bluuebunny/crossref_metadata_2025 huggingface dataset:
Microscopic simulations of laboratory and interstellar ice structure and chemistry
Authors: Garrod Robin T. , Clements Aspen R.
Published: October 2020

We describe recent simulations of interstellar and laboratory ices using the 3-D, off-lattice microscopic Monte Carlo kinetics model MIMICK. The simulations indicate that interstellar ices are capable of achieving porous structures, dependent on physical conditions. In some cases, such structures may be filled as they are formed, by mobile/volatile species such as H2 that become trapped in those structures. Simulations of laboratory water-ice deposition using MIMICK suggest that an additional non-thermal diffusion mechanism is required to reproduce the high degree of porosity achieved for experimental ices at temperatures less than ~80 K. This mechanism is related to the deposition process itself. Simulations of temperature-programmed desorption of mixed molecular ices are ongoing. The interstellar models have also recently been developed to incorporate a full gas-phase chemistry, coupled with the grain-surface chemistry.
Photochemistry vs. radiation chemistry of cosmic ice analogs
Authors: Mullikin Ella , Hay Aurland , Anderson Hannah , O’Hern Natalie , Arumainayagam Chris
Published: October 2020

While gas-phase reactions and surface reactions on bare carbonaceous or siliceous dust grains contribute to cosmic chemistry, the energetic processing of cosmic ices via photochemistry and radiation chemistry is thought to be the dominant mechanism for the cosmic synthesis of prebiotic molecules. Because most previous laboratory astrochemical studies have used light sources that produce >10 eV photons and are, therefore, capable of ionizing cosmic ice analogs, discerning the role of photochemistry vs. radiation chemistry in astrochemistry is challenging. By using a source whose photon energy does not exceed 8 eV, we have studied ammonia and methanol cosmic ice reactions attributable solely to photochemistry. We compare these results to those obtained in the same ultrahigh vacuum chamber with 1 keV electrons which instead initiate radiation chemistry in cosmic ice analogs.
The Titan haze simulation experiment: Investigating Titan’s low-temperature atmospheric chemistry in a pulsed plasma jet expansion
Authors: O’Brien Ella Sciamma , Raymond Alexander W. , Dubois David , Mazur Eric , Salama Farid
Published: October 2020

The Titan Haze Simulation (THS) experiment is a unique experimental platform that allows to simulate Titan’s complex atmospheric chemistry at low Titan-like temperature by generating a plasma discharge in the stream of a plasma jet expansion. Both gas and solid phase products are generated and can be analyzed using different in-situ and ex-situ diagnostics. Here, we present an overall description of the work accomplished with the THS in the last 10 years, our current research efforts, and the important implications for the analysis of Cassini’s returned data and preparation for future Titan missions.
The Belgian Repository of fundamental Atomic data and Stellar Spectra (BRASS)
Authors: Laverick M. , Lobel A. , Royer P. , Merle T. , Martayan C. , van Hoof P. , Van der Swaelmen M. , David M. , Hensberge H. , Thienpont E.
Published: October 2020

The Belgian Repository of fundamental Atomic data and Stellar Spectra (BRASS) aims to provide one of the largest systematic and homogeneous quality assessment to date of literature atomic data required for stellar spectroscopy. By comparing state-of-the-art synthetic spectrum calculations with extremely high-quality observed benchmark spectra, we have critically evaluated fundamental atomic data, such as line wavelengths and oscillator strengths, for thousands of astrophysically-relevant transitions found in the literature and across several major atomic data repositories. These proceedings provide a short overview of the BRASS project to date, highlighting our recent efforts to investigate and quality-assess the atomic literature data pertaining to over a thousand atomic transitions present in FGK-type stellar spectra. BRASS provides all quality assessed data, theoretical spectra, and observed spectra in a new interactive database under development at brass.sdf.org.
Modelling the properties of interstellar dust using the Si K-edge
Authors: Zeegers Sascha , Costantini Elisa , Rogantini Daniele , Vries Cor de , Mutschke Harald , Groot Frank de , Tielens Alexander
Published: October 2020

The properties of interstellar dust (ID) can be studied in great detail by making use of X-ray spectroscopy techniques. The radiation of X-rays sources is scattered and absorbed by dust grains in the interstellar medium. The X-ray band is especially suitable to study silicates - one of the main components of ID -since it contains the absorption edges of Si, Mg, O and Fe. In the Galaxy, we can use absorption features in the spectra of X-ray binaries to study the size distribution, composition and crystalline structure of grains. In order to derive these properties, it is necessary to acquire a database of detailed extinction cross sections models, that reflects the composition of the dust in the interstellar medium. We present the extinction profiles of a set of newly acquired measurements of 14 dust analogues at the Soleil Synchrotron facility in Paris, where we focus on silicates and the Si-K edge in particular, which is modelled with unprecedented accuracy. These models are used to analyse ID in the dense environments of the Galaxy.
Deuteration of C60 on a highly oriented pyrolytic graphite surface
Authors: Pantazidis G. , Scheffler M. , Simonsen F. D. S. , Cassidy A. , Jensen P. A. , Hornekær L. , Thrower J. D.
Published: October 2020

