bluuebunny/crossref_metadata_2025_split huggingface dataset:
Organic-to-inorganic structural chirality transfer in a 2D hybrid perovskite and impact on Rashba-Dresselhaus spin-orbit coupling
Authors: Jana Manoj K. , Song Ruyi , Liu Haoliang , Khanal Dipak Raj , Janke Svenja M. , Zhao Rundong , Liu Chi , Valy Vardeny Z. , Blum Volker , Mitzi David B. 
Published: September 2020

AbstractTranslation of chirality and asymmetry across structural motifs and length scales plays a fundamental role in nature, enabling unique functionalities in contexts ranging from biological systems to synthetic materials. Here, we introduce a structural chirality transfer across the organic–inorganic interface in two-dimensional hybrid perovskites using appropriate chiral organic cations. The preferred molecular configuration of the chiral spacer cations,R-(+)- orS-(−)-1-(1-naphthyl)ethylammonium and their asymmetric hydrogen-bonding interactions with lead bromide-based layers cause symmetry-breaking helical distortions in the inorganic layers, otherwise absent when employing a racemic mixture of organic spacers. First-principles modeling predicts a substantial bulk Rashba-Dresselhaus spin-splitting in the inorganic-derived conduction band with opposite spin textures betweenR- andS-hybrids due to the broken inversion symmetry and strong spin-orbit coupling. The ability to break symmetry using chirality transfer from one structural unit to another provides a synthetic design paradigm for emergent properties, including Rashba-Dresselhaus spin-polarization for hybrid perovskite spintronics and related applications.
Chromatin remodeling in bovine embryos indicates species-specific regulation of genome activation
Authors: Halstead Michelle M. , Ma Xin , Zhou Chuan , Schultz Richard M. , Ross Pablo J. 
Published: September 2020

AbstractThe shift from maternal to embryonic control is a critical developmental milestone in preimplantation development. Widespread transcriptomic and epigenetic remodeling facilitate this transition from terminally differentiated gametes to totipotent blastomeres, but the identity of transcription factors (TF) and genomic elements regulating embryonic genome activation (EGA) are poorly defined. The timing of EGA is species-specific, e.g., the timing of murine and human EGA differ significantly. To deepen our understanding of mammalian EGA, here we profile changes in open chromatin during bovine preimplantation development. Before EGA, open chromatin is enriched for maternal TF binding, similar to that observed in humans and mice. During EGA, homeobox factor binding becomes more prevalent and requires embryonic transcription. A cross-species comparison of open chromatin during preimplantation development reveals strong similarity in the regulatory circuitry underlying bovine and human EGA compared to mouse. Moreover, TFs associated with murine EGA are not enriched in cattle or humans, indicating that cattle may be a more informative model for human preimplantation development than mice.
Continuous 3D printing from one single droplet
Authors: Zhang Yu , Dong Zhichao , Li Chuxin , Du Huifeng , Fang Nicholas X. , Wu Lei , Song Yanlin 
Published: September 2020

Abstract3D printing has become one of the most promising methods to construct delicate 3D structures. However, precision and material utilization efficiency are limited. Here, we propose a one-droplet 3D printing strategy to fabricate controllable 3D structures from a single droplet ascribing to the receding property of the three-phase contact line (TCL) of the resin droplet. The well-controlled dewetting force of liquid resin on the cured structure results in the minimization of liquid residue and the high wet and net material utilization efficiency in forming a droplet into a 3D structure. Additionally, extra curing induced protruding or stepped sidewalls under high printing speed, which require high UV intensity, can be prevented. The critical is the free contact surface property of the droplet system with the introduction of the receding TCL, which increased the inner droplet liquid circulation and reduces the adhesion properties among the liquid resin, cured resin, and resin vat.
Array programming with NumPy
Authors: Harris Charles R. , Millman K. Jarrod , van der Walt Stéfan J. , Gommers Ralf , Virtanen Pauli , Cournapeau David , Wieser Eric , Taylor Julian , Berg Sebastian , Smith Nathaniel J. , Kern Robert , Picus Matti , Hoyer Stephan , van Kerkwijk Marten H. , Brett Matthew , Haldane Allan , del Río Jaime Fernández , Wiebe Mark , Peterson Pearu , Gérard-Marchant Pierre , Sheppard Kevin , Reddy Tyler , Weckesser Warren , Abbasi Hameer , Gohlke Christoph , Oliphant Travis E. 
Published: September 2020

