bluuebunny/crossref_metadata_2025_split huggingface dataset:
A diradical based on odd-electron σ-bonds
Authors: Yang Wenbang , Zhang Li , Xiao Dengmengfei , Feng Rui , Wang Wenqing , Pan Sudip , Zhao Yue , Zhao Lili , Frenking Gernot , Wang Xinping 
Published: July 2020

AbstractThe concept of odd-electron σ–bond was first proposed by Linus Pauling. Species containing such a bond have been recognized as important intermediates encountered in many fields. A number of radicals with a one-electron or three-electron σ-bond have been isolated, however, no example of a diradical based odd-electron σ-bonds has been reported. So far all stable diradicals are based on twos/p-localized orπ-delocalized unpaired electrons (radicals). Here, we report a dication diradical that is based on two Se∴Se three-electron σ–bonds. In contrast, the dication of sulfur analogue does not display diradical character but exhibits a closed-shell singlet.
Cryo-EM structure of catalytic ribonucleoprotein complex RNase MRP
Authors: Perederina Anna , Li Di , Lee Hyunwook , Bator Carol , Berezin Igor , Hafenstein Susan L. , Krasilnikov Andrey S. 
Published: July 2020

AbstractRNase MRP is an essential eukaryotic ribonucleoprotein complex involved in the maturation of rRNA and the regulation of the cell cycle. RNase MRP is related to the ribozyme-based RNase P, but it has evolved to have distinct cellular roles. We report a cryo-EM structure of the S. cerevisiae RNase MRP holoenzyme solved to 3.0 Å. We describe the structure of this 450 kDa complex, interactions between its components, and the organization of its catalytic RNA. We show that some of the RNase MRP proteins shared with RNase P undergo an unexpected RNA-driven remodeling that allows them to bind to divergent RNAs. Further, we reveal how this RNA-driven protein remodeling, acting together with the introduction of new auxiliary elements, results in the functional diversification of RNase MRP and its progenitor, RNase P, and demonstrate structural underpinnings of the acquisition of new functions by catalytic RNPs.
Exchange-correlation functionals for band gaps of solids: benchmark, reparametrization and machine learning
Authors: Borlido Pedro , Schmidt Jonathan , Huran Ahmad W. , Tran Fabien , Marques Miguel A. L. , Botti Silvana 
Published: July 2020

AbstractWe conducted a large-scale density-functional theory study on the influence of the exchange-correlation functional in the calculation of electronic band gaps of solids. First, we use the large materials data set that we have recently proposed to benchmark 21 different functionals, with a particular focus on approximations of the meta-generalized-gradient family. Combining these data with the results for 12 functionals in our previous work, we can analyze in detail the characteristics of each approximation and identify its strong and/or weak points. Beside confirming that mBJ, HLE16 and HSE06 are the most accurate functionals for band gap calculations, we reveal several other interesting functionals, chief among which are the local Slater potential approximation, the GGA AK13LDA, and the meta-GGAs HLE17 and TASK. We also compare the computational efficiency of these different approximations. Relying on these data, we investigate the potential for improvement of a promising subset of functionals by varying their internal parameters. The identified optimal parameters yield a family of functionals fitted for the calculation of band gaps. Finally, we demonstrate how to train machine learning models for accurate band gap prediction, using as input structural and composition data, as well as approximate band gaps obtained from density-functional theory.
Group structure and kinship in beluga whale societies
Authors: O’Corry-Crowe Greg , Suydam Robert , Quakenbush Lori , Smith Thomas G. , Lydersen Christian , Kovacs Kit M. , Orr Jack , Harwood Lois , Litovka Dennis , Ferrer Tatiana 
Published: July 2020

AbstractEvolutionary explanations for mammalian sociality typically center on inclusive-fitness benefits of associating and cooperating with close kin, or close maternal kin as in some whale societies, including killer and sperm whales. Their matrilineal structure has strongly influenced the thinking about social structure in less well-studied cetaceans, including beluga whales. In a cross-sectional study of group structure and kinship we found that belugas formed a limited number of distinct group types, consistently observed across populations and habitats. Certain behaviours were associated with group type, but group membership was often dynamic. MtDNA-microsatellite profiling combined with relatedness and network analysis revealed, contrary to predictions, that most social groupings were not predominantly organized around close maternal relatives. They comprised both kin and non-kin, many group members were paternal rather than maternal relatives, and unrelated adult males often traveled together. The evolutionary mechanisms that shape beluga societies are likely complex; fitness benefits may be achieved through reciprocity, mutualism and kin selection. At the largest scales these societies are communities comprising all ages and both sexes where multiple social learning pathways involving kin and non-kin can foster the emergence of cultures. We explore the implications of these findings for species management and the evolution of menopause.
Associations of nicotidamide-N-methyltransferase, FTO, and IRX3 genetic variants with body mass index and resting energy expenditure in Mexican subjects
Authors: Bañales-Luna Maciel , Figueroa-Vega Nicté , Marín-Aragón Carolina Ivet , Perez-Luque Elva , Ibarra-Reynoso Lorena , Gallardo-Blanco Hugo L. , López-Aguilar Itzel , Malacara Juan Manuel 
Published: July 2020