Reactions on carbonaceous surfaces play an important role in processes such as H2 formation in the interstellar medium. We have investigated the adsorption of C2 molecules on a highly oriented pyrolytic graphite (HOPG) surface and then exposed them to a beam of deuterium atoms in order to investigate the formation of deuterated fullerenes. Scanning tunneling microscopy (STM) was used to probe the adsorbed molecules and their deuteration. Deuteration of C2 films results in increased thermal stability of the film, relative to films of pristine C2, along with an evolution towards higher deuterated species. The STM data provide confirmatory evidence for the formation of deuterated fullerene species.
Underground nuclear astrophysics experiment JUNA in China
Authors: WeiPing LIU , ZhiHong LI , JiangJun HE , XiaoDong TANG , Gang LIAN , Zhu An , JianJun Chang , LiHua Chen , Han Chen , QingHao Chen , XiongJun Chen , ZhiJun Chen , BaoQun Cui , XianChao Du , ChangBo Fu , Lin Gan , Bing Guo , GuoZhu He , Alexander Heger , SuQing Hou , HanXiong Huang , Ning Huang , BaoLu Jia , LiYang Jiang , Shigeru Kubono , JianMin Li , KuoAng Li , Tao Li , YunJu Li , Maria Lugaro , XiaoBing Luo , HongYi Ma , ShaoBo Ma , DongMing Mei , YongZhong Qian , JiuChang Qin , Jie Ren , YangPing Shen , Jun Su , LiangTing Sun , WanPeng Tan , Isao Tanihata , Shuo Wang , Peng Wang , YouBao Wang , Qi Wu , ShiWei Xu , ShengQuan Yan , LiTao Yang , Yao Yang , XiangQing Yu , Qian Yue , Sheng Zeng , HuanYu Zhang , Hui Zhang , LiYong Zhang , NingTao Zhang , QiWei Zhang , Tao Zhang , XiaoPeng Zhang , XueZhen Zhang , ZiMing Zhang , Wei Zhao , Zuo Zhao , Chao Zhou
Published: October 2020

Underground Nuclear Astrophysics in China (JUNA) will take the advantage of the ultra-low background in Jinping underground lab. High current accelerator with an ECR source and detectors were commissioned. JUNA plans to study directly a number of nuclear reactions important to hydrostatic stellar evolution at their relevant stellar energies. At the first period, JUNA aims at the direct measurements of 25Mg(p,γ)26 Al, 19F(p,α) 16 O, 13C(α, n) 16O and 12C(α,γ) 16O near the Gamow window. The current progress of JUNA will be given.
Laboratory astrophysics for the interpretation of stellar spectra
Authors: Heiter Ulrike
Published: October 2020

High-resolution stellar spectra are important tools for studying the chemical evolution of the Milky Way Galaxy, tracing the origin of chemical elements, and characterizing planetary host stars. Large amounts of data have been accumulating, in particular in the optical and infrared wavelength regions. The observed spectral lines are interpreted using model spectra that are calculated based on transition data for numerous species, in particular neutral and singly ionized atoms. We rely heavily on the continuous activities of laboratory astrophysics groups that produce high-quality experimental and theoretical atomic data for the relevant transitions. We give examples for the precision with which the chemical composition of stars observed by different surveys can be determined, and discuss future needs from laboratory astrophysics.
Brittle Deformation of Carbonated Peridotite—Insights From Listvenites of the Samail Ophiolite (Oman Drilling Project Hole BT1B)
Authors: Menzel Manuel D. , Urai Janos L. , de Obeso Juan Carlos , Kotowski Alissa , Manning Craig E. , Kelemen Peter B. , Kettermann Michael , Jesus Ana P. , Harigane Yumiko ,   the Oman Drilling Project Phase 1 Science Team
Published: October 2020

Hole BT1B of the Oman Drilling Project provides a continuous sampling from listvenite into the metamorphic sole that preserves the deformation, hydration, and carbonation processes of oceanic mantle peridotite at the base of the Samail ophiolite, Oman. We present evidence of multistage brittle deformation in listvenites and serpentinites based on field observations, visual core logging and petrography. About 10 vol% of listvenite and serpentinite in Hole BT1B is composed of cataclasite bands. Cataclasites contain lithic clasts of listvenite with spheroidal, zoned magnesite and quartz, and fragments of chalcedony‐carbonate veins that elsewhere crosscut listvenite—showing that cataclasis postdates listvenite formation. Locally the cataclasites are reworked and cut by thin, sharp faults, pointing to repeated reactivation of brittle structures. SEM‐EDS mapping shows that cataclasis was related to dissolution of carbonate and/or silica cementation. Dolomite veins crosscut cataclasites and breccias, suggesting that part of the Ca gain in BT1B is related to late fluids after listvenite formation. These results indicate a multistage tectonic overprint after peridotite carbonation and listvenite formation, which may be related to the tectonic history of the deformed continental margin under the ophiolite. These relatively late brittle structures should be excluded when trying to understand the carbonation of peridotite to listvenite.
Dynamic Upwelling Beneath the Salton Trough Imaged With Teleseismic Attenuation Tomography
Authors: Byrnes Joseph S. , Bezada Maximiliano
Published: October 2020

The Salton Trough is one of the few regions on Earth where rifting is subaerial instead of submarine. We use the relative attenuation of teleseismic P phases recorded by the Salton Trough Seismic Imaging Project to investigate lithospheric and asthenospheric structures that form during extension. Map‐view analysis reveals stronger attenuation within the Salton Trough than in the adjacent provinces. We then construct tomographic models for variations in seismic attenuation with depth to discriminate between crustal and mantle signals with a damped least squares approach and a Bayesian approach. Synthetic tests show that models from damped least squares significantly underestimate the strength of attenuation and cannot separate crustal and mantle signals even if the tomographic models are allowed to be discontinuous at the lithosphere‐asthenosphere boundary (LAB). We show that a Bayesian approach overcomes these problems when inverting the same synthetic data sets and that shallow and deep signals are more clearly separated when imposing a discontinuity. With greater than 95% confidence, the results reveal first, that attenuation occurs primarily beneath the LAB; second, that the width of the attenuative region is narrower than the rift at 120 km depth; and third, that the strength of attenuation requires that the attenuative feature represents a melting‐column similar to those beneath mid‐ocean ridges. The narrow width of the melting column below the volatile‐free solidus is inconsistent with models for passive upwelling, where flow is driven only by rifting. Instead, we attribute the generation of incipient oceanic crust to mantle upwelling focused by buoyancy into a narrow diapir.
Cannabinoid CB1 receptor agonist ACEA alleviates brain ischemia/reperfusion injury via CB1–Drp1 pathway
Authors: Yang Shuai , Hu Bin , Wang Zongming , Zhang Changming , Jiao Haosen , Mao Zhigang , Wei Liguang , Jia Ji , Zhao Jingling
Published: October 2020