AbstractArray programming provides a powerful, compact and expressive syntax for accessing, manipulating and operating on data in vectors, matrices and higher-dimensional arrays. NumPy is the primary array programming library for the Python language. It has an essential role in research analysis pipelines in fields as diverse as physics, chemistry, astronomy, geoscience, biology, psychology, materials science, engineering, finance and economics. For example, in astronomy, NumPy was an important part of the software stack used in the discovery of gravitational waves1and in the first imaging of a black hole2. Here we review how a few fundamental array concepts lead to a simple and powerful programming paradigm for organizing, exploring and analysing scientific data. NumPy is the foundation upon which the scientific Python ecosystem is constructed. It is so pervasive that several projects, targeting audiences with specialized needs, have developed their own NumPy-like interfaces and array objects. Owing to its central position in the ecosystem, NumPy increasingly acts as an interoperability layer between such array computation libraries and, together with its application programming interface (API), provides a flexible framework to support the next decade of scientific and industrial analysis.
Pre-transplant depression decreased overall survival of patients receiving allogeneic hematopoietic stem cell transplantation: a nationwide cohort study
Authors: Wang Sheng-Min , Park Sung-Soo , Park Si-Hyun , Kim Nak-Young , Kang Dong Woo , Na Hae-Ran , Lee Jong Wook , Han Seunghoon , Lim Hyun Kook 
Published: September 2020

AbstractStudies investigating association of depression with overall survival (OS) after allogeneic hematopoietic stem cell transplantation (allo-HSCT) yielded conflicting results. A nationwide cohort study, which included all adult patients [n = 7,170; depression group, 13.3% (N = 956); non-depression group, 86.7% (N = 6,214)] who received allo-HSCT from 2002 to 2018 in South Korea, analyzed risk of pre-transplant depression in OS of allo-HSCT. Subjects were followed from the day they received allo-HSCT, to occurrence of death, or last follow-up day (December 31, 2018). Median age at allo-HSCT for depression and non-depression groups were 50 and 45 (p < 0.0001), respectively. Two groups also differed in rate of females (depression group, 55.8%; non-depression group, 43.8%; p < 0.0001) and leukemia (depression group, 61.4%; non-depression group, 49.7%; p < 0.0001). After a median follow-up of 29.1 months, 5-year OS rate was 63.1%. Cox proportional-hazard regression evaluated an adjusted risk of post-transplant mortality related to depression: OS decreased sequentially from no depression (adjusted hazard ratio [aHR] = 1) to pre-transplant depression only (aHR = 1.167, CI: 1.007–1.352, p = 0.04), and to having both depression and anxiety disorder (aHR = 1.202, CI: 1.038–1.393, p = 0.014) groups. Pre-transplant anxiety (anxiety only) did not have significant influence in OS. Additional medical and psychiatric care might be necessary in patients who experienced depression, especially with anxiety, before allo-HSCT.
Convolutional neural networks versus radiologists in characterization of small hypoattenuating hepatic nodules on CT: a critical diagnostic challenge in staging of colorectal carcinoma
Authors: Khalili Korosh , Lawlor Raymond L. , Pourafkari Marina , Lu Hua , Tyrrell Pascal , Kim Tae Kyoung , Jang Hyun-Jung , Johnson Sarah A. , Martel Anne L. 
Published: September 2020

