arbitrary multiqubit mixed states is proved. The monogamy relation proved in this paper enables us to construct an entanglement indicator that can be utilized to identify all genuine multiqubit entangled states even the cases where three tangle of concurrence loses its efficiency. It is shown that this monogamy relation also holds true for the generalized W-class state. The αth power $${{\mathscr{U}}}_{q,s}$$

U

q
,
s

based general monogamy and polygamy inequalities are established for tripartite qubit states.
Global distribution of modern shallow-water marine carbonate factories: a spatial model based on environmental parameters
Authors: Laugié Marie , Michel Julien , Pohl Alexandre , Poli Emmanuelle , Borgomano Jean
Published: November 2019

Prediction of carbonate distributions at a global scale through geological time represents a challenging scientific issue, which is critical for carbonate reservoir studies and the understanding of past and future climate changes. Such prediction is even more challenging because no numerical spatial model allows for the prediction of shallow-water marine carbonates in the Modern. This study proposes to fill this gap by providing for the first time a global quantitative model based on the identification of carbonate factories and associated environmental affinities. The relationships among the four carbonate factories, i.e., “biochemical”, “photozoan-T”, “photo-C” and “heterozoan-C” factories, and sea-surface oceanographic parameters (i.e., temperature, salinity and marine primary productivity) is first studied using spatial analysis. The sea-surface temperature seasonality is shown to be the dominant steering parameter discriminating the carbonate factories. Then, spatial analysis is used to calibrate different carbonate factory functions that predict oceanic zones favorable to specific carbonate factories. Our model allows the mapping of the global distribution of modern carbonate factories with an 82% accuracy. This modeling framework represents a powerful tool that can be adapted and coupled to general circulation models to predict the spatial distribution of past and future shallow-water marine carbonates.
New insights on Pseudoalteromonas haloplanktis TAC125 genome organization and benchmarks of genome assembly applications using next and third generation sequencing technologies
Authors: Qi Weihong , Colarusso Andrea , Olombrada Miriam , Parrilli Ermenegilda , Patrignani Andrea , Tutino Maria Luisa , Toll-Riera Macarena
Published: November 2019

Pseudoalteromonas haloplanktisTAC125 is among the most commonly studied bacteria adapted to cold environments. Aside from its ecological relevance,P. haloplanktishas a potential use for biotechnological applications. Due to its importance, we decided to take advantage of next generation sequencing (Illumina) and third generation sequencing (PacBio and Oxford Nanopore) technologies to resequence its genome. The availability of a reference genome, obtained using whole genome shotgun sequencing, allowed us to study and compare the results obtained by the different technologies and draw useful conclusions for futurede novogenome assembly projects. We found that assembly polishing using Illumina reads is needed to achieve a consensus accuracy over 99.9% when using Oxford Nanopore sequencing, but not in PacBio sequencing. However, the dependency of consensus accuracy on coverage is lower in Oxford Nanopore than in PacBio, suggesting that a cost-effective solution might be the use of low coverage Oxford Nanopore sequencing together with Illumina reads. Despite the differences in consensus accuracy, all sequencing technologies revealed the presence of a large plasmid, pMEGA, which was undiscovered until now. Among the most interesting features of pMEGA is the presence of a putative error-prone polymerase regulated through the SOS response. Aside from the characterization of the newly discovered plasmid, we confirmed the sequence of the small plasmid pMtBL and uncovered the presence of a potential partitioning system. Crucially, this study shows that the combination of next and third generation sequencing technologies give us an unprecedented opportunity to characterize our bacterial model organisms at a very detailed level.
Oncogenes, tumor suppressor and differentiation genes represent the oldest human gene classes and evolve concurrently
Authors: Makashov A. A. , Malov S. V. , Kozlov A. P.
Published: November 2019

Earlier we showed that human genome contains many evolutionarily young or novel genes with tumor-specific or tumor-predominant expression. We suggest calling such genes Tumor Specifically Expressed, Evolutionarily New (TSEEN) genes. In this paper we performed a study of the evolutionary ages of different classes of human genes, using homology searches in genomes of different taxa in human lineage. We discovered that different classes of human genes have different evolutionary ages and confirmed the existence of TSEEN gene classes. On the other hand, we found that oncogenes, tumor-suppressor genes and differentiation genes are among the oldest gene classes in humans and their evolution occurs concurrently. These findings confirm non-trivial predictions made by our hypothesis of the possible evolutionary role of hereditary tumors. The results may be important for better understanding of tumor biology. TSEEN genes may become the best tumor markers.
Pioglitazone Modulates the Vascular Contractility in Hypertension by Interference with ET-1 Pathway
Authors: Palacios-Ramírez Roberto , Hernanz Raquel , Martín Angela , Pérez-Girón José V. , Barrús María T. , González-Carnicero Zoe , Aguado Andrea , Jaisser Frederic , Briones Ana M. , Salaices Mercedes , Alonso María J.
Published: November 2019