AbstractThe enzyme nicotidamide-N-methyltransferase (NNMT) regulates adipose tissue energy expenditure through increasing nicotinamide adenosine dinucleotide (NAD+) content. NNMT methylates nicotinamide to N1-methylnicotidamide (MNA-1) using S-adenosyl methionine. The rs694539 NNMT polymorphism is associated with non-alcoholic steatohepatitis, and rs1941404 is associated with hyperlipidemia. The rs1421085 FTO is related to poor eating behaviors, and rs3751723 IRX3 is associated with obesity. To investigate the association of rs694539 and rs1941404 NNMT, rs140285 FTO and rs3751723 IRX3 polymorphisms with MNA-1 concentrations, resting energy expenditure (REE) and BMI, we included clinically healthy Mexican subjects 30 to 50 years old, 100 subjects (35 men/65 women) with BMI > 30 kg/m2 and 100 subjects (32 men/68 women) with BMI < 25 kg/m2. Glucose, lipid profile, insulin, leptin, acylated ghrelin, and MNA-1 (LC–MS) were quantified. Resting energy expenditure (REE) was estimated using indirect calorimetry with a Fitmate instrument. Genotyping was performed using PCR–RFLP, and allelic discrimination was examined using TaqMan probes. MNA-1 concentrations and REE were significantly higher in obese subjects. Subjects with the rs694539AA NNMT genotype (recessive model) had lower weight, BMI, and REE. BMI showed an association with HDL-C, triglycerides, MNA-1, acetylated ghrelin, leptin, insulin concentrations, HOMA-IR, REE, and rs1421085. Subjects with the TC or CC genotypes of rs1421085 FTO showed 6 kg and 2 units of BMI more than did those with the TT wild type. The CG of the rs1421085 and rs3751723 haplotypes was associated with BMI. These findings showed that BMI was strongly associated with REE, rs1421085 FTO and the CG rs1421085 FTO and rs3751723 IRX3 haplotypes. We used the GMDR approach in obesity phenotype to show the interaction of four SNPs and metabolic variables.
Non-reassuring foetal status and sleep problems in 1-year-old infants in the Japan Environment and Children’s Study: a cohort study
Authors: Nakahara Kazushige , Michikawa Takehiro , Morokuma Seiichi , Ogawa Masanobu , Kato Kiyoko , Sanefuji Masafumi , Shibata Eiji , Tsuji Mayumi , Shimono Masayuki , Kawamoto Toshihiro , Ohga Shouichi , Kusuhara Koichi ,   The Japan Environment and Children’s Study Group, Kamijima Michihiro , Yamazaki Shin , Ohya Yukihiro , Kishi Reiko , Yaegashi Nobuo , Hashimoto Koichi , Mori Chisato , Ito Shuichi , Yamagata Zentaro , Inadera Hidekuni , Nakayama Takeo , Iso Hiroyasu , Shima Masayuki , Kurozawa Youichi , Suganuma Narufumi , Katoh Takahiko 
Published: July 2020

AbstractAbnormal autonomic function may cause false-positive non-reassuring foetal status (fpNRFS) and may also cause sleeping problems after birth. However, an association between fpNRFS and sleeping problems in infants has not been reported. We previously showed an association of NRFS with temperament, including bad mood and frequent crying for long durations in 1-month-old infants. In the present study, we aimed to assess this association in 1-year-old infants. A total of 62,612 single pregnant women were included in the analysis. fpNRFS was identified from medical records. Sleep problems, such as short sleep duration or crying at night, were investigated in 1-year-old infants using a questionnaire for mothers. We used a log-binominal regression model to explore the association of fpNRFS with each sleep problem and to estimate risk ratios (RRs). The number of fpNRFS cases was 2,071, with a frequency of 3.3%. We observed an association of fpNRFS with shorter sleep duration of less than 8 h a night (RR 1.30, 95% confidence intervals [CI] 1.10–1.54), crying at night (RR 1.19, 95% CI 1.03–1.39), and bedtime after 22:00 (RR 1.09, 95% CI 1.00–1.18). fpNRFS may be associated with sleep problems in 1-year-old infants.
Cortical spreading depolarisation-induced facial hyperalgesia, photophobia and hypomotility are ameliorated by sumatriptan and olcegepant
Authors: Tang Chunhua , Unekawa Miyuki , Kitagawa Satoshi , Takizawa Tsubasa , Kayama Yohei , Nakahara Jin , Shibata Mamoru 
Published: July 2020

