bluuebunny/crossref_metadata_2025 huggingface dataset:
How build angle and post-processing impact roughness and corrosion of additively manufactured 316L stainless steel
Authors: Melia Michael A. , Duran Jesse G. , Koepke Joshua R. , Saiz David J. , Jared Bradley H. , Schindelholz Eric J.
Published: July 2020

Additively manufactured austenitic stainless steels exhibit numerous microstructural and morphological differences compared to their wrought counterparts that will influence the metals corrosion resistance. The characteristic as-printed surface roughness of powder bed fusion (PBF) stainless steel parts is one of these morphological differences that increases the parts susceptibility to localized corrosion. This study experimentally determines the average surface roughness and breakdown potential (Eb) for PBF 316L in 6 surface finished states: as-printed, ground with SiC paper, tumble polished in abrasive media, electro-polished, chemically passivated, and the application of a contour/re-melt scan strategy. In general, a smaller average surface roughness led to a larger Eb. The smoothest surface treatments, ground and electro-polished conditions, led to Eb near the materials limit (~+1.0 VAg/AgCl) while all other surface treatments exhibited significantly lower Eb (~+0.3 VAg/AgCl) The build angle was also shown to impact surface roughness, where surfaces at high angles from the build direction resulted in larger roughness values, hence lower Eb.
Capnovolumetry in combination with clinical history for the diagnosis of asthma and COPD
Authors: Kellerer C. , Klütsch K. , Husemann K. , Sorichter S. , Jörres R. A. , Schneider A.
Published: July 2020

Capnovolumetry performed during resting ventilation is an easily applicable diagnostic tool sensitive to airway obstruction. In the present analysis, we investigated in which way capnovolumetric parameters can be combined with basic anamnestic information to support the diagnosis of asthma and COPD. Among 1400 patients of a previous diagnostic study, we selected 1057 patients with a diagnosis of asthma (n = 433), COPD (n = 260), or without respiratory disease (n = 364). Besides performing capnovolumetry, patients answered questions on symptoms and smoking status. Logistic regression analysis, single decision trees (CHAID), and ensembles of trees (random forest) were used to identify diagnostic patterns of asthma and COPD. In the random forest approach, area/volume of phase 3, dyspnea upon strong exertion, s3/s2, and current smoking were identified as relevant parameters for COPD vs control. For asthma vs control, they were wheezing, volume of phase 2, current smoking, and dyspnea at strong exertion. For COPD vs asthma, s3/s2 was the primary criterion, followed by current smoking and smoking history. These parameters were also identified as relevant in single decision trees. Regarding the diagnosis of asthma vs control, COPD vs control, and COPD vs asthma, the area under the curve was 0.623, 0.875, and 0.880, respectively, in the random forest approach. Our results indicate that for the diagnosis of asthma and COPD capnovolumetry can be combined with basic anamnestic information in a simple, intuitive, and efficient manner. As capnovolumetry requires less cooperation from the patient than spirometry, this approach might be helpful for clinical practice.
A protective bivalent vaccine against Rift Valley fever and bluetongue
Authors: Calvo-Pinilla Eva , Marín-López Alejandro , Moreno Sandra , Lorenzo Gema , Utrilla-Trigo Sergio , Jiménez-Cabello Luis , Benavides Julio , Nogales Aitor , Blasco Rafael , Brun Alejandro , Ortego Javier
Published: July 2020

Rift Valley fever (RVF) and bluetongue (BT) are two important ruminant diseases transmitted by arthropods. Both viruses have shown important geographic spread leading to endemicity of BT virus (BTV) in Africa and Europe. In this work, we report a dual vaccine that simultaneously induces protective immune responses against BTV and RVFV based on modified vaccinia Ankara virus (MVA) expressing BTV proteins VP2, NS1, or a truncated form of NS1 (NS1-Nt), and RVFV Gn and Gc glycoproteins. IFNAR(−/−) mice immunized with two doses of MVA-GnGc-VP2 developed a significant neutralizing antibody response against BTV-4 and RVFV. Furthermore, the homologous prime-boost immunization with MVA-GnGc-NS1 or MVA-GnGc-NS1-Nt triggered neutralizing antibodies against RVFV and NS1-specific cytotoxic CD8+ T cells in mice. Moreover, all mice immunized with MVA-GnGc-NS1 or MVA-GnGc-NS1-Nt remained healthy after lethal challenge with RVFV or BTV-4. The homologous prime-boost vaccination with MVA-GnGc-NS1, which was the best immunization strategy observed in mice, was assayed in sheep. Clinical signs and viremia were absent or highly reduced in vaccinated sheep after challenge with BTV-4 or RVFV. These results indicate that MVA-GnGc-NS1 vaccination elicits immune protection against RVFV and BTV in sheep.
Disassembly-based bill of materials data for consumer electronic products
Authors: Babbitt Callie W. , Madaka Hema , Althaf Shahana , Kasulaitis Barbara , Ryen Erinn G.
Published: July 2020