Endothelin-1 (ET-1) is an important modulator of the vascular tone and a proinflammatory molecule that contributes to the vascular damage observed in hypertension. Peroxisome-proliferator activated receptors-γ (PPARγ) agonists show cardioprotective properties by decreasing inflammatory molecules such as COX-2 and reactive oxygen species (ROS), among others. We investigated the possible modulatory effect of PPARγ activation on the vascular effects of ET-1 in hypertension. In spontaneously hypertensive rats (SHR), but not in normotensive rats, ET-1 enhanced phenylephrine-induced contraction through ETA by a mechanism dependent on activation of TP receptors by COX-2-derived prostacyclin and reduction in NO bioavailability due to enhanced ROS production. In SHR, the PPARγ agonist pioglitazone (2.5 mg/Kg·day, 28 days) reduced the increased ETA levels and increased those of ETB. After pioglitazone treatment of SHR, ET-1 through ETB decreased ROS levels that resulted in increased NO bioavailability and diminished phenylephrine contraction. In vascular smooth muscle cells from SHR, ET-1 increased ROS production through AP-1 and NFκB activation, leading to enhanced COX-2 expression. These effects were blocked by pioglitazone. In summary, in hypertension, pioglitazone shifts the vascular ETA/ETB ratio, reduces ROS/COX-2 activation and increases NO availability; these changes explain the effect of ET-1 decreasing phenylephrine-induced contraction.
Mild chronic perturbation of inhibition severely alters hippocampal function
Authors: Sun Min-Yu , Ziolkowski Luke , Lambert Peter , Shu Hong-Jin , Keiser Micah , Rensing Nicholas , Warikoo Natasha , Martinek Monika , Platnick Carson , Benz Ann , Bracamontes John , Akk Gustav , Steinbach Joe Henry , Zorumski Charles F. , Wong Michael , Mennerick Steven
Published: November 2019

Pentameric GABAA receptors mediate a large share of CNS inhibition. The γ2 subunit is a typical constituent. At least 11 mutations in the γ2 subunit cause human epilepsies, making the role of γ2-containing receptors in brain function of keen basic and translational interest. How small changes to inhibition may cause brain abnormalities, including seizure disorders, is unclear. In mice, we perturbed fast inhibition with a point mutation T272Y (T6′Y in the second membrane-spanning domain) to the γ2 subunit. The mutation imparts resistance to the GABAA receptor antagonist picrotoxin, allowing verification of mutant subunit incorporation. We confirmed picrotoxin resistance and biophysical properties in recombinant receptors. T6′Y γ2-containing receptors also exhibited faster deactivation but unaltered steady-state properties. Adult T6′Y knockin mice exhibited myoclonic seizures and abnormal cortical EEG, including abnormal hippocampal-associated theta oscillations. In hippocampal slices, picrotoxin-insensitive inhibitory synaptic currents exhibited fast decay. Excitatory/inhibitory balance was elevated by an amount expected from the IPSC alteration. Partial pharmacological correction of γ2-mediated IPSCs with diazepam restored total EEG power toward baseline, but had little effect on the abnormal low-frequency peak in the EEG. The results suggest that at least part of the abnormality in brain function arises from the acute effects of truncated inhibition.
FOXH1 Is Regulated by NANOG and LIN28 for Early-stage Reprogramming
Authors: Wang Ling , Su Yue , Huang Chang , Yin Yexuan , Zhu Jiaqi , Knupp Alec , Chu Alexander , Tang Young
Published: November 2019

FOXH1 is a primitive-streak specifier and ACTIVIN co-effector that plays an important role in development, and positively regulates the generation of human induced pluripotent stem cells (iPSCs) from somatic cells by OCT4, SOX2, KLF4, and MYC (OSKM) transduction. However, the mechanism and upstream regulation for FOXH1 expression in reprogramming are unclear. We found FOXH1 expression plays a significant role to enhance epithelial marker and suppress mesenchymal gene expression in OSKM-mediated human cell reprogramming. Furthermore, NANOG and LIN28 (NL) co-stimulate FOXH1 expression, which correlates with the enhanced reprogramming efficiency by NL-factors. FOXH1 expression is also stimulated by a specific inhibitor for H3K79 methyltransferase DOT1L (iDOT1L) but not by inhibition of the canonical WNT signaling. We further show that blocking endogenous FOXH1 expression eliminates the enhanced reprogramming effect by NL and iDOT1L. However, overexpressing FOXH1 in NL plus iDOT1L condition results in significantly reduced TRA-1-60 positively expressed cells and decreases pluripotent marker expression in reprogramming. Our study elucidated an essential role for properly stimulated FOXH1 expression by NANOG, LIN28, and H3K79 demethylation for dramatic enhancement of reprograming.
Variability Assessment for Root and Drought Tolerance Traits and Genetic Diversity Analysis of Rice Germplasm using SSR Markers
Authors: Verma H. , Borah J. L. , Sarma R. N.
Published: November 2019