AbstractCortical spreading depolarisation (CSD), the neural mechanism underlying migraine aura, may cause headache by sensitising the trigeminal system. Photophobia, the most bothersome accompanying symptom during migraine attacks, is more prevalent in migraine with aura than in migraine without aura. Whether CSD plays a role in developing photophobia remains unknown. Moreover, migraine-induced physical hypoactivity contributes to loss of productivity. We aimed to investigate the development of trigeminal sensitisation, photophobia and locomotive abnormality after KCl-induced CSD using 86 male C57BL/6 mice. Sham-operated mice were used as controls. We confirmed the presence of trigeminal sensitisation and photophobia at 24 h after CSD. CSD-subjected mice also exhibited significantly reduced locomotive activity in both light and dark zones. Hence, the CSD-induced hypomobility was likely to be independent of photophobia. The 5-HT1B/1D agonist, sumatriptan, corrected all these CSD-induced abnormalities. Moreover, dose dependency was demonstrated in the ameliorating effect of the calcitonin gene-related peptide (CGRP) receptor antagonist, olcegepant, on these abnormalities. Sumatriptan and olcegepant improved mouse locomotion with therapeutic lags ranging from 20 to 30 min. Collectively, CSD caused trigeminal sensitisation, photophobia and hypomobility that persisted for at least 24 h by a mechanism involving the 5-HT1B/1D and CGRP activity.
Increased large-scale inter-network connectivity in relation to impulsivity in Parkinson’s disease
Authors: Koh Jinsoo , Kaneoke Yoshiki , Donishi Tomohiro , Ishida Takuya , Sakata Mayumi , Hiwatani Yasuhiro , Nakayama Yoshiaki , Yasui Masaaki , Ishiguchi Hiroshi , Hironishi Masaya , Murata Ken-ya , Terada Masaki , Ito Hidefumi 
Published: July 2020

AbstractImpulsivity is a neuropsychiatric feature of Parkinson’s disease (PD). We investigated the pathophysiology of impulsivity in PD using resting-state functional magnetic resonance imaging (rs-fMRI). We investigated 45 patients with idiopathic PD and 21 healthy controls. Based on Barratt Impulsiveness Scale (BIS-11) score, PD patients were classified as higher (PD-HI) or lower impulsivity (PD-LI). Functional connectivity (FC) between various large-scale brain networks were analysed using the CONN toolbox. FC between the right frontoparietal network (FPN) and medial visual network (MVN) was significantly higher in PD-HI patients than PD-LI patients (false discovery rate [FDR]-adjusted p = 0.0315). FC between the right FPN and MVN had a significant positive correlation with total BIS-11 score (FDR-adjusted p = 0.010) and the attentional impulsivity (FDR-adjusted p = 0.046) and non-planning impulsivity subscale scores (FDR-adjusted p = 0.018). On the other hand, motor impulsivity subscale score had a significant negative correlation with the FC between the default-mode and salience networks (right supramarginal gyrus, FDR-adjusted p = 0.018; anterior cingulate cortex, FDR-adjusted p = 0.027); this trend was observed in healthy controls. The attentional and non-planning impulsivity, regarded as ‘cognitive’ impulsivity, may be associated with dysfunction in integration of perceptual information and flexible cognitive control in PD.
The profiles and tensile strength on straight roots of plants withstand transient tensile injured after self-repair
Authors: Wang Chenglong , Zhang Xin , Liu Jing , Wang Bo , Li Youfang , Li Qiang 
Published: July 2020