Consumer electronic products have a complex life cycle, characterized by environmental, social, and economic impacts and benefits associated with their manufacturing, use, and disposal at end-of-life. Accurately analysing these trade-offs and creating sustainable solutions requires data about the materials and components that make up these devices. Such information is rarely disclosed by manufacturers and only exists in the open literature in disparate case study format. This study presents a comprehensive database of bill of material (BOM) data describing the mass of major materials and components contained in 95 unique consumer electronic products. Data are generated by product disassembly and physical characterization and then validated against external benchmarks in the literature. The study also contributes a reproducible framework for organizing BOM data so that they can be expanded as new products enter the market. These data will benefit researchers studying all aspects of electronics and sustainability, including material scarcity, product design, environmental life cycle assessment, electronic waste policy, and environmental health and safety.
Presence of resveratrol in wild Arachis species adds new value to this overlooked genetic resource
Authors: Carvalho Paula Andreá Sampaio de Vasconcelos , de Carvalho Moretzsohn Márcio , Brasileiro Ana Cristina Miranda , Guimarães Patrícia Messenberg , da Silveira Agostini-Costa Tânia , da Silva Joseane Padilha , Gimenes Marcos A.
Published: July 2020

GenusArachiscomprises 82 species distributed into nine taxonomic sections. MostArachisspecies are wild and those fromArachissection have been evaluated for many traits, since they can be used in peanut breeding. Most of the remaining species have been neglected and understudied. Recently, resveratrol content and expression of a resveratrol synthase gene were analyzed in wildArachisspecies. Our aim was to expand the knowledge about resveratrol inArachis, analyzing species from five sections and evaluating the expression of a resveratrol synthase (RS) gene responsive to ultraviolet light (UV) along the time. In a first experiment, the resveratrol content after UV induction was analyzed on detached leaves of 12 species from five sections. Variation was observed among species and accessions of the same species. The highest contents were found inA. lignosa(843.9 μg/g) andA. triseminata(745.4 μg/g).In a second experiment, RS expression and resveratrol content in four species and one synthetic amphidiploid were analyzed at 0, 7, 15 and 24 h pos induction (hpi) with UV. In most genotypes, the highest RS expression level was at 0 hpi, whereas the highest resveratrol content was at 15 hpi. Our results suggested that resveratrol is ubiquitously present in the genusArachiswith different capacities of synthesis among species and accessions in response to ultraviolet treatment. Presence of resveratrol in wildArachisspecies adds new value to these genetic resources.
Alteration of immunophenotype of human macrophages and monocytes after exposure to cigarette smoke
Authors: da Silva Camila Oliveira , Gicquel Thomas , Daniel Yoann , Bártholo Thiago , Vène Elise , Loyer Pascal , Pôrto Luís Cristóvão , Lagente Vincent , Victoni Tatiana
Published: July 2020

Cigarette smoke exposure (CS) is the main risk factor for chronic obstructive pulmonary disease (COPD). Macrophages have an important role in COPD because they release pro-inflammatory and anti-inflammatory cytokines. The present study’s we investigate the functional changes in macrophages and monocytes exposed to cigarette smoke extract (CSE). Herein, using human monocyte-derived macrophages (MDMs) from healthy donors and we found that CSE was not associated with significant changes in the production of pro inflammatory cytokines by MDMs. In contrast, exposure to CSE suppressed the production of IL-6 and Gro-a/CXCL1 by LPS-stimulated-MDMs, but had an additive effect on the release of IL-8/CXCL8 and MCP1/CCL2. However, CSE exposure was associated with greater production, TARC/CCL-17 and CCL22/MDC. Moreover, MDMs displayed a lower uptake capacity after CSE exposure. We identify, for what is to our knowledge the first time that monocytes from patients with COPD produced less IL-8/CXCL8 and Gro-α/CXCL1 after LPS stimulation and produced higher levels of TARC/CCL17 and MDC/CCL-22 after IL-4 stimulation. Our present results highlighted a skewed immune response, with an imbalance in M1 vs. M2 cytokine production. In conclusion, exposure to CS has contrasting, multifaceted effects on macrophages and monocytes. Our data may provide a better understanding of the mechanisms underlying COPD.
The circulating ANGPTL8 levels show differences among novel subgroups of adult patients with diabetes and are associated with mortality in the subsequent 5 years
Authors: Zou Huajie , Duan Wu , Zhang Zeqing , Chen Xi , Lu Puhan , Yu Xuefeng
Published: July 2020