The studies on genetic variation, diversity and population structure of rice germplasm of North East India could be an important step for improvements of abiotic and biotic stress tolerance in rice. Genetic diversity and genetic relatedness among 114 rice genotypes of North East India were assessed using genotypic data of 65 SSR markers and phenotypic data. The phenotypic diversity analysis showed the considerable variation across genotypes for root, shoot and drought tolerance traits. The principal component analysis (PCA) revealed the fresh shoot weight, root volume, dry shoot weight, fresh root weight and drought score as a major contributor to diversity. Genotyping of 114 rice genotypes using 65 SSR markers detected 147 alleles with the average polymorphic information content (PIC) value of 0.51. Population structure analysis using the Bayesian clustering model approach, distance-based neighbor-joining cluster and principal coordinate analysis using genotypic data grouped the accession into three sub-populations. Population structure analysis revealed that rice accession was moderately structured based on FST value estimates. Analysis of molecular variance (AMOVA) and pairwise FST values showed significant differentiation among all the pairs of sub-population ranging from 0.152 to 0.222 suggesting that all the three subpopulations were significantly different from each other. AMOVA revealed that most of the variation in rice accession mainly occurred among individuals. The present study suggests that diverse germplasm of NE India could be used for the improvement of root and drought tolerance in rice breeding programmes.
DNA sequence differences are determinants of meiotic recombination outcome
Authors: Brown Simon D. , Mpaulo Samantha J. , Asogwa Mimi N. , Jézéquel Marie , Whitby Matthew C. , Lorenz Alexander
Published: November 2019

Meiotic recombination is essential for producing healthy gametes, and also generates genetic diversity. DNA double-strand break (DSB) formation is the initiating step of meiotic recombination, producing, among other outcomes, crossovers between homologous chromosomes (homologs), which provide physical links to guide accurate chromosome segregation. The parameters influencing DSB position and repair are thus crucial determinants of reproductive success and genetic diversity. Using Schizosaccharomyces pombe, we show that the distance between sequence polymorphisms across homologs has a strong impact on meiotic recombination rate. The closer the sequence polymorphisms are to each other across the homologs the fewer recombination events were observed. In the immediate vicinity of DSBs, sequence polymorphisms affect the frequency of intragenic recombination events (gene conversions). Additionally, and unexpectedly, the crossover rate of flanking markers tens of kilobases away from the sequence polymorphisms was affected by their relative position to each other amongst the progeny having undergone intragenic recombination. A major regulator of this distance-dependent effect is the MutSα-MutLα complex consisting of Msh2, Msh6, Mlh1, and Pms1. Additionally, the DNA helicases Rqh1 and Fml1 shape recombination frequency, although the effects seen here are largely independent of the relative position of the sequence polymorphisms.
Surrogates for myocardial power and power efficiency in patients with aortic valve disease
Authors: Lee Chong-Bin , Goubergrits Leonid , Fernandes Joao Filipe , Nordmeyer Sarah , Knosalla Christoph , Berger Felix , Falk Volkmar , Kuehne Titus , Kelm Marcus
Published: November 2019

We aimed to assess surrogate markers for left ventricular (LV) myocardial power and efficiency in patients with isolated aortic stenosis (AS) and combined stenosis/regurgitation (AS/AR). In AS (n = 59), AS/AR (n = 21) and controls (n = 14), surrogates for LV myocardial power and circulatory/external myocardial efficiency were obtained from cardiac MRI. Median surrogate LV myocardial power was increased in AS, 7.7 W/m2 (interquartile range 6.0–10.2; p = 0.010) and AS/AR, 10.8 W/m2 (8.9–13.4; p < 0.001) when compared to controls, 5.4 W/m2 (4.2–6.5), and was lower in AS than AS/AR (p < 0.001). Surrogate circulatory efficiency was decreased in AS, 8.6% (6.8–11.1; p < 0.001) and AS/AR, 5.4% (4.1–6.2; p < 0.001) when compared to controls, 11.8% (9.8–16.9). Surrogate external myocardial efficiency was higher in AS, 15.2% (11.9–18.6) than in AS/AR, 12.2% (10.1–14.2; p = 0.031) and was significantly lower compared to controls, 12.2% (10.7–18.1) in patients with reduced ejection fraction (EF), 9.8% (8.1–11.7; p = 0.025). In 16% of all cases, left ventricular mass/volume indices and EF were within normal ranges, wheras surrogate LV myocardial power was elevated and patients were symptomatic. Although influenced by pressure/volume load, the myocardium is additionally affected by remodelling processes. Surrogates for circulatory efficiency and LV myocardial power gradually reflect alterations in patients with AS and AS/AR, even when surrogate external myocardial efficiency, EF, mass and volume indices still remain compensated.
Identification and characterization of circular RNAs in Ganoderma lucidum
Authors: Shao Junjie , Wang Liqiang , Liu Xinyue , Yang Meng , Chen Haimei , Wu Bin , Liu Chang
Published: November 2019