Activation of the cannabinoid CB1 receptor induces neuroprotection against brain ischemia/reperfusion injury (IRI); however, the mechanism is still unknown. In this study, we used oxygen-glucose deprivation/reoxygenation (OGD/R)-induced injury in neuronal cells and middle cerebral artery occlusion (MCAO)-induced brain IRI in rats to mimic ischemic brain injury, and hypothesized that the CB1 receptor agonist arachidonyl-2-chloroethylamide (ACEA) would protect ischemic neurons by inhibiting mitochondrial fission via dynamin-related protein 1 (Drp1). We found that OGD/R injury reduced cell viability and mitochondrial function, increased lactate dehydrogenase (LDH) release, and increased cell apoptosis, and mitochondrial fission. Notably, ACEA significantly abolished the OGD/R-induced neuronal injuries described above. Similarly, ACEA significantly reversed MCAO-induced increases in brain infarct volume, neuronal apoptosis and mitochondrial fission, leading to the recovery of neurological functions. The neuroprotective effects of ACEA were obviously blocked by coadministration of the CB1 receptor antagonist AM251 or by the upregulation of Drp1 expression, indicating that ACEA alleviates brain IRI via the CB1–Drp1 pathway. Our findings suggest that the CB1 receptor links aberrant mitochondrial fission to brain IRI, providing a new therapeutic target for brain IRI treatment.
Vaginal microbiota and human papillomavirus infection among young Swedish women
Authors: Cheng Liqin , Norenhag Johanna , Hu Yue O. O. , Brusselaers Nele , Fransson Emma , Ährlund-Richter Andreas , Guðnadóttir Unnur , Angelidou Pia , Zha Yinghua , Hamsten Marica , Schuppe-Koistinen Ina , Olovsson Matts , Engstrand Lars , Du Juan
Published: October 2020

Human papillomavirus (HPV) infection is one of the most common sexually transmitted diseases. To define the HPV-associated microbial community among a high vaccination coverage population, we carried out a cross-sectional study with 345 young Swedish women. The microbial composition and its association with HPV infection, including 27 HPV types, were analyzed. Microbial alpha-diversity was found significantly higher in the HPV-infected group (especially with oncogenic HPV types and multiple HPV types), compared with the HPV negative group. The vaginal microbiota among HPV-infected women was characterized by a larger number of bacterial vaginosis-associated bacteria (BVAB), Sneathia, Prevotella, and Megasphaera. In addition, the correlation analysis demonstrated that twice as many women with non-Lactobacillus-dominant vaginal microbiota were infected with oncogenic HPV types, compared with L. crispatus-dominated vaginal microbiota. The data suggest that HPV infection, especially oncogenic HPV types, is strongly associated with a non-Lactobacillus-dominant vaginal microbiota, regardless of age and vaccination status.
Seasonal variations in PM10 inorganic composition in the Andean city
Authors: Zalakeviciute Rasa , Alexandrino Katiuska , Rybarczyk Yves , Debut Alexis , Vizuete Karla , Diaz Maria
Published: October 2020

Particulate matter (PM) is one of the key pollutants causing health risks worldwide. While the preoccupation for increased concentrations of these particles mainly depends on their sources and thus chemical composition, some regions are yet not well investigated. In this work the composition of chemical elements of atmospheric PM10 (particles with aerodynamic diameters ≤ 10 µm), collected at the urban and suburban sites in high elevation tropical city, were chemically analysed during the dry and wet seasons of 2017–2018. A large fraction (~ 68%) of PM10 composition in Quito, Ecuador is accounted for by water-soluble ions and 16 elements analysed using UV/VIS spectrophotometer and Inductively Coupled Plasma—Optical Emission Spectroscopy (ICP-OES). Hierarchical clustering analysis was performed to study a correlation between the chemical composition of urban pollution and meteorological parameters. The suburban area displays an increase in PM10 concentrations and natural elemental markers during the dry (increased wind intensity, resuspension of soil dust) season. Meanwhile, densely urbanized area shows increased total PM10 concentrations and anthropogenic elemental markers during the wet season, which may point to the worsened combustion and traffic conditions. This might indicate the prevalence of cardiovascular and respiratory problems in motorized areas of the cities in the developing world.
Agasicles hygrophila attack increases nerolidol synthase gene expression in Alternanthera philoxeroides, facilitating host finding
Authors: Wang Yuanxin , Liu Yanhong , Wang Xingchun , Jia Dong , Hu Jun , Gao Ling-Ling , Ma Ruiyan
Published: October 2020