ANGPTL8, an important regulator of glucose and lipid metabolism, is associated with diabetes, but the role of ANGPTL8 in the outcomes of novel subgroups of diabetes remains unclear. To assess the circulating ANGPTL8 levels in novel subgroups of diabetes and their association with health outcomes, we performed a data-driven cluster analysis (k-means) of patients with newly diagnosed diabetes (741 patients enrolled from 2011 through 2016) from the Risk Evaluation of Cancers in Chinese Diabetic Individuals: a longitudinal (REACTION) study. The primary outcomes were mortality from all causes and cardiovascular diseases (CVD), and the secondary outcome was any cardiovascular event. Comparisons among groups were performed using the Kruskal–Wallis test, and the correlations between variables were assessed using the Pearson correlation test. Logistic regression was used to detect associations between the risk of outcomes and the ANGPTL8 levels. We identified four replicable clusters of patients with diabetes that exhibited significantly different patient characteristics and risks of all-cause mortality. The serum ANGPTL8 levels in the cluster of mild age-related diabetes (MARD), severe insulin-resistant diabetes (SIRD), and severe insulin-deficient diabetes (SIDD) were significantly higher than those in the mild obesity-related diabetes (MOD) cluster (685.01 ± 24.50 vs. 533.5 ± 18.39, p < 0.001; 649.69 ± 55.83 vs. 533.5 ± 18.39, = 0.040; 643.29 ± 30.89 vs. 533.5 ± 18.39, p = 0.001). High circulating ANGPTL8 levels were more highly associated with a greater hazard of all-cause mortality (quartile 4 vs 1: risk ratio [RR] 3.23, 95% CI 1.13–9.22; per unit increase in the Z score: RR 1.53, 95% CI 1.17–2.01) than low circulating ANGPTL8 levels. In conclusion, this 5-year follow-up REACTION study revealed that the circulating ANGPTL8 levels show differences among novel subgroups of adult patients with diabetes and are associated with all-cause mortality in the subsequent 5 years.
Quality of life analysis after stereotactic radiofrequency ablation of liver tumors
Authors: Schullian Peter , Gertl Anja , Laimer Gregor , Putzer Daniel , Siebert Uwe , Levy Elliot , Bale Reto
Published: July 2020

The purpose of this study was to evaluate the health-related quality of life (HRQoL) after stereotactic radiofrequency ablation (SRFA) of liver tumors and identify variables associated with decreased HRQoL and to compare it to other treatments in case of concurrency. From 2011 to 2017 577 patients underwent SRFA for liver tumors in 892 ablation sessions. 303 (52.5%) patients completed a HRQoL questionnaire once after the ablation. HRQoL was assessed by the Short Form (SF)-12 health survey with mental and physical component scales and by a general questionnaire to assess disease and treatment-specific items as well as to compare tolerability of SRFA to transarterial chemoembolization (TACE), hepatic resection (HR) and chemotherapy (CTX). The median SF-12 PCS was 46.6 and MCS was 53.2. Patients experiencing pain or complications and patients refusing repeat SRFA showed significantly lower PCS (43.2 vs 48.6, p = 0.0003; 32.8 vs 46.9, p = 0.005 and 40.6 vs 46.9, p = 0.009). 355 (97.8%) patients indicated willingness to undergo repeat SRFA with little to no fear in 292 (80.7%) patients. Among patients with multiple therapies, SRFA was rated by 40 (90.9%) as preferred re-treatment, HR by 1 (2.3%) and CTX by 3 (6.8%). In conclusion, we have shown that SRFA has good HRQoL-outcomes and reported low morbidity rates. Consequently the vast majority of study patients would accept a repeated SRFA if necessary (97.8%), without fear (80.7%). SRFA was preferred among patients who experienced concurrent treatments, such as HR or CTX.
Survival of forensic trace evidence on improvised explosive devices: perspectives on individualisation
Authors: Vanderheyden Natasja , Verhoeven Elke , Vermeulen Steve , Bekaert Bram
Published: July 2020