Circular RNAs (circRNAs) play important roles in animals, plants, and fungi. However, no circRNAs have been reported in Ganoderma lucidum. Here, we carried out a genome-wide identification of the circRNAs in G.lucidum using RNA-Seq data, and analyzed their features. In total, 250 and 2193 circRNAs were identified from strand-specific RNA-seq data generated from the polyA(−) and polyA(−)/RNase R-treated libraries, respectively. Six of 131 (4.58%) predicted circRNAs were experimentally confirmed. Across three developmental stages, 731 exonic circRNAs (back spliced read counts ≥ 5) and their parent genes were further analyzed. CircRNAs were preferred originating from exons with flanking introns, and the lengths of the flanking intron were longer than those of the control introns. A total of 200 circRNAs were differentially expressed across the three developmental stages of G. lucidum. The expression profiles of 119 (16.3%) exonic circRNAs and their parent genes showed significant positive correlations (r ≥ 0.9, q < 0.01), whereas 226 (30.9%) exonic circRNAs and their parent genes exhibited significant negative correlations (r ≤ −0.9, q < 0.01), in which 53 parent genes are potentially involved in the transcriptional regulation, polysaccharide biosynthesis etc. Our results indicated that circRNAs are present in G. lucidum, with potentially important regulatory roles.
Real-time hyperpolarized 13C magnetic resonance detects increased pyruvate oxidation in pyruvate dehydrogenase kinase 2/4–double knockout mouse livers
Authors: Sharma Gaurav , Wu Cheng-Yang , Wynn R. Max , Gui Wenjun , Malloy Craig R. , Sherry A. Dean , Chuang David T. , Khemtong Chalermchai
Published: November 2019

The pyruvate dehydrogenase complex (PDH) critically regulates carbohydrate metabolism. Phosphorylation of PDH by one of the pyruvate dehydrogenase kinases 1–4 (PDK1–4) decreases the flux of carbohydrates into the TCA cycle. Inhibition of PDKs increases oxidative metabolism of carbohydrates, so targeting PDKs has emerged as an important therapeutic approach to manage various metabolic diseases. Therefore, it is highly desirable to begin to establish imaging tools for noninvasive measurements of PDH flux in rodent models. In this study, we used hyperpolarized (HP) 13C-magnetic resonance spectroscopy to study the impact of a PDK2/PDK4 double knockout (DKO) on pyruvate metabolism in perfused livers from lean and diet-induced obese (DIO) mice and validated the HP observations with high-resolution 13C-nuclear magnetic resonance (NMR) spectroscopy of tissue extracts and steady-state isotopomer analyses. We observed that PDK-deficient livers produce more HP-bicarbonate from HP-[1-13C]pyruvate than age-matched control livers. A steady-state 13C-NMR isotopomer analysis of tissue extracts confirmed that flux rates through PDH, as well as pyruvate carboxylase and pyruvate cycling activities, are significantly higher in PDK-deficient livers. Immunoblotting experiments confirmed that HP-bicarbonate production from HP-[1-13C]pyruvate parallels decreased phosphorylation of the PDH E1α subunit (pE1α) in liver tissue. Our findings indicate that combining real-time hyperpolarized 13C NMR spectroscopy and 13C isotopomer analysis provides quantitative insights into intermediary metabolism in PDK-knockout mice. We propose that this method will be useful in assessing metabolic disease states and developing therapies to improve PDH flux.
Effects of land use change from natural forest to plantation on C, N and natural abundance of 13C and 15N along a climate gradient in eastern China
Authors: Ngaba Mbezele Junior Yannick , Hu Ya-Lin , Bol Roland , Ma Xiang-Qing , Jin Shao-Fei , Mgelwa Abubakari Said
Published: November 2019

Soil C and N turnover rates and contents are strongly influenced by climates (e.g., mean annual temperature MAT, and mean annual precipitation MAP) as well as human activities. However, the effects of converting natural forests to intensively human-managed plantations on soil carbon (C), nitrogen (N) dynamics across various climatic zones are not well known. In this study, we evaluated C, N pool and natural abundances ofδ13C andδ15N in forest floor layer and 1-meter depth mineral soils under natural forests (NF) and plantation forest (PF) at six sites in eastern China. Our results showed that forest floor had higher C contents and lower N contents in PF compared to NF, resulting in high forest floor C/N ratios and a decrease in the quality of organic materials in forest floor under plantations. In general, soil C, N contents and their isotope changed significantly in the forest floor and mineral soil after land use change (LUC). Soilδ13C was significantly enriched in forest floor after LUC while bothδ13C andδ15N values were enriched in mineral soils. Linear and non-linear regressions were observed for MAP and MAT in soil C/N ratios and soilδ13C, in their changes with NF conversion to PF while soilδ15N values were positively correlated with MAT. Our findings implied that LUC alters soil C turnover and contents and MAP drive soilδ13C dynamic.
Association between the 4p16 genomic locus and different types of congenital heart disease: results from adult survivors in the UK Biobank
Authors: Córdova-Palomera Aldo , Priest James R.
Published: November 2019