AbstractPlants roots are severely injured during the process of withstanding transient tensile, and the injured roots can self-repair. We investigated the change law of the growth characteristics and tensile strength on straight roots withstand transient tensile injured after self-repair. The survival rate of two kinds of injured plants roots was between 60 and 89%. The test roots after self-repaired, the tensile strength reduction rate of Hippophae rhamnoides L. roots was greater than that of Salix psammophila roots. The tensile force was positively related to the power function of root diameter, the tensile strength was negatively related to the root diameter in a power function. The tensile strength of straight roots under small injured force showed an increasing trend, but the straight roots under the large injured force showed the opposite result. The survival rate of rough roots was greater than that of fine roots. The large injured force was not conducive to the repair and force again of the straight roots of two kinds of plants. The reduction rate of tensile strength after repaired with small force was less than that of large force. The self-repair ability of fine roots was weaker than that of rough roots.
Predicting in-season maize (Zea mays L.) yield potential using crop sensors and climatological data
Authors: Dhillon Jagmandeep , Aula Lawrence , Eickhoff Elizabeth , Raun William 
Published: July 2020

AbstractThe environment randomly influences nitrogen (N) response, demand, and optimum N rates. Field experiments were conducted at Lake Carl Blackwell (LCB) and Efaw Agronomy Research Station (Efaw) from 2015 to 2018 in Oklahoma, USA. Fourteen site years of data were used from two different trials, namely Regional Corn (Regional) and Optimum N rate (Optimum N). Three algorithms developed by Oklahoma State University (OSU) to predict yield potential were tested on both trials. Furthermore, three new models for predicting potential yield using optical crop sensors and climatological data were developed for maize in rain-fed conditions. The models were trained/built using Regional and were then validated/tested on the Optimum N trial. Out of three models, one model was developed using all of the Regional trial (combined model), and the other two were prepared from each location LCB and Efaw model. Of the three current algorithms; one worked best at predicting final grain yield at LCB location only. The coefficient of determination R2 = 0.15 and 0.16 between actual grain yield and predicted grain yield was observed for Regional and Optimum N rate trials, respectively. The results further indicated that the new models were better at predicting final grain yield except for Efaw model (R2 = 0.04) when tested on optimum N trial. Grain yield prediction for the combined model had an R2 = 0.31. The best yield prediction was obtained at LCB with an R2 = 0.52. Including climatological data significantly improved the ability to predict final grain yield along with using mid-season sensor data.
Topologically protected spin diffusion and spin generator using chalcogenide superlattices
Authors: Tominaga Junji , Miyata Noriyuki , Sumi Satoshi , Awano Hiroyuki , Murakami Shuichi 
Published: July 2020

AbstractSpintronics is expected to be the basis for future ultra-low-energy nanoelectronic devices. To operate such devices at room temperature, amplifiers, batteries, capacitors, as well as spin current sources are required. Here we report a chalcogenide superlattice composed of GeTe and Sb2Te3 layers that have a topologically protected spin diffusion length exceeding 100 μm at room temperature. A spin generator is demonstrated by combining magnetic injectors (TbFeCo) with this superlattice. The spin current was found to increase exponentially with the number of superlattice periods. We used this effect to demonstrate a 15-fold increase in the spin current. In addition, spin rectification is possible by growing the superlattice layers with atomic-level thickness accuracy. The reported chalcogenide superlattice spin generators and rectifiers open new opportunities to design low-energy spintronic integrated circuits and quantum computers.
Metal–insulator transition in few-layered GaTe transistors
Authors: Xia Xiuxin , Li Xiaoxi , Wang Hanwen 
Published: July 2020

Abstract
Two-dimensional (2D) materials have triggered enormous interest thanks to their interesting properties and potential applications, ranging from nanoelectronics to energy catalysis and biomedicals. In addition to other widely investigated 2D materials, GaTe, a layered material with a direct band gap of ~1.7 eV, is of importance for applications such as optoelectronics. However, detailed information on the transport properties of GaTe is yet to be explored, especially at low temperatures. Here, we report on electrical transport measurements on few-layered GaTe field effect transistors (FETs) encapsulated by h-BN at different temperatures. We find that by tuning the carrier density, ambipolar transport was realized in GaTe devices, and an electrical-field-induced metal to insulator transition (MIT) was observed when it was hole doped. The mobilities of GaTe devices show a clear dependence on temperature and increase with the decrease of temperature, reaching ~1200 cm2V−1s−1 at 3 K. Our findings may inspire further electronic studies in devices based on GaTe.
Mn doping effects on the gate-tunable transport properties of Cd3As2 films epitaxied on GaAs
Authors: Wang Hailong , Ma Jialin , Wei Qiqi , Zhao Jianhua 
Published: July 2020