Improvised Explosive Devices (IEDs) are weapons of modern times, used by terrorist groups and thereby causing substantial damage to communities. There is a widespread misconception that destructive conditions like heat, water or pressure destroy all forensic evidence. Moreover, the plausibility to detect identifiable fingermarks and DNA on components of IEDs is insufficiently known. Therefore, this study investigated the effects of neutralisation and explosion on latent fingerprints and touch DNA. In a majority of the cases, comparative fingermark- and DNA testing resulted in individualisation. In some cases, despite extremely low amounts of contact DNA detected after deployment of render-safe tools or detonation, full STR profiles could be constituted, even after applying fingerprint development techniques. This research shows that latent fingerprints and touch DNA on improvised explosives can be successfully detected after destructive conditions and possibly be linked to the perpetrators of such crimes. This individualising power offers perspectives to enhance forensic investigations of terrorism-related crimes.
Modeling of entropy optimization for hybrid nanofluid MHD flow through a porous annulus involving variation of Bejan number
Authors: Shah Zahir , Sheikholeslami M. , Kumam Poom , Ikramullah  , Shafee Ahmad
Published: July 2020

We numerically investigate the non-Darcy magnetohydrodynamic hybrid nanoparticle migration through a permeable tank using control volume finite element method through entropy generation. The roles of various amounts of Permeability, Lorentz and Rayleigh (Ra) number are investigated upon the various aspects of the hybrid nanofluid flow through contour and 3-D plots. Through curve fitting technique, analytical expressions for Nuaveand Bejan number as functions of Ra, Ha and Da are obtained. It is found that the strength of the vortexes decline and temperature of the inner wall augments with the higher magnetic field, while temperature drops with increasing buoyancy forces and medium permeability. The irreversibility terms associated with the generation of the thermal energy and applied magnetic field (Sgen,th, Sgen,M) enhance while the other terms (Sgen,f, Sgen,p) drop with the rising values of the magnetic field strength. These quantities show exactly opposite behavior with augmenting Da. The Bejan number drops while Nuaveaugments with the rising buoyancy forces. The agreement with the previous published results confirms the accuracy of the employed computational model.
A century of precipitation trends in forest lands of the Lower Mississippi River Alluvial Valley
Authors: Ouyang Ying , Zhang Jiaen , Feng Gary , Wan Yongshan , Leininger Theodor D.
Published: July 2020

Variations in long-term precipitation trends due to climate forcings have been observed in many parts of the world, exacerbating hydrological uncertainties to predicting droughts, floods, water resource availability, and ecosystem services. The Lower Mississippi River Alluvial Valley (LMRAV) is an important economic region of the midsouth USA, which is prone to natural disasters from extreme climate events and is known historically for cyclic flooding events and, within the last 20 years, for groundwater level declines. However, our knowledge of long-term precipitation trends in this region is fragmented. Using 100-year historic daily precipitation data from six stations of forest lands along with multivariate statistical analysis, we found that there were significant increasing trends (p ≤ 0.05) in annual precipitation near the south coastal area of the LMRAV and only marginally increasing trends in the northern area. Spatial variation in seasonality was observed at the decadal scale with increasing trends in fall near the coastal area and in spring around the north area. In addition to becoming wetter, the coastal area also experienced higher precipitation intensity with shorter return period over the past 100 years. These findings are useful to water resource managers for adapting to changing climate conditions in the LMRAV.
Graphitic carbon nitride/graphene nanoflakes hybrid system for electrochemical sensing of DNA bases in meat samples
Authors: Kalaiyarasi J. , Pandian K. , Ramanathan Santheraleka , Gopinath Subash C. B.
Published: July 2020