Congenital heart disease is the most common birth defect in newborns and the leading cause of death in infancy, affecting nearly 1% of live births. A locus in chromosome 4p16, adjacent to MSX1 and STX18, has been associated with atrial septal defects (ASD) in multiple European and Chinese cohorts. Here, genotyping data from the UK Biobank was used to test for associations between this locus and congenital heart disease in adult survivors of left ventricular outflow tract obstruction (n = 164) and ASD (n = 223), with a control sample of 332,788 individuals, and a meta-analysis of the new and existing ASD data was performed. The results show an association between the previously reported markers at 4p16 and risk for either ASD or left ventricular outflow tract obstruction, with effect sizes similar to the published data (OR between 1.27–1.45; all p < 0.05). Differences in allele frequencies remained constant through the studied age range (40–70 years), indicating that the variants themselves do not drive lethal genetic defects. Meta-analysis shows an OR of 1.35 (95% CI: 1.25–1.46; p < 10−4) for the association with ASD. The findings show that the genetic associations with ASD can be generalized to adult survivors of both ASD and left ventricular lesions. Although the 4p16 associations are statistically compelling, the mentioned alleles confer only a small risk for disease and their frequencies in this adult sample are the same as in children, likely limiting their clinical significance. Further epidemiological and functional studies may elicit factors triggering disease in interaction with the risk alleles.
Effect of Chemical Order in the Structural Stability and Physicochemical Properties of B12N12 Fullerenes
Authors: Escobedo-Morales Alejandro , Tepech-Carrillo Lorenzo , Bautista-Hernández Alejandro , Camacho-García José Humberto , Cortes-Arriagada Diego , Chigo-Anota Ernesto
Published: November 2019

The effect of chemical order in the structural and physicochemical properties of B12N12 [4,6]-fullerene (BNF) isomers was evaluated using density functional theory and molecular dynamic calculations. The feasibility to find stable BNF isomers with atomic arrangement other than the well-known octahedral Th-symmetry was explored. In this study, the number of homonuclear bonds in the modeled nanostructures was used as categorical parameter to describe and quantify the degree of structural order. The BNF without homonuclear bonds was identified as the most energetically favorable isomer. However, a variety of BNF arrays departing from Th-symmetry was determined as stable structures also. The calculated vibrational spectra suggest that isomers with chemical disorder can be identified by infrared spectroscopy. In general, formation of homonuclear bonds is possible meanwhile the entropy of the system increases, but at expense of cohesive energy. It is proposed that formation of phase-segregated regions stablishes an apparent limit to the number of homonuclear bonds in stable B12N12 fullerenes. It was found that formation of homonuclear bonds decreases substantially the chemical hardness of BNF isomers and generates zones with large charge density, which might act as reactive sites. Moreover, chemical disorder endows BNF isomers with a permanent electric dipole moment as large as 3.28 D. The obtained results suggest that by manipulating their chemical order, the interaction of BNF’s with other molecular entities can be controlled, making them potential candidates for drug delivery, catalysis and sensing.
Reliable variant calling during runtime of Illumina sequencing
Authors: Loka Tobias P. , Tausch Simon H. , Renard Bernhard Y.
Published: November 2019

The sequential paradigm of data acquisition and analysis in next-generation sequencing leads to high turnaround times for the generation of interpretable results. We combined a novel real-time read mapping algorithm with fast variant calling to obtain reliable variant calls still during the sequencing process. Thereby, our new algorithm allows for accurate read mapping results for intermediate cycles and supports large reference genomes such as the complete human reference. This enables the combination of real-time read mapping results with complex follow-up analysis. In this study, we showed the accuracy and scalability of our approach by applying real-time read mapping and variant calling to seven publicly available human whole exome sequencing datasets. Thereby, up to 89% of all detected SNPs were already identified after 40 sequencing cycles while showing similar precision as at the end of sequencing. Final results showed similar accuracy to those of conventionalpost-hocanalysis methods. When compared to standard routines, our live approach enables considerably faster interventions in clinical applications and infectious disease outbreaks. Besides variant calling, our approach can be adapted for a plethora of other mapping-based analyses.
Stochastic deposition of amino acids into microcavities via microparticles
Authors: Popov Roman , Shankara Girish Karadka , von Bojnicic-Kninski Clemens , Barua Pramit , Mattes Daniela , Breitling Frank , Nesterov-Mueller Alexander
Published: November 2019

All known methods for solid-phase synthesis of molecular arrays exploit positioning techniques to deposit monomers on a substrate preferably high densely. In this paper, stochastic patterning of molecule spots (250 000 spots monomers/cm2) via random allocation of the microbeads on a microstructured glass is presented. The size and shape of the microbeads and the microcavities are selected in such a way so that only one microbead can fit into the respective microcavity. Each microbead can be loaded with a certain type of molecule e.g. amino acids and is brought in the microcavities stochastically. Applying solvent vapor and heating the substrate, the molecules are released from the microbeads and coupled to the functionalized substrate. To differentiate between the microbeads carrying different molecules, quantum dot labels are preliminary introduced into the microbeads. Fluorescence imaging and subsequent data analysis enable decoding of the molecule deposition patterns. After the coupling step is completed, the microbeads are mechanically removed from the microwells. The composition of the monomer microbeads, their deposition and the conditions of the monomer extraction are studied. The stochastic monomer patterning may be used to design novel molecular arrays.
3-D radar imaging unlocks the untapped behavioral and biomechanical archive of Pleistocene ghost tracks
Authors: Urban Thomas M. , Bennett Matthew R. , Bustos David , Manning Sturt W. , Reynolds Sally C. , Belvedere Matteo , Odess Daniel , Santucci Vincent L.
Published: November 2019