Herbivorous insects use plant volatile compounds to find their host plants for feeding and egg deposition. The monophagous beetle Agasicles hygrophila uses a volatile (E)-4,8-dimethyl-1,3,7-nonanetriene (DMNT) to recognize its host plant Alternanthera philoxeroides. Alternanthera philoxeroides releases DMNT in response to A. hygrophila attack and nerolidol synthase (NES) is a key enzyme in DMNT biosynthesis; however, the effect of A. hygrophila on NES expression remains unclear. In this study, the A. philoxeroides transcriptome was sequenced and six putative NES genes belonging to the terpene synthase-g family were characterized. The expression of these NES genes was assayed at different times following A. hygrophila contact, feeding or mechanical wounding. Results showed that A. hygrophila contact and feeding induced NES expression more rapidly and more intensely than mechanical wounding alone. This may account for a large release of DMNT following A. hygrophila feeding in a previous study and subsequently facilitate A. hygrophila to find host plants. Our research provides a powerful genetic platform for studying invasive plants and lays the foundation for further elucidating the molecular mechanisms of the interaction between A. philoxeroides and its specialist A. hygrophila.
Defect-assisted synthesis of magneto-plasmonic silver-spinel ferrite heterostructures in a flower-like architecture
Authors: Sanna Angotzi Marco , Mameli Valentina , Cara Claudio , Grillo Vincenzo , Enzo Stefano , Musinu Anna , Cannas Carla
Published: October 2020

Artificial nano-heterostructures (NHs) with controlled morphology, obtained by combining two or more components in several possible architectures, make them suitable for a wide range of applications. Here, we propose an oleate-based solvothermal approach to design silver-spinel ferrite flower-like NHs. Small oleate-coated silver nanoparticles were used as seeds for the growth of magnetic spinel ferrite (cobalt ferrite and spinel iron oxide) nanodomains on their surface. With the aim of producing homogeneous flower-like heterostructures, a careful study of the effect of the concentration of precursors, the reaction temperature, the presence of water, and the chemical nature of the spinel ferrite was carried out. The magnetic and optical properties of the NHs were also investigated. A heterogeneous growth of the spinel ferrite phase on the silver nanoparticles, through a possible defect-assisted mechanism, was suggested in the light of the high concentration of stacking faults (intrinsic and twins) in the silver seeds, revealed by Rietveld refinement of powder X-ray diffraction patterns and High-Resolution electron microscopy.
OSERR: an open-source standalone electrophysiology recording system for rodents
Authors: Cheng Ning , Murari Kartikeya
Published: October 2020

Behavioral assessment of rodents is critical for investigation of brain function in health and disease. In vivo neurophysiological recordings are powerful tools to mechanistically dissect neural pathways that underlie behavioral changes, and serve as markers for dynamics, efficacy and safety of potential therapeutic approaches. However, most in vivo recording systems require tethers or telemetry receivers, limiting their compatibility with some behavioral tests. Here, we developed an open-source standalone electrophysiology recording system for rodents (OSERR). It is a tether-free, standalone recording device with two channels, a reference and a ground, that acquires, amplifies, filters and stores data all in itself. Thus, it does not require any cable or receiver. It is also compact and light-weight, and compatible with juvenile mice, as well as multiple recording modalities and standard electrode implantation methods. In addition, we provide the complete design of hardware, and software for operation. As an example, we demonstrated that this standalone system, when configured with a bandwidth of 1–120 Hz and gain of 1000, successfully collected EEG signals during induced seizure, extended recording, anesthesia, and social interactions in mice. The design of this system is practical, economical, and freely available. Thus, this system could enable recording of brain activity during diverse behavioral assays in a variety of arenas and settings, and allow simultaneous recordings from multiple subjects to examine social behaviors. Importantly, with the open-source documentation, researchers could customize the design of the system to their specific needs.
Machine learning identifies abnormal Ca2+ transients in human induced pluripotent stem cell-derived cardiomyocytes
Authors: Hwang Hyun , Liu Rui , Maxwell Joshua T. , Yang Jingjing , Xu Chunhui
Published: October 2020

Human-induced pluripotent stem cell-derived cardiomyocytes (hiPSC-CMs) provide an excellent platform for potential clinical and research applications. Identifying abnormal Ca2+ transients is crucial for evaluating cardiomyocyte function that requires labor-intensive manual effort. Therefore, we develop an analytical pipeline for automatic assessment of Ca2+ transient abnormality, by employing advanced machine learning methods together with an Analytical Algorithm. First, we adapt an existing Analytical Algorithm to identify Ca2+ transient peaks and determine peak abnormality based on quantified peak characteristics. Second, we train a peak-level Support Vector Machine (SVM) classifier by using human-expert assessment of peak abnormality as outcome and profiled peak variables as predictive features. Third, we train another cell-level SVM classifier by using human-expert assessment of cell abnormality as outcome and quantified cell-level variables as predictive features. This cell-level SVM classifier can be used to assess additional Ca2+ transient signals. By applying this pipeline to our Ca2+ transient data, we trained a cell-level SVM classifier using 200 cells as training data, then tested its accuracy in an independent dataset of 54 cells. As a result, we obtained 88% training accuracy and 87% test accuracy. Further, we provide a free R package to implement our pipeline for high-throughput CM Ca2+ analysis.
The role of selection in the evolution of marine turtles mitogenomes
Authors: Ramos Elisa Karen da Silva , Freitas Lucas , Nery Mariana F.
Published: October 2020