This research presents a simple, fast and simultaneous electrochemical quantitative determination of nucleobases, for example guanine (G), adenine (A), and thymine (T) in a beef and chicken livers samples to measure the quality of food products based on hybrids of graphitic carbon nitride/Graphene nanoflakes (g-C3N4/GNF) modified electrode. Graphitic carbon nitride (g-C3N4) made of graphite-like covalent link connects nitrogen, nitride, and carbon atoms in the structural design with improved the electrical properties and low band gap semiconductor. The g-C3N4/GNF nanocomposite was synthesized by the hydrothermal treatment to form a porous g-C3N4 interconnected three dimensional (3D) network of g-C3N4 and GNF. The 3D g-C3N4/GNF/GCE was utilized for the detection of nucleic acid bases with a well resolved oxidation peak for the individual analyte. The electrocatalytic current was established to be a linear range from 0.3 × 10–7 to 6.6 × 10–6, 0.3 × 10–7 to 7.3 × 10–6, and 5.3 × 10−6 to 63.3 × 10−4 M for G, A, and T with a detection limit of 4.7, 3.5 and 55 nM, respectively. The diffusion co-efficient and the kinetic parameters were derived from the chronoamperometry technique. The proposed sensing strategy has been effectively used for the application in real sample analysis and observed that the electrode free from the surface fouling.
Diurnal self-aggregation
Authors: Haerter Jan O. , Meyer Bettina , Nissen Silas Boye
Published: July 2020

Convective self-aggregation is a modelling paradigm for convective rain cell organisation over a constant-temperature tropical sea surface. This set-up can give rise to cloud clusters developing over timescales of weeks. In reality, sea-surface temperatures do oscillate diurnally, affecting the atmospheric state and influencing rain rates significantly. Over land, surface temperatures vary more strongly. Here, we carry out a suite of cloud-resolving numerical experiments, and find that qualitatively different dynamics emerge from modest surface temperature oscillations: while the spatial distribution of rainfall is homogeneous during the first day, already on the second day, the rain field is firmly structured. In later days, this clustering becomes stronger and alternates from day to day. We show that these features are robust to changes in resolution, domain size and mean surface temperature, but can be removed by a reduction of the amplitude of diurnal surface temperature oscillation, suggesting a transition from a random to a clustered state. Maximal clustering occurs at a scale of$${l}_{\max }\approx 180\ {\rm{km}}$$lmax≈180km, which we relate to the emergence of mesoscale convective systems. At$${l}_{\max }$$lmax, rainfall is strongly enhanced and far exceeds the rainfall expected at random. Simple conceptual modelling helps interpret the transition to clustering, which is driven by the formation of mesoscale convective systems, and brings about day-to-day moisture oscillations. Our results may help clarify how continental extremes build up, and how cloud clustering over the tropical ocean could emerge as an instance of spontaneous symmetry breaking at timescales much faster than in conventional radiative–convective equilibrium self-aggregation.
Actionable health app evaluation: translating expert frameworks into objective metrics
Authors: Lagan Sarah , Aquino Patrick , Emerson Margaret R. , Fortuna Karen , Walker Robert , Torous John
Published: July 2020

As use and availability of mobile health apps have increased, so too has the need for a thorough, accessible framework for app evaluation. The American Psychiatric Association’s app evaluation model has emerged as a way to critically assess an app by considering accessibility, privacy and security, clinical foundation, engagement, and interoperability; however, there is no centralized database where users can view how various health apps perform when assessed via the APA model. In this perspective, we propose and outline our effort to translate the APA’s model for the evaluation of health apps into a set of objective metrics that can be published online, making the framework actionable and accessible to a broad audience. The questions from the APA model were operationalized into 105 objective questions that are either binary or numeric. These questions serve as the foundation of an online database, where app evaluation consists of answering these 105 questions and can be crowdsourced. While the database has yet to be published and crowdsourced, initial internal testing demonstrated excellent interrater reliability. The database proposed here introduces a public and interactive approach to data collection that is guided by the APA model. The published product enables users to sort through the many mobile health apps and filter them according to individual preferences and priorities, making the ever-growing health app market more navigable.
Predictably unequal: understanding and addressing concerns that algorithmic clinical prediction may increase health disparities
Authors: Paulus Jessica K. , Kent David M.
Published: July 2020