Footprint evidence of human-megafauna interactions remains extremely rare in the archaeological and palaeontological records. Recent work suggests ancient playa environments may hold such evidence, though the prints may not be visible. These so-called “ghost tracks” comprise a rich archive of biomechanical and behavioral data that remains mostly unexplored. Here we present evidence for the successful detection and 3-D imaging of such footprints via ground-penetrating radar (GPR), including co-associated mammoth and human prints. Using GPR we have found that track density and faunal diversity may be much greater than realized by the unaided human eye. Our data further suggests that detectable subsurface consolidation below mammoth tracks correlates with typical plantar pressure patterns from extant elephants. This opens future potential for more sophisticated biomechanical studies on the footprints of other extinct land vertebrates. Our approach allows rapid detection and documentation of footprints while enhancing the data available from these fossil archives.
Increased CD83 expression of CD34-positive monocytes in donors during peripheral blood stem cell mobilization in humans
Authors: Nakasone Hideki , Kikuchi Misato , Kawamura Koji , Akahoshi Yu , Sato Miki , Kawamura Shunto , Yoshino Nozomu , Takeshita Junko , Yoshimura Kazuki , Misaki Yukiko , Gomyo Ayumi , Tanihara Aki , Kusuda Machiko , Tamaki Masaharu , Kimura Shun-ichi , Kako Shinichi , Kanda Yoshinobu
Published: November 2019

CD34-positive monocytes (CD34+mono) have recently been identified in grafts mobilized by granulocyte-colony stimulating factor. We analyzed transplant outcomes of 73 patients whose donor’s peripheral blood cells were cryopreserved during mobilization. CD34+mono was detected more frequently in male donors (67% vs. 40%, P = 0.03), while the detection of CD34+mono in donors was not associated with the patient background. Although there was no significant difference in overall survival in the whole cohort, the detection of CD34+mono in donors were significantly associated with a decreased risk of non-relapse mortality (HR 0.23, P = 0.035). Fatal infectious events tended to be less frequent in donors with CD34+mono. Gene expression profile analyses of CD34+mono in humans revealed that the expressions of pro-inflammatory cytokines like IL6, CCL3, IL8, VEGFA, and IL1A were elevated in CD34+mono, and those cytokines were enriched in the immune response, especially against infectious pathogens in the gene ontology analyses. In addition, the expression of CD83 was specifically increased in CD34+mono. It might play a role of antigen presentation in the immune network, leading in a clinical benefit against infections. Further investigations will be required to confirm the biological functions and clinical roles of CD34+mono in transplantation.
Impacts of Physical and Biological Processes on Spatial and Temporal Variability of Particulate Organic Carbon in the North Pacific Ocean during 2003–2017
Authors: Yu Jun , Wang Xiujun , Fan Hang , Zhang Rong-Hua
Published: November 2019

The North Pacific Ocean is a significant carbon sink region, but little is known about the dynamics of particulate organic carbon (POC) and the influences of physical and biological processes in this region at the basin scale. Here, we analysed high-resolution surface POC data derived from MODIS-Aqua during 2003–2017, together with satellite-derived sea surface chlorophyll and temperature (SST). There are large spatial and temporal variations in surface POC in the North Pacific. Surface POC is much lower in the subtropical region (<50 mg m−3) than in the subarctic region (>100 mg m−3), primarily resulting from the south-to-north variability in biological production. Our analyses show significant seasonal and interannual variability in surface POC. In particular, there is one peak in winter-spring in the western subtropical region and two peaks in late spring and fall in the western subarctic region. Surface POC is positively correlated with chlorophyll (r = ~1) and negatively correlated with SST (r = ~−0.45, P < 0.001) south of 45°N, indicating the strong influence of physically driven biological activity on the temporal variability of POC in the subtropical region. There is a significantly positive but relatively lower correlation coefficient (0.6–0.8) between POC and chlorophyll and an overall non-significantly positive correlation between POC and SST north of 45°N, reflecting the reduction in the POC standing stock due to the fast sinking of large particles. The climate modes of the Pacific Decadal Oscillation, El Niño–Southern Oscillation and North Pacific Gyre Oscillation have large impacts on POC in various seasons in the subtropical region and weak influences in the subarctic region. Surface POC was anomalously high after 2013 (increased by ~15%) across the basin, which might be the result of complex interactions of physical and biological processes associated with an anomalous warming event (the Blob).
Life without a brain: Neuroradiological and behavioral evidence of neuroplasticity necessary to sustain brain function in the face of severe hydrocephalus
Authors: Ferris C. F. , Cai X. , Qiao J. , Switzer B. , Baun J. , Morrison T. , Iriah S. , Madularu D. , Sinkevicius K. W. , Kulkarni P.
Published: November 2019

A two-year old rat, R222, survived a life-time of extreme hydrocephaly affecting the size and organization of its brain. Much of the cortex was severely thinned and replaced by cerebrospinal fluid, yet R222 had normal motor function, could hear, see, smell, and respond to tactile stimulation. The hippocampus was malformed and compressed into the lower hindbrain together with the hypothalamus midbrain and pons, yet R222 showed normal spatial memory as compared to age-matched controls. BOLD MRI was used to study the reorganization of R222’s brain function showing global activation to visual, olfactory and tactile stimulation, particularly in the brainstem/cerebellum. The results are discussed in the context of neuroadaptation in the face of severe hydrocephaly and subsequent tissue loss, with an emphasis on what is the “bare minimum” for survival.
Adsorption of an anionic dye (Congo red) from aqueous solutions by pine bark
Authors: Litefti Khaoula , Freire M. Sonia , Stitou Mostafa , González-Álvarez Julia
Published: November 2019