Sea turtles are the only extant chelonian representatives that inhabit the marine environment. One key to successful colonization of this habitat is the adaptation to different energetic demands. Such energetic requirement is intrinsically related to the mitochondrial ability to generate energy through oxidative phosphorylation (OXPHOS) process. Here, we estimated Testudines phylogenetic relationships from 90 complete chelonian mitochondrial genomes and tested the adaptive evolution of 13 mitochondrial protein-coding genes of sea turtles to determine how natural selection shaped mitochondrial genes of the Chelonioidea clade. Complete mitogenomes showed strong support and resolution, differing at the position of the Chelonioidea clade in comparison to the turtle phylogeny based on nuclear genomic data. Codon models retrieved a relatively increased dN/dS (ω) on three OXPHOS genes for sea turtle lineages. Also, we found evidence of positive selection on at least three codon positions, encoded by NADH dehydrogenase genes (ND4 and ND5). The accelerated evolutionary rates found for sea turtles on COX2, ND1 and CYTB and the molecular footprints of positive selection found on ND4 and ND5 genes may be related to mitochondrial molecular adaptation to stress likely resulted from a more active lifestyle in sea turtles. Our study provides insight into the adaptive evolution of the mtDNA genome in sea turtles and its implications for the molecular mechanism of oxidative phosphorylation.
After the lockdown: simulating mobility, public health and economic recovery scenarios
Authors: Spelta Alessandro , Flori Andrea , Pierri Francesco , Bonaccorsi Giovanni , Pammolli Fabio
Published: October 2020

The spread of SARS-COV-2 has affected many economic and social systems. This paper aims at estimating the impact on regional productive systems in Italy of the interplay between the epidemic and the mobility restriction measures put in place to contain the contagion. We focus then on the economic consequences of alternative lockdown lifting schemes. We leverage a massive dataset of human mobility which describes daily movements of over four million individuals in Italy and we model the epidemic spreading through a metapopulation SIR model, which provides the fraction of infected individuals in each Italian district. To quantify economic backslashes this information is combined with socio-economic data. We then carry out a scenario analysis to model the transition to a post-lockdown phase and analyze the economic outcomes derived from the interplay between (a) the timing and intensity of the release of mobility restrictions and (b) the corresponding scenarios on the severity of virus transmission rates. Using a simple model for the spreading disease and parsimonious assumptions on the relationship between the infection and the associated economic backlashes, we show how different policy schemes tend to induce heterogeneous distributions of losses at the regional level depending on mobility restrictions. Our work shed lights on how recovery policies need to balance the interplay between mobility flows of disposable workers and the diffusion of contagion.
Genetic regulation of gene expression of MIF family members in lung tissue
Authors: Florez-Sampedro Laura , Brandsma Corry-Anke , de Vries Maaike , Timens Wim , Bults Rene , Vermeulen Cornelis J. , van den Berge Maarten , Obeidat Ma’en , Joubert Philippe , Nickle David C. , Poelarends Gerrit J. , Faiz Alen , Melgert Barbro N.
Published: October 2020

Macrophage migration inhibitory factor (MIF) is a cytokine found to be associated with chronic obstructive pulmonary disease (COPD). However, there is no consensus on how MIF levels differ in COPD compared to control conditions and there are no reports on MIF expression in lung tissue. Here we studied gene expression of members of the MIF family MIF, D-Dopachrome Tautomerase (DDT) and DDT-like (DDTL) in a lung tissue dataset with 1087 subjects and identified single nucleotide polymorphisms (SNPs) regulating their gene expression. We found higher MIF and DDT expression in COPD patients compared to non-COPD subjects and found 71 SNPs significantly influencing gene expression of MIF and DDTL. Furthermore, the platform used to measure MIF (microarray or RNAseq) was found to influence the splice variants detected and subsequently the direction of the SNP effects on MIF expression. Among the SNPs found to regulate MIF expression, the major LD block identified was linked to rs5844572, a SNP previously found to be associated with lower diffusion capacity in COPD. This suggests that MIF may be contributing to the pathogenesis of COPD, as SNPs that influence MIF expression are also associated with symptoms of COPD. Our study shows that MIF levels are affected not only by disease but also by genetic diversity (i.e. SNPs). Since none of our significant eSNPs for MIF or DDTL have been described in GWAS for COPD or lung function, MIF expression in COPD patients is more likely a consequence of disease-related factors rather than a cause of the disease.
Smart filtering of phase residues in noisy wrapped holograms
Authors: Tayebi Behnam , Sharif Farnaz , Han Jae-Ho
Published: October 2020

Phase unwrapping is one of the major challenges in multiple branches of science that extract three-dimensional information of objects from wrapped signals. In several applications, it is important to extract the unwrapped information with minimal signal resolution degradation. However, most of the denoising techniques for unwrapping are designed to operate on the entire phase map to remove a limited number of phase residues, and therefore they significantly degrade critical information contained in the image. In this paper, we present a novel, smart, and automatic filtering technique for locally minimizing the number of phase residues in noisy wrapped holograms, based on the phasor average filtering (PAF) of patches around each residue point. Both patch sizes and PAF filters are increased in an iterative algorithm to minimize the number of residues and locally restrict the artifacts caused by filtering to the pixels around the residue pixels. Then, the improved wrapped phase can be unwrapped using a simple phase unwrapping technique. The feasibility of our method is confirmed by filtering, unwrapping, and enhancing the quality of a noisy hologram of neurons; the intensity distribution of the spatial frequencies demonstrates a 40-fold improvement, with respect to previous techniques, in preserving the higher frequencies.
A scoping review of research funding for small-scale farmers in water scarce regions
Authors: Ricciardi Vincent , Wane Abdrahmane , Sidhu Balsher Singh , Godde Cecile , Solomon Divya , McCullough Ellen , Diekmann Florian , Porciello Jaron , Jain Meha , Randall Nicola , Mehrabi Zia
Published: October 2020