The machine learning community has become alert to the ways that predictive algorithms can inadvertently introduce unfairness in decision-making. Herein, we discuss how concepts of algorithmic fairness might apply in healthcare, where predictive algorithms are being increasingly used to support decision-making. Central to our discussion is the distinction between algorithmic fairness and algorithmic bias. Fairness concerns apply specifically when algorithms are used to support polar decisions (i.e., where one pole of prediction leads to decisions that are generally more desired than the other), such as when predictions are used to allocate scarce health care resources to a group of patients that could all benefit. We review different fairness criteria and demonstrate their mutual incompatibility. Even when models are used to balance benefits-harms to make optimal decisions for individuals (i.e., for non-polar decisions)–and fairness concerns are not germane–model, data or sampling issues can lead to biased predictions that support decisions that are differentially harmful/beneficial across groups. We review these potential sources of bias, and also discuss ways to diagnose and remedy algorithmic bias. We note that remedies for algorithmic fairness may be more problematic, since we lack agreed upon definitions of fairness. Finally, we propose a provisional framework for the evaluation of clinical prediction models offered for further elaboration and refinement. Given the proliferation of prediction models used to guide clinical decisions, developing consensus for how these concerns can be addressed should be prioritized.
Opportunities and challenges for assigning cofactors in cryo-EM density maps of chlorophyll-containing proteins
Authors: Gisriel Christopher J. , Wang Jimin , Brudvig Gary W. , Bryant Donald A.
Published: July 2020

The accurate assignment of cofactors in cryo-electron microscopy maps is crucial in determining protein function. This is particularly true for chlorophylls (Chls), for which small structural differences lead to important functional differences. Recent cryo-electron microscopy structures of Chl-containing protein complexes exemplify the difficulties in distinguishing Chl b and Chl f from Chl a. We use these structures as examples to discuss general issues arising from local resolution differences, properties of electrostatic potential maps, and the chemical environment which must be considered to make accurate assignments. We offer suggestions for how to improve the reliability of such assignments.
Integrating multiple materials science projects in a single neural network
Authors: Hatakeyama-Sato Kan , Oyaizu Kenichi
Published: July 2020

In data-intensive science, machine learning plays a critical role in processing big data. However, the potential of machine learning has been limited in the field of materials science because of the difficulty in treating complex real-world information as a digital language. Here, we propose to use graph-shaped databases with a common format to describe almost any materials science experimental data digitally, including chemical structures, processes, properties, and natural languages. The graphs can express real world’s data with little information loss. In our approach, a single neural network treats the versatile materials science data collected from over ten projects, whereas traditional approaches require individual models to be prepared to process each individual database and property. The multitask learning of miscellaneous factors increases the prediction accuracy of parameters synergistically by acquiring broad knowledge in the field. The integration is beneficial for developing general prediction models and for solving inverse problems in materials science.
Does deamidation affect inhibitory mechanisms towards amyloid protein aggregation?
Authors: Lam Yuko P. Y. , Chiu Cookson K. C. , Wootton Christopher A. , Hands-Portman Ian , Li Meng , Barrow Mark P. , O'Connor Peter B.
Published: July 2020

A diagram to show the differences between wild-type and deamidated hIAPPs interaction with site specific and non-specific inhibitors.
Synthesis of 1,2-dihydro-1,3,5-triazine derivatives via Cu(ii)-catalyzed C(sp3)–H activation of N,N-dimethylethanolamine with amidines
Authors: Yan Min , Ma Renchao , Chen Rener , Wang Lei , Wang Zhiming , Ma Yongmin
Published: July 2020

This efficient synthesis of 1,2-dihydro-1,3,5-triazine derivatives was developed for the first time using N,N-dimethylethanolamine as a new carbon donor.
Tandem X-ray absorption spectroscopy and scattering for in situ time-resolved monitoring of gold nanoparticle mechanosynthesis
Authors: de Oliveira Paulo F. M. , Michalchuk Adam A. L. , Buzanich Ana Guilherme , Bienert Ralf , Torresi Roberto M. , Camargo Pedro H. C. , Emmerling Franziska
Published: July 2020

A new tandem approach combines XRD and XANES for time-resolved in situ monitoring of the mechanochemical synthesis of gold nanoparticles.
Ordered structures and sub-5 nm line patterns from rod–coil hybrids containing oligo(dimethylsiloxane)
Authors: Yang Weilu , Zhang Wei , Luo Longfei , Lyu Xiaolin , Xiao Anqi , Shen Zhihao , Fan Xing-He
Published: July 2020