Pinus pinaster bark, an abundant by-product from the timber industry, has been studied as a potential low-cost adsorbent for the removal of Congo red (CR) dye from wastewaters. Surface morphological and physico-chemical characteristics of pine bark were analysed using Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), determination of the point of zero charge (pHPZC) and elemental analysis. Assays were performed to determine the wavelength for the maximum absorbance and the stability with time of CR solutions depending on concentration and/or pH, which resulted to be a very significant parameter. Adsorption studies were conducted on batch mode to study the effect of contact time (till 7 days), pH (2–9), adsorbent dosage (1–10 g L−1) and temperature (25–60 °C). The bark adsorption capacity at equilibrium varied between 0.3 and 1.6 mg g−1 and the equilibrium adsorption percentage between 23.4 and 100% depending on adsorbent dosage, temperature and pH at an initial CR concentration of 5 mg L−1. Kinetic data for the removal of CR by pine bark were best fitted by the pseudo-second-order kinetic model. The equilibrium data fitted well with the Freundlich model. Thermodynamic analysis indicated that the adsorption process is exothermic and spontaneous.
Association between enteral nutrition support and neurological outcome in patients with acute intracranial haemorrhage: A retrospective cohort study
Authors: Cheng Xuping , Ru Weizhe , Du Kailei , Jiang Xuandong , Hu Yongxia , Zhang Weimin , Xu Yingting , Shen Yanfei
Published: November 2019

Association between the amount of enteral nutrition (EN) caloric intake and Glasgow coma scale scores at discharge (GCSdis) in intracranial haemorrhage (ICH) was retrospectively investigated in 230 patients in a single center from 2015 and 2017. GCSdis was used as a dichotomous outcome (≤8 or >8: 56/230 vs. 174/230) and its association with the amount of EN caloric intake within 48 hours was analysed in four logistic models. Model 1 used EN as a continuous variable and showed association with favourable GCSdis (odds ratio [OR], 1.04; 95% confidence interval [CI], 1.01–1.08). Models 2 and 3 categorized EN into two (≤25 and >25 kcal/kg/48 hrs) and three caloric intake levels (≤10, 10~25, and >25 kcal/kg/48 hrs) respectively, and compared them with the lowest level; highest EN level associated with favourable GCSdis in both model 2 (OR, 2.77; 95%CI, 1.25–6.13) and 3 (OR, 4.68; 95%CI, 1.61–13.61). Model 4 transformed EN into four quartiles (Q1-Q4). Compared to Q1, OR increased stepwise from Q2 (OR 1.80, 95%CI 0.59–5.44) to Q4 (OR 4.71, 95%CI 1.49–14.80). Propensity score matching analysis of 69 matched pairs demonstrated consistent findings. In the early stage of ICH, increased EN was associated with favourable GCSdis.
A randomized controlled trial of online symptom searching to inform patient generated differential diagnoses
Authors: Martin Seth S. , Quaye Emmanuel , Schultz Sarah , Fashanu Oluwaseun E. , Wang Jane , Saheed Mustapha O. , Prem Ramaswami  , de Freitas Hermes , Ribeiro-Neto Berthier , Parakh Kapil
Published: November 2019

Patient online health searching is now commonplace, however, the accuracy of patient generated differentials for new symptoms and potential for patient anxiety are concerns. We aimed primarily to determine the accuracy of patient generated differentials for new symptoms with and without online searching, and secondarily, to evaluate the impact of searching on anxiety levels. In the waiting room prior to seeing a clinician, 300 patients with new symptoms were randomly assigned 1:1:1 to Google searching with health related features including a symptom search tool vs Google searching with health related features disabled vs no searching. Participants were 18 years or older and presenting to the emergency department of an urban academic medical center with new low-acuity symptoms that were not due to exacerbation of a chronic condition. Search groups received access on a tablet/smartphone to Google searching with or without health related features. Both search groups could access any websites; health related features led the patient to common diagnoses and physician-validated information. The primary outcome was accuracy of the patient generated differential assessed by matching at least two of the top three diagnoses on the clinician’s differential. A secondary outcome was anxiety by a visual analogue scale. Patients were a median of 33.1 (IQI 26.2–45.9) years old, 60% women, 63% black, 82% had a high school education or less, and 45.7% reported having performed an online search prior to presentation. Search group patients spent a median of 3.82 (2.53–5.72) minutes searching online. Similar proportions of patients in each group matched at least two of three clinician diagnoses: 27.0% and 28.3% for Google searching with and without health related features vs 23.8% in the no search group. Patients in the search groups had a similar odds of matching ≥2/3 diagnoses as the no search group [OR (95% CI): 1.23 (0.70–2.13), p = 0.47]. Anxiety was unchanged with online searching. In conclusion, brief online searching in the waiting room did not improve accuracy of patient generated differential diagnoses for new symptoms. The absence of an increase in patient anxiety provides reassurance for subsequent work to refine and investigate online symptom search tools.
Boosting the secret key rate in a shared quantum and classical fibre communication system
Authors: Bacco Davide , Da Lio Beatrice , Cozzolino Daniele , Da Ros Francesco , Guo Xueshi , Ding Yunhong , Sasaki Yusuke , Aikawa Kazuhiko , Miki Shigehito , Terai Hirotaka , Yamashita Taro , Neergaard-Nielsen Jonas S. , Galili Michael , Rottwitt Karsten , Andersen Ulrik L. , Morioka Toshio , Oxenløwe Leif K.
Published: November 2019