Water scarcity is a global issue that disproportionately affects small-scale farmers in low- and middle-income countries (LMICs). Through geospatial analysis, we estimated that less than 37% of small-scale farms probably have irrigation in water scarce regions across LMICs, compared with 42% of non-small-scale farms. Through a literature synthesis assisted by machine learning, we then systematically mapped the existing research for on-farm interventions that improve the incomes or yields of small-scale farmers in water scarce regions. We mapped over 888 on-farm interventions used to combat water scarcity from 560 publications and showed a research bias towards yields rather than livelihoods. We found gaps in evidence for many commonly proposed solutions, including livestock management, digital technology and solutions to protect natural resources at the farm-level, such as buffer strips. Our findings can be used to set a funding agenda for research on the geographies that are most at risk of water scarcity and the interventions that most lack evidence.
Effects of native defects and cerium impurity on the monoclinic BiVO4 photocatalyst obtained via PBE+U calculations
Authors: Zhang Jihua , Chen Xia , Deng MingSen , Shen Hujun , Li Hang , Ding Jianwen
Published: October 2020

Under O-rich conditions, during the substitution of V by Ce in the single negatively charged state (Ce1−V) for m-BiVO4, no localized state is found within the calculated band gap so as to improve photocatalysis.
Theoretical study on the interaction of iodide electrolyte/organic dye with the TiO2 surface in dye-sensitized solar cells
Authors: Hailu Yohannes Mulugeta , Nguyen Minh Tho , Jiang Jyh-Chiang
Published: October 2020

The iodide/triiodide interaction with the dye on a semiconductor surface plays a significant role in understanding the dye-sensitized solar cells (DSSCs) mechanism and improving its efficiency.
π-Orbital Yin–Yang Kagome bands in anilato-based metal–organic frameworks
Authors: Ni Xiaojuan , Zhou Yinong , Sethi Gurjyot , Liu Feng
Published: October 2020

π-Orbital Yin–Yang Kagome bands consisting of two flat bands with opposite Chern numbers have been disclosed in anilato-based metal–organic frameworks.
Half-filled intermediate bands in doped inorganic perovskites for solar cells
Authors: Ma Xinbo , Li Zhenyu
Published: October 2020

Robustly half-filled intermediate bands in perovskites are predicted to be realized by s-orbital doping.
2D van der Waals heterostructures of graphitic BCN as direct Z-scheme photocatalysts for overall water splitting: the role of polar π-conjugated moieties
Authors: Wang Zhijie , Luo Zhibo , Li Jia , Yang Kang , Zhou Gang
Published: October 2020

A principle diagram of BC3/C3N and BC3/BC6N heterostructures immobilized by π–π stacking as direct Z-scheme photocatalysts for water splitting.
On the ligand-free palladium cluster catalysed Suzuki–Miyaura reaction
Authors: Prasad Reddy K. S. S. V. , Deshpande Parag A.
Published: October 2020

DFT explains the activity of three- and four-atom palladium clusters for Suzuki–Miyaura coupling of bromobenzene and phenylboronic acid.
H-shaped oxalate-bridging lanthanoid-incorporated arsenotungstates
Authors: Chen Hanhan , Xiao Zikang , Yan Bing , Wu Hechen , Ma Pengtao , Wang Jingping , Niu Jingyang
Published: October 2020

A series of oxalate-bridging di-Ln3+-incorporated H-shaped polyoxometalates were synthesized and their stability in solution was evidenced by Raman spectroscopy.
An approach to estimate the barrier height for magnetisation reversal in {Dy2} SMMs using ab initio calculations
Authors: Dey Sourav , Rajaraman Gopalan
Published: October 2020

A model equation to relate the computed barrier to experimental Ueff for {Dy2} has been proposed. This offers a way to estimate a reliable value Ueff values using ab initio calculations using X-ray structure as the only input.
The synthesis and versatile reducing power of low-valent uranium complexes
Authors: Boreen Michael A. , Arnold John
Published: October 2020

This synthesis and diverse reactivity of uranium(iii) and uranium(ii) complexes is discussed.
Ruthenium nitrosyl complexes with the molecular framework [RuII(dmdptz)(bpy)(NO)]n+ (dmdptz: N,N-dimethyl-4,6-di(pyridin-2-yl)-1,3,5-triazin-2-amine and bpy: 2,2′-bipyridine). Electronic structure, reactivity aspects, photorelease, and scavenging of NO
Authors: Giri Bishnubasu , Kumbhakar Sadananda , Selvan K Kalai , Muley Arabinda , Maji Somnath
Published: October 2020

Two ruthenium nitrosyl complexes have been stabilized both in {Ru–NO}6 and {Ru–NO}7 configurations which show facile photocleavage of Ru–NO bond on exposure to visible light. The photo liberated NO is captured by reduced myoglobin.
Transition metal catalyzed glycosylation reactions – an overview
Authors: Bauer Eike B.
Published: October 2020

An overview of transition metal catalyzed glycosylation reactions is presented and the main trends in reactivity are discussed.
A facile synthesis of an Fe/N-doped ultrathin carbon sheet for highly efficient oxygen reduction reaction
Authors: Zhao Pingping , Mou Qiuxiang , Liu Xinghai , Li Houbin , Cheng Gongzhen
Published: October 2020

Fe/N-Doped ultrathin carbon sheet was synthesized. Fe3C/NC-800 exhibited an outstanding behavior toward ORR catalysis with a catalyst loading of 150 μg cm−2, which surpassed most of the non-precious metal electrocatalysts reported.
Regioselective and stereoselective cleavages of P–S/C–S bonds by lithium and the formation of P-stereogenic functional phosphine derivatives
Authors: Wang Xiao-Ning , Li Zhan-Cai , Zhang Yu , Yan Bing-Xia , Zheng Hong-Xing , Li Qiang , Zhao Chang-Qiu
Published: October 2020