AbstractOur objective was to compare the diagnostic performance and diagnostic confidence of convolutional neural networks (CNN) to radiologists in characterizing small hypoattenuating hepatic nodules (SHHN) in colorectal carcinoma (CRC) on CT scans. Retrospective review of CRC CT scans over 6-years yielded 199 patients (550 SHHN) defined as < 1 cm in diameter. The reference standard was established through 1-year stability/MRI for benign or nodule evolution for malignant nodules. Five CNNs underwent supervised training on 150 patients (412 SHHN). The remaining 49 patients (138 SHHN) were used as testing-set to compare performance of 3 radiologists to CNN, measured through ROC AUC analysis of confidence rating assigned to each nodule by the radiologists. Multivariable modeling was used to compensate for radiologist bias from visible findings other than SHHN. In characterizing SHHN as benign or malignant, the radiologists’ mean AUC ROC (0.96) was significantly higher than CNN (0.84, p = 0.0004) but equivalent to CNN adjusted through multivariable modeling for presence of synchronous ≥ 1 cm liver metastases (0.95, p = 0.9). The diagnostic confidence of radiologists and CNN were analyzed. There were significantly lower number of nodules rated with low confidence by CNN (19.6%) and CNN with liver metastatic status (18.1%) than two (38.4%, 44.2%, p < 0.0001) but not a third radiologist (11.1%, p = 0.09). We conclude that in CRC, CNN in combination with liver metastatic status equaled expert radiologists in characterizing SHHN but with better diagnostic confidence.
Transition metals induce control of enhanced NLO properties of functionalized organometallic complexes under laser modulations
Authors: Taboukhat S. , Kichou N. , Fillaut J.-L. , Alévêque O. , Waszkowska K. , Zawadzka A. , El-Ghayoury A. , Migalska-Zalas A. , Sahraoui B. 
Published: September 2020

AbstractThe molecular engineering of organometallic complexes has recently attracted renewed interest on account of their potential technological applications for optoelectronics in general and optical data storage. The transition metal which induces control of enhanced nonlinear optical properties of functionalized organometallic complexes versus not only the intensity but also the polarization of the incident laser beam is original and important for all optical switching. This makes organometallic complexes valuable and suitable candidates for nonlinear optical applications. In the present work, we report the synthesis and full characterization of four organometallic complexes consisting of N, N-dibutylamine and azobenzene fragments but differ by auxiliary alkynyl ligands or metal cations. Thus, a ferrocenyl derivative 1 and three ruthenium complexes 2–4 have been prepared. The nonlinear optical properties of the four new azo-based ruthenium and iron organometallic complexes in the solid state, using polymethylmethacrylate as matrix, have been thoroughly studied. This concept is extended to computing the HOMO and LUMO energy levels of the considered complexes, dipole moment, first and second order hyperpolarizabilities using the 6–31 + G(d,p) + LANL2DZ mixed basis set. The second and third nonlinear optical properties of the resulting polymer composites were obtained by measuring SHG and THG response by means of the Maker fringe technique using a laser generating at 1,064 nm with a 30 ps pulse duration. The values of the second and third order NLO susceptibilities of the four organometallic complexes were found to be higher than the common references used. Theoretical calculation shows that the large first and second order hyperpolarizablities are caused by strong intramolecular charge transfer between the transition metal parts and the ligands though a conjugated transmitter. These results indicate that the present organometallic complexes are valuable candidates for optoelectronic and photonic applications.
Punica granatum L.-derived omega-5 nanoemulsion improves hepatic steatosis in mice fed a high fat diet by increasing fatty acid utilization in hepatocytes
Authors: Zamora-López K. , Noriega L. G. , Estanes-Hernández A. , Escalona-Nández I. , Tobón-Cornejo S. , Tovar A. R. , Barbero-Becerra V. , Pérez-Monter C. 
Published: September 2020

AbstractPomegranate seed oil (PSO) is mainly composed of punicic acid (PA), a polyunsaturated fatty acid also known as omega-5 (ω-5), a potent antioxidant associated with a variety of metabolic and cellular beneficial effects. However, the potential benefits of a nanoemulsified version of ω-5 (PSOn) have not been evaluated in a pathological liver condition. Here, we examined whether PSOn had beneficial effects on C57BL/6N mice fed a high-fat diet (HFD), specifically on hepatic steatosis. We observed that PSOn supplementation decreased body weight and body fat mass in control mice, whereas glucose intolerance, insulin resistance, energy expenditure, and hepatic steatosis were improved in both control mice and in mice fed a HFD. Interestingly, PSOn increased fatty acid oxidation in primary hepatocytes and antioxidant gene expression. Altogether, our data indicate that PSOn effectively reduces some of the HFD-derived metabolic syndrome indicators by means of an increase in fatty acid oxidation within hepatocytes.
The landscape of microsatellites in the enset (Ensete ventricosum) genome and web-based marker resource development
Authors: Biswas Manosh Kumar , Darbar Jaypal N. , Borrell James S. , Bagchi Mita , Biswas Dhiman , Nuraga Gizachew Woldesenbet , Demissew Sebsebe , Wilkin Paul , Schwarzacher Trude , Heslop-Harrison J. S. 
Published: September 2020