Oligo(dimethylsiloxane)-based rod–coil liquid crystals can form lamellar, double gyroid, and columnar phases that can also be transferred onto a silicone substrate and oriented by modified trenches.
Luminescent CdII metal–organic frameworks based on isoniazid using a mixed ligand approach
Authors: Husain Ahmad , Rani Pooja , Alisha  , Sharma Ananay , Mondal Tuhina , Saha Shyamal K. , Bhasin K. K. , Trivedi Manoj , Kumar Girijesh
Published: July 2020

The luminescence properties of Cd-metal–organic frameworks were tuned by varying emissive and non-emissive ligands to display blue and white light emission.
Seeded growth of gold–silver ultrathin wire–dot hybrid nanostructures
Authors: Zhang Gongguo , Ma Yanyun , Liu Feng , Nie Yuting , Liu Zhiang , Fu Xiaowei , Luan Xiaoqian , Qu Fengli , Liu Maochang , Zheng Yiqun
Published: July 2020

Gold–silver hybrid nanostructures in the form of “ultrathin wire–dots” are prepared in high purity via seeded growth.
Kinetic modeling of methyl pentanoate pyrolysis based onab initiocalculations
Authors: Shang Yanlei , Ning Hongbo , Shi Jinchun , Luo Sheng-Nian
Published: July 2020

Recently, methyl pentanoate (MP) was proposed as a viable biodiesel surrogate to petroleum-based fuels.
Ni nanoparticle-confined covalent organic polymer directed diaryl-selenides synthesis
Authors: Yadav Deepika , Dixit A. K. , Raghothama S. , Awasthi Satish Kumar
Published: July 2020

The present work describes the preparation of a new covalent organic polymer and its application as a hetero support for diaryl selenides synthesis.
A novel p–n Mn0.2Cd0.8S/NiWO4heterojunction for highly efficient photocatalytic H2production
Authors: Feng Haoqiang , Xi Yue , Huang Qunzeng
Published: July 2020

A novel Mn0.2Cd0.8S/NiWO4composite was fabricated and it exhibited enhanced H2production activity due to the p–n heterojunction between Mn0.2Cd0.8S and NiWO4.
Recent advances in eco-friendly and cost-effective materials towards sustainable dye-sensitized solar cells
Authors: Mariotti Nicole , Bonomo Matteo , Fagiolari Lucia , Barbero Nadia , Gerbaldi Claudio , Bella Federico , Barolo Claudia
Published: July 2020

Main DSSC components, along with their most critical materials and related issues are reviewed and feasible alternatives are envisaged.
Characterization of iron oxide nanoparticles by means of single-particle ICP-mass spectrometry (SP-ICP-MS) – chemical versus physical resolution to overcome spectral overlap
Authors: Rua-Ibarz Ana , Bolea-Fernandez Eduardo , Pozo Guillermo , Dominguez-Benetton Xochitl , Vanhaecke Frank , Tirez Kristof
Published: July 2020

In this work, different single-particle ICP-MS (SP-ICP-MS) approaches, relying on either chemical or physical resolution to overcome spectral overlap, have been assessed for their utility in the characterization of iron oxide nanoparticles (IONPs).
Controlled pharmacokinetic anti-cancer drug concentration profiles lead to growth inhibition of colorectal cancer cells in a microfluidic device
Authors: Komen Job , Westerbeek Eiko Y. , Kolkman Ruben W. , Roesthuis Julia , Lievens Caroline , van den Berg Albert , van der Meer Andries D.
Published: July 2020

We present a microfluidic device to expose cancer cells to a dynamic,in vivo-like concentration profile of a drug, and quantify efficacy on-chip.
Directly linked metalloporphyrins: a quest for bio-inspired materials
Authors: Sarmah Amrit , Hobza Pavel
Published: July 2020

Extended metalloporphyrin arrays can potentially mimic the biological design of energy harvesting materials. The electronic environment of diporphyrin systems can be tuned according to their topological changes.
Bio-inspired perylene diimide coated super paramagnetic nanoparticles for the effective and efficient removal of lead(ii) from aqueous medium
Authors: Dey Sucharita , Mahanty Shouvik , Saha Ankita , Kumar Prince , Saha Rajdeep , Kar Chirantan , Chaudhuri Punarbasu , Sukul Pradip Kr.
Published: July 2020

A levodopa (L-DOPA) functionalized perylene diimide coated amphiphilic superparamagnetic nanomaterial was developed for the decontamination of lead from water with an outstanding adsorption capacity.
Nickel sulfide-incorporated sulfur-doped graphitic carbon nitride nanohybrid interface for non-enzymatic electrochemical sensing of glucose
Authors: Vinoth S. , Rajaitha P. Mary , Venkadesh A. , Shalini Devi K. S. , Radhakrishnan S. , Pandikumar A.
Published: July 2020