During the last 20 years, the advance of communication technologies has generated multiple exciting applications. However, classical cryptography, commonly adopted to secure current communication systems, can be jeopardised by the advent of quantum computers. Quantum key distribution (QKD) is a promising technology aiming to solve such a security problem. Unfortunately, current implementations of QKD systems show relatively low key rates, demand low channel noise and use ad hoc devices. In this work, we picture how to overcome the rate limitation by using a 37-core fibre to generate 2.86 Mbit s−1 per core that can be space multiplexed into the highest secret key rate of 105.7 Mbit s−1 to date. We also demonstrate, with off-the-shelf equipment, the robustness of the system by co-propagating a classical signal at 370 Gbit s$${}^{-1}$$

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1

, paving the way for a shared quantum and classical communication network.
Effect of microsolvation on the non-radiative decay of the eumelanin monomer
Authors: Ghosh Paulami , Ghosh Debashree
Published: November 2019

A plethora of various low energy accessible deactivation modes of DHI were explored.
Photoelectrocatalytic oxidation of 3-pyridinemethanol to 3-pyridinemethanal and vitamin B3 by TiO2 nanotubes
Authors: Yurdakal Sedat , Çetinkaya Sıdıka , Şarlak Muhsine Beyza , Özcan Levent , Loddo Vittorio , Palmisano Leonardo
Published: November 2019

In this paper, the first photoelectrocatalytic 3-pyridinemethanol oxidation to 3-pyridinemethanal and vitamin B3 was investigated.
Palladium doping of In2O3 towards a general and selective catalytic hydrogenation of amides to amines and alcohols
Authors: Sorribes Iván , Lemos Samantha C. S. , Martín Santiago , Mayoral Alvaro , Lima Renata C. , Andrés Juan
Published: November 2019

The first general heterogeneous hydrogenation of amides to amines and alcohols is performed under additive-free conditions and without product de-aromatization by applying a Pd-doped In2O3 catalyst.
Correction: Insights into melanoidin conversion into fluorescent nanoparticles in the Maillard reaction
Authors: Li Dongmei , Xie Yisha , Na Xiaokang , Li Yao , Dai Chengbo , Li Yulian , Tan Mingqian
Published: November 2019

Correction for ‘Insights into melanoidin conversion into fluorescent nanoparticles in the Maillard reaction’ by Dongmei Li et al., Food Funct., 2019, 10, 4414–4422.
All-dielectric concentration of electromagnetic fields at the nanoscale: the role of photonic nanojets
Authors: Zhu Jinlong , Goddard Lynford L.
Published: November 2019

This article gives a thorough and unprecedented review that presents new perspectives, unusual physics, and exciting trends for photonic nanojets.
Dye-sensitized TiO2 nanotube membranes act as a visible-light switchable diffusion gate
Authors: Hwang Imgon , Riboni Francesca , Gongadze Ekaterina , Iglič Aleš , Yoo JeongEun , So Seulgi , Mazare Anca , Schmuki Patrik
Published: November 2019

Herein, anodic TiO2 nanotube membranes, after sensitization with a Ru(ii)-based dye, exhibit visible-light switching properties for flow-through the nanotube channels and can be used as an optically addressable flow-through gate in nanofluidics.
Construction of 1D conductive Ni-MOF nanorods with fast Li+ kinetic diffusion and stable high-rate capacities as an anode for lithium ion batteries
Authors: Guo Lingzhi , Sun Jinfeng , Sun Xuan , Zhang Jinyang , Hou Linrui , Yuan Changzhou
Published: November 2019

1D conductive Ni-CAT nanorods with a superb Li+ diffusion coefficient and electronic conductivity exhibited remarkable electrochemical lithium storage properties, and the charge-storage mechanism involved was rationally put forward.
An amorphous FeNiOxthin film obtained by anodic electrodeposition as an electrocatalyst toward the oxygen evolution reaction
Authors: Liang Zihao , Ge Xingbo , Liu Jia
Published: November 2019

Novelty of the work: amorphous FeNiOxwas fabricatedviaanodic electrochemical deposition as an efficient catalyst for OER.
Development of multi-drug loaded PEGylated nanodiamonds to inhibit tumor growth and metastasis in genetically engineered mouse models of pancreatic cancer
Authors: Madamsetty Vijay Sagar , Pal Krishnendu , Keshavan Sandeep , Caulfield Thomas R. , Dutta Shamit Kumar , Wang Enfeng , Fadeel Bengt , Mukhopadhyay Debabrata
Published: November 2019

Schematic representation demonstrating the fabrication and in vivo evaluation of an immune-modulatory nano-formulation consisting of irinotecan and curcumin in immune-competent mouse models of pancreatic adenocarcinoma.