AbstractEnsete ventricosum (Musaceae, enset) is an Ethiopian food security crop. To realize the potential of enset for rural livelihoods, further knowledge of enset diversity, genetics and genomics is required to support breeding programs and conservation. This study was conducted to explore the enset genome to develop molecular markers, genomics resources, and characterize enset landraces while giving insight into the organization of the genome. We identified 233 microsatellites (simple sequence repeats, SSRs) per Mbp in the enset genome, representing 0.28% of the genome. Mono- and di-nucleotide repeats motifs were found in a higher proportion than other classes of SSR-motifs. In total, 154,586 non-redundant enset microsatellite markers (EMM) were identified and 40 selected for primer development. Marker validation by PCR and low-cost agarose gel electrophoresis revealed that 92.5% were polymorphic, showing a high PIC (Polymorphism Information Content; 0.87) and expected heterozygosity (He = 0.79–0.82). In silico analysis of genomes of closely related species showed 46.86% of the markers were transferable among enset species and 1.90% were transferable to Musa. The SSRs are robust (with basic PCR methods and agarose gel electrophoresis), informative, and applicable in measuring enset diversity, genotyping, selection and potentially breeding. Enset SSRs are available in a web-based database at https://enset-project.org/EnMom@base.html (or https://enset.aau.edu.et/index.html, downloadable from Figshare).
Effects of different social experiences on emotional state in mice
Authors: Krakenberg Viktoria , Siestrup Sophie , Palme Rupert , Kaiser Sylvia , Sachser Norbert , Richter S. Helene 
Published: September 2020

AbstractA comprehensive understanding of animals’ emotions can be achieved by combining cognitive, behavioural, and physiological measures. Applying such a multi-method approach, we here examined the emotional state of mice after they had made one of three different social experiences: either a mildly “adverse”, a “beneficial”, or a “neutral” experience. Using a recently established touchscreen paradigm, cognitive judgement bias was assessed twice, once before and once after the respective experience. Anxiety-like behaviour was examined using a standardised battery of behavioural tests and faecal corticosterone metabolite concentrations were measured. Surprisingly, only minor effects of the social experiences on the animals’ cognitive judgement bias and no effects on anxiety-like behaviour and corticosterone metabolite levels were found. It might be speculated that the experiences provided were not strong enough to exert the expected impact on the animals’ emotional state. Alternatively, the intensive training procedure necessary for cognitive judgement bias testing might have had a cognitive enrichment effect, potentially countering external influences. While further investigations are required to ascertain the specific causes underlying our findings, the present study adds essential empirical data to the so far scarce amount of studies combining cognitive, behavioural, and physiological measures of emotional state in mice.
Regional surface chlorophyll trends and uncertainties in the global ocean
Authors: Hammond Matthew L. , Beaulieu Claudie , Henson Stephanie A. , Sahu Sujit K. 
Published: September 2020

AbstractChanges in marine primary productivity are key to determine how climate change might impact marine ecosystems and fisheries. Satellite ocean color sensors provide coverage of global ocean chlorophyll with a combined record length of ~ 20 years. Coupled physical–biogeochemical models can inform on expected changes and are used here to constrain observational trend estimates and their uncertainty. We produce estimates of ocean surface chlorophyll trends, by using Coupled Model Intercomparison Project (CMIP5) models to form priors as a “first guess”, which are then updated using satellite observations in a Bayesian spatio-temporal model. Regional chlorophyll trends are found to be significantly different from zero in 18/23 regions, in the range ± 1.8% year−1. A global average of these regional trends shows a net positive trend of 0.08 ± 0.35% year−1, highlighting the importance of considering chlorophyll changes at a regional level. We compare these results with estimates obtained with the commonly used “vague” prior, representing no independent knowledge; coupled model priors are shown to slightly reduce trend magnitude and uncertainties in most regions. The statistical model used here provides a robust framework for making best use of all available information and can be applied to improve understanding of global change.
Tape stripping method is useful for the quantification of antimicrobial peptides on the human skin surface including the stratum corneum
Authors: Ono Shigeyuki , Eda Nobuhiko , Mori Takuya , Otsuka Atsuko , Nakamura Nobuhiro , Inai Yuto , Ota Noriyasu , Akama Takao 
Published: September 2020