Abstract
The Mn doping effects on the gate-tunable transport properties of topological Dirac semimetal Cd3As2 films have been investigated. Mn-doped Cd3As2 films are directly grown on GaAs(111)B substrates by molecular-beam epitaxy, during which the single crystal phase can be obtained with Mn concentration less than 2%. Shubnikov-de Haas oscillation and quantum Hall effect are observed at low temperatures, and electrons are found to be the dominant carrier in the whole temperature range. Higher Mn content results in smaller lattice constant, lower electron mobility and larger effective band gap, while the carrier density seems to be unaffected by Mn-doping. Gating experiments show that Shubnikov-de Haas oscillation and quantum Hall effect are slightly modulated by electric field, which can be explained by the variation of electron density. Our results provide useful information for understanding the magnetic element doping effects on the transport properties of Cd3As2 films.
Big Data from Space for Precision Agriculture Applications
Authors: Bovolo F , Bruzzone L , Fernández-Prieto D , Paris C , Solano-Correa Y T , Volden E , Zanetti M 
Published: July 2020

Abstract
This paper presents an approach for precision agriculture large scale applications based on the analysis of big data consisting in Satellite Image Time Series (SITS) acquired by ESA Sentinel-2 (S2) satellite constellation. The approach has been developed in the framework of the ESA SEOM - Scientific Exploitation of Operational Missions - S2-4Sci Land and Water project [1]. To focus only on agricultural areas, images are first filtered based on a land cover (LC) map that is generated by updating available old maps by means of recent images. Then S2 SITS are used to analyse agricultural areas. Two macro challenges are therefore considered: (i) automatic update of LC maps and generation of agricultural areas mask; and (ii) unsupervised multi-temporal (MT) fine characterization of land plots.
Integrated capacity building for faster up-take of Earth observation data in knowledge value chains.
Authors: Lilja Bye Bente , Voidrot Marie-Francoise 
Published: July 2020

Abstract
In order to benefit from the vast amount of Earth observation data, faster transformations of data to information and knowledge is necessary. NextGEOSS data hub and platform enable this through its services. These services are delivered in a 5-step user experience that includes training and capacity building in each step. NextGEOSS is using various methods, such as online training, hackathons, and in person training integrated in a onboarding process applicable to all value chains, resulting in faster up-take of Earth observation data.
The Minamata Knowledge Hub: from data to knowledge supporting Minamata Convention on Mercury
Authors: D’Amore F , De Simone F , Bencardino M , Cinnirella S , Hedgecock I M , Sprovieri F , Pirrone N 
Published: July 2020

Abstract
Atmospheric mercury (Hg) emissions are a significant component of the global Hg cycle. As the Minamata Convention on Mercury comes into effect, controlling atmospheric mercury emissions has become a compulsory goal. Decision-maker initiatives process the scientific data and information within a milieu encompassing many economic, political, social, and cultural concerns. A knowledge platform oriented to support decisors aims to answer questions on how will change the Hg deposition fluxes over one/some/all of the receptor regions following the alteration of Hg anthropogenic emissions, and which is the impact on the marine food. In this paper we present the knowledge platform in order to support Minamata Convention and stakeholders to take better decisions from data. The process to learn from data are discussed and presented from an user point of view, proposing features and tools to be included in a knowledge platform oriented to earth observation.
Linked Data Approach to Water Resources Management of Hydropower Reservoirs
Authors: Damova M , Stoyanov E , Kopchev M , Kuzmanova K , Natali S 
Published: July 2020

Abstract
The exploitation of hydropower reservoirs involves daily water resources management. Water resources managers consult periodically collected detailed data about the condition of the hydropower reservoirs, water economic data, meteorological data and forecasts, geographical and geospatial information about the water reservoirs and their contingent environment. These data are usually scattered and looked at one by one per category. Moreover, satellite data have not been typically involved in this process. We propose a linked data approach [1] to create knowledge value chain for the needs of hydropower reservoirs exploitation, based on semantic integration of earth observation data with spatial information of GIS, symbolic, numerical data and domain knowledge. We demonstrate on the example of water balance calculation for dams and cascades how satellite data and in-situ measurements are being mixed with other data, apply neural networks [2] to forecast water levels, water volumes and other characteristics based on historic data. We show how the results of the forecasts interoperate with the linked data infrastructure, how dangerous situations for the contingent areas of the water reservoirs can be identified and how signals about risks of dam overflow and hence about the water quantities available for discharge can be provided.