Various menthyl-containing phosphinothioates were prepared.
Assessing the compatibility of primary human hepatocyte culture within porous silk sponges
Authors: Kukla David A. , Stoppel Whitney L. , Kaplan David L. , Khetani Salman R.
Published: October 2020

Porous silk scaffolds hybridized with extracellular matrix proteins are useful for culture of primary human hepatocytes ± supportive non-parenchymal cells.
Undergraduate chemistry instructors’ perspectives on their students’ metacognitive development
Authors: Heidbrink Amber , Weinrich Melissa
Published: October 2020

Metacognition is an important skill for undergraduate chemistry students, but there has been scant research investigating chemistry instructors’ perspectives of metacognition and the development of their students’ metacognition. Since undergraduate instructors have a wide influence over what happens in their courses, it is crucial to investigate their understanding of metacognition, and discern whether they value metacognitive development for their students. This qualitative interview study explored the perspectives of seventeen chemistry instructors who taught chemistry at the college level from six different institutions across Colorado. The interviews were coded deductively according to Zohar and Dori's definitions of metacognitive knowledge and metacognitive skills, and inductively for themes through reflexive thematic analysis. These interviews provided a window into these instructors’ personal pedagogical content knowledge (pPCK) and how it influenced their enacted pedagogical content knowledge (ePCK) in relation to their students’ metacognition development. The results include a discussion of how these chemistry instructors valued their students’ metacognition, how they currently develop their students’ metacognition, and their suggestions for improving the development of metacognition in undergraduate chemistry education. Based on the results of this analysis, activities that indirectly target students’ metacognition may be more easily adopted by instructors, and more explicit awareness may be beneficial.
Polymeric carbon nitride coupled with a molecular thiomolybdate catalyst: exciton and charge dynamics in light-driven hydrogen evolution
Authors: Rajagopal Ashwene , Akbarzadeh Elham , Li Chunyu , Mitoraj Dariusz , Krivtsov Igor , Adler Christiane , Diemant Thomas , Biskupek Johannes , Kaiser Ute , Im Changbin , Heiland Magdalena , Jacob Timo , Streb Carsten , Dietzek Benjamin , Beranek Radim
Published: October 2020

Molecular thiomolybdate catalyst improves the charge separation in polymeric carbon nitride photocatalysts and catalyzes light-driven hydrogen evolution.
Ti3C2 MXene as an “energy band bridge” to regulate the heterointerface mass transfer and electron reversible exchange process for Li–S batteries
Authors: Hou Ruohan , Zhang Shijie , Zhang Peng , Zhang Yongshang , Zhang Xilai , Li Neng , Shi Zuhao , Shao Guosheng
Published: October 2020

The creation of TiO2–MXene heterojunction accelerates mass transfer in the electrochemical process, and MXene regulates electron exchange at the heterointerface. The electrospun heterojunction conductive networks can effectively improve Li–S battery performance.
Flexible and additive-free organic electrodes for aqueous sodium ion batteries
Authors: Yang Liping , Wang Pengyuan , Zhang Shangwei , Wang Yuanhao , Zang Ling , Zhu Hui , Yin Jiao , Yang Hui Ying
Published: October 2020

Organic materials with redox activities are promising candidates for aqueous flexible sodium ion storage devices (AFSISDs) due to their mechanical flexibility and low dissolution in aqueous electrolytes.
Group IV nanodots: synthesis, surface engineering and application in bioimaging and biotherapy
Authors: Xu Yaxin , Li Peipei , Cheng Dan , Wu Cuiyan , Lu Qiujun , Yang Weipeng , Zhu Xiaohua , Yin Peng , Liu Meiling , Li Haitao , Zhang Youyu
Published: October 2020

A timeline for C, Si, Ge NDs, showing the development of synthesis, functionalization, bioimaging, and therapy.
Growing tool-kit of photosensitizers for clinical and non-clinical applications
Authors: Das Suman , Tiwari Manisha , Mondal Devanjan , Sahoo Bikash Ranjan , Tiwari Dhermendra K.
Published: October 2020

Photosensitizers are photosensitive molecules utilized in clinical and non-clinical applications by taking advantage of light-mediated reactive oxygen generation, which triggers local and systemic cellular toxicity.
Bismuth activated high thermal stability blue-emitting phosphor Na2Y2B2O7:Bi used for near-UV white-light LEDs
Authors: Wu Sheng , Xiong Puxian , Liu Xiaoqi , Fu Yubin , Liu Quan , Peng Mingying , Chen Yan , Ma Zhijun
Published: October 2020

Bismuth activated blue-emitting phosphor Na2Y2B2O7:Bi used for near-UV white-light LEDs.
Probing of breast cancer using a combination of plasma and urinary circulating cell-free DNA
Authors: Zuo Zhigang , Tang Jiying , Cai Xiaojun , Ke Feng , Shi Zhenzong
Published: October 2020