AbstractAntimicrobial peptides (AMPs) play an important role in innate immunity in human skin. It is known that AMPs mainly function in the stratum corneum. Therefore, AMP concentrations in the stratum corneum need to be precisely measured to clarify functional and physiological importance of AMPs in cutaneous defence. Tape stripping (TS) is a well-established method by which components in the stratum corneum can be collected. However, the usefulness of the TS method for measuring AMP concentration in human skin remains unclear. Therefore, we compared it with another popular method, skin rinsing, which had been established as a method for measuring AMP concentration in human skin. When investigated on healthy medial forearm using RNase 7, which is one of the typical AMPs, as an index, there was a significant positive correlation between RNase 7 concentrations measured by the TS method at adjacent forearm sites, demonstrating the reproducibility of the TS method. Next, a significant positive correlation was detected in RNase 7 concentrations measured using the TS and the skin rinsing method, indicating that the TS method is comparable to the skin rinsing method. Thus, we speculate that the TS method is useful for measuring AMP concentration in human skin.
Air pollution impairs recovery and tissue remodeling in a murine model of acute lung injury
Authors: de Souza Xavier Costa Natália , Ribeiro Júnior Gabriel , dos Santos Alemany Adair Aparecida , Belotti Luciano , Schalch Alexandre Santos , Cavalcante Marcela Frota , Ribeiro Susan , Veras Mariana Matera , Kallás Esper Georges , Saldiva Paulo Hilário Nascimento , Dolhnikoff Marisa , Ferraz da Silva Luiz Fernando 
Published: September 2020

AbstractEvidence regarding the impact of air pollution on acute respiratory distress syndrome (ARDS) is limited, and most studies focus on ARDS onset. Our study aimed to evaluate whether exposure to fine particulate matter interferes with lung recovery and remodeling in a murine model of acute lung injury. Forty-eight mice received nebulized LPS or the vehicle (controls). Blood, BALF, lungs and spleen were collected after 5 weeks of exposure to either PM2.5 (PM and LPS + PM group) or filtered air (control and LPS5w groups). Inflammatory cells and cytokines were assessed in the blood, BALF, lungs and spleen. Stereological analyses and remodeling assessments were performed by histology. The LPS + PM group showed increased BALF leukocytes, characterized by increased macrophages, increased IL-1β and IL-6 levels, anemia and thrombocytopenia. Moreover, we also observed septal thickening, decreased alveolar air space total volume and, septa surface density. Finally, regarding tissue remodeling, we observed elastosis of the lung parenchyma, and unlike in the LPS5w group, we did not observe fibrosis in the LPS + PM group. In conclusion, the delayed inflammation resolution due to subchronic exposure to PM2.5 could be influenced by low systemic and local lymphocyte counts, which lead to impaired lung injury recovery and tissue remodeling.
How levelling and scan line corrections ruin roughness measurement and how to prevent it
Authors: Nečas David , Valtr Miroslav , Klapetek Petr 
Published: September 2020

AbstractSurface roughness plays an important role in various fields of nanoscience and nanotechnology. However, the present practices in roughness measurements, typically based on some Atomic Force Microscopy measurements for nanometric roughness or optical or mechanical profilometry for larger scale roughness significantly bias the results. Such biased values are present in nearly all the papers dealing with surface parameters, in the areas of nanotechnology, thin films or material science. Surface roughness, most typically root mean square value of irregularities Sq is often used parameter that is used to control the technologies or to link the surface properties with other material functionality. The error in estimated values depends on the ratio between scan size and roughness correlation length and on the way how the data are processed and can easily be larger than 10% without us noting anything suspicious. Here we present a survey of how large is the problem, detailed analysis of its nature and suggest methods to predict the error in roughness measurements and possibly to correct them. We also present a guidance for choosing suitable scan area during the measurement.