Monitoring of early-stage breast cancer is critical in promptly addressing disease relapse. Circulating cell-free DNA provides a minimally invasive and sensitive means to probing the disease. In a longitudinal analysis of 250 patients with early breast cancer, we compared the circulating cell-free DNA recovered from both plasma and urine specimens. For comparison, 50 healthy controls were also recruited. Specific mutations associated with the disease were profiled to determine the clinical sensitivity and specificity. Correlations of recovered concentrations of cell-free DNA with outcomes were examined to address early prognostication. PIK3CA mutation profiling in both plasma and urinary cell-free DNA showed an agreement of 97.2% compared with the results obtained for tumor tissues. The analysis of healthy controls revealed that cell-free DNA measurements were stable and consistent over time. Over the short 6-month period of monitoring, our analyses showed declines in recovered cell-free DNA; these findings may aid physicians in stratifying patients at higher risk for relapse. Similar results were observed in both plasma and urine specimens (hazard ratios: 2.16 and 2.48, respectively). Cell-free DNA presents a novel and sensitive method for the monitoring of early-stage breast cancer. In the present study, serial measurements of both plasma and urine specimens were useful in probing the disease.
The ExoMolOP database: Cross sections andk-tables for molecules of interest in high-temperature exoplanet atmospheres
Authors: Chubb Katy L. , Rocchetto Marco , Yurchenko Sergei N. , Min Michiel , Waldmann Ingo , Barstow Joanna K. , Mollière Paul , Al-Refaie Ahmed F. , Phillips Mark W. , Tennyson Jonathan
Published: October 2020

Here we present a publicly available database of opacities for molecules of astrophysical interest named ExoMolOP that has been compiled for over 80 species, and is based on the latest line list data from the ExoMol, HITEMP, and MoLLIST databases. These data are generally suitable for characterising high-temperature exoplanet or cool stellar and substellar atmospheres, and have been computed at a variety of pressures and temperatures, with a few molecules included at room temperature only from the HITRAN database. The data are formatted in different ways for four different exoplanet atmosphere retrieval codes; ARCiS, TauREx, NEMESIS, and petitRADTRANS, and include both cross sections (atR=λ/Δλ= 15000) andk-tables (atR=λ/Δλ= 1000) for the 0.3–50μm wavelength region. Opacity files can be downloaded and used directly for these codes. Atomic data for alkali metals Na and K are also included, using data from the NIST database and the latest line shapes for the resonance lines. Broadening parameters have been taken from the literature where available, or have been estimated from the parameters of a known molecule with similar molecular properties where no broadening data are available.
uGMRT HI 21-cm absorption observations of two extremely inverted spectrum sources
Authors: Mhaskey Mukul , Paul Surajit , Gupta Neeraj , Mukherjee Dipanjan , Gopal-Krishna
Published: October 2020

We report the detection of HI 21-cm absorption in a member of the rare and recently discovered class of compact radio sources: extremely inverted spectrum extragalactic radio sources (EISERS). The EISERS conceivably form a special subclass of the inverted spectrum radio galaxies since the spectral index of the optically thick part of the spectrum for these sources crosses the synchrotron self-absorption limit ofα = +2.5 (S(ν) ∝να). We searched for HI absorption in two EISERS using the recently upgraded Giant Metrewave Radio Telescope (uGMRT) and detected an absorption feature in one of them. The strong associated HI absorption detected against the source J1209−2032 (z= 0.4040) implies an optical depth of 0.178 ± 0.02, corresponding to an HI column density of 34.8 ± 2.9 × 1020cm−2, for an assumed HI spin temperature of 100 K and covering factor of 1. This is among the highest known optical depth and HI column densities found for compact radio sources of peaked spectrum type and supports the free-free absorption model for the steeply inverted radio spectrum of this source. For the other source, J1549+5038 (z= 2.171), no HI absorption was detected in our observations.
Differential rotation of the solar corona: A new data-adaptive multiwavelength approach
Authors: Mancuso S. , Giordano S. , Barghini D. , Telloni D.
Published: October 2020

Context. The characterization of the differential rotation of the extended corona is still lacking conclusive results about the actual rotation rate profiles, and it is also expected to vary along the solar cycle. While some studies supported the quasi-rigidity of coronal rotation, others have found evidence of differential rotation to occur.

Aims. For the purpose of investigating the differential rotation of the solar corona, we analyzed ultraviolet (UV) spectral line observations acquired on both the east and west limbs at 1.7 R⊙ by the Ultraviolet Coronagraph Spectrometer (UVCS) on-board the Solar and Heliospheric Observatory during the solar minimum preceding solar cycle 23. To obtain a reliable and statistically robust picture of the rotational profile, we used a set of simultaneous 400 day long spectral line intensities of five different spectral lines: O VI 1032 Å, O VI 1037 Å, Si XII 499 Å, Si XII 521 Å, and H I Lyα 1216 Å, which are routinely observed by UVCS.

Methods. The data were analyzed by means of two different techniques: the generalized Lomb-Scargle periodogram and a multivariate data-adaptive technique called multichannel singular spectrum analysis. Among many other positive outcomes, this latter method is unique in its ability to recognize common oscillatory modes between the five time series observed at both limbs.

Results. The latitudinal rotation profile obtained in this work emphasizes that the low-latitude region of the UV corona (about ±20° from the solar equator) exhibits differential rotation, while the higher-latitude structures do rotate quasi-rigidly. Moreover, in contrast to previous results obtained using only O VI 1032 Å data over a 365 day time interval during solar minimum activity, the alleged north-south rotational asymmetry of the UV corona, if existent, is much less pronounced.

Conclusions. The differential rotation rate of the solar corona as evinced at low-latitudes is consistent with the rotational profile of the near-surface convective zone of the Sun, suggesting that the rotation of the corona at 1.7 R⊙ is linked to intermediate-scale magnetic bipole structures anchored near 0.99 R⊙. The quasi-rigid rotation rate found at mid and high latitudes is instead attributed to the influence of large-scale coronal structures linked to the rigidly rotating coronal holes. We further suggest that the methodology presented in this paper could represent a milestone for future investigations on differential rotation rates when dealing with simultaneous multiwavelength data.