Nickel sulfide incorporated sulfur doped-graphitic carbon nitride nanohybrid modified electrode interface for non-enzymatic sensing of glucose in an alkaline medium.
Biogenic synthesis of silver nanoparticles using cyanobacteriumLeptolyngbyasp. WUC 59 cell-free extract and their effects on bacterial growth and seed germination
Authors: Singh Yadvinder , Kaushal Sandeep , Sodhi Ramandeep Singh
Published: July 2020

The biogenic synthesis of metal nanoparticles (NPs) is of great significance, as it renders clean, biocompatible, innocuous and worthwhile production.
Fluorooxoborate layers: second harmonic generation and Raman spectra anisotropy
Authors: Tudi Abudukadi , Han Shujuan , Yang Zhihua , Pan Shilie
Published: July 2020

The fluorooxoborate functional layers exhibit larger SHG than the typical KBBF layer.
Extended fluorescent uridine analogues: synthesis, photophysical properties and selective interaction with BSA protein
Authors: Ardhapure Ajaykumar V. , Gayakhe Vijay , Bhilare Shatrughn , Kapdi Anant R. , Bag Subhendu Sekhar , Sanghvi Yogesh S. , Gunturu Krishna Chaitanya
Published: July 2020

The improvement in fluorescence properties of 2′-deoxyuridine was made possible by the introduction of (hetero)aromatic moieties at the C–5 position of uridine with alkenyl/phenyl/styryl linkers to create a library of useful fluorescent nucleosides.
Impact of solvent substitution on kinetically controlled transmetalation behaviours in a MOF
Authors: Chen Wen , Zhang Haoyue , Qiao Ang , Tao Haizheng
Published: July 2020

Transmetalation-induced amorphization and decreased chemical stability are confirmed by DSC, XRD and SEM.
Bifunctional carbon Ni/NiO nanofiber catalyst based on 5-sulfosalicylic acid for conversion of C5/C6 carbohydrates into ethyl levulinate
Authors: Guo Haixin , Abe Yuya , Qi Xinhua , Smith Jr Richard Lee
Published: July 2020

A method was developed for preparing bifunctional carbon Ni/NiO nanofiber catalysts that promote efficient one-pot conversion of C5/C6 carbohydrates into levulinate esters in alcohol solvents.
Experimental and computational study of particle formation kinetics in UF6 hydrolysis
Authors: Cheng Meng-Dawn , Richards Jason M. , Omana Michael A. , Hubbard Joshua A. , Fugate Glenn A.
Published: July 2020

The formation and growth of UO2F2 particles by gas-phase UF6 hydrolysis remains of interest to actinide chemistry researchers.
Study on the yielding behaviors of ferrofluids: a very shear thinning phenomenon
Authors: Li Zhenkun , Li Decai , Chen Yibiao
Published: July 2020

The yielding of ferrofluids conforms to a very shear thinning type.
Microrheology imaging of fiber suspensions – a case study for lyophilized collagen I in HCl solutions
Authors: Hafner Johanna , Oelschlaeger Claude , Willenbacher Norbert
Published: July 2020

Where conventional microscopy fails, overlaying subsequent images of multiple particle tracking (MPT) videos including short trajectories allowed for direct visualization of the network structure of lyophilized collagen I.
Unravelling the structural complexity and photophysical properties of adamantyl-based layered hybrid perovskites
Authors: Jahanbakhshi Farzaneh , Mladenović Marko , Kneschaurek Ekaterina , Merten Lena , Gélvez-Rueda María C. , Ahlawat Paramvir , Li Yang , Dučinskas Algirdas , Hinderhofer Alexander , Dar M. Ibrahim , Tress Wolfgang , Carlsen Brian , Ummadisingu Amita , Zakeeruddin Shaik M. , Hagfeldt Anders , Schreiber Frank , Grozema Ferdinand C. , Rothlisberger Ursula , Milić Jovana V. , Graetzel Michael
Published: July 2020

Structural properties and photophysics of layered perovskites comprising adamantyl (A) cations in A2FAn−1PbnI3n+1 (n = 1–3, FA = formamidinium) composition are studied by a combination of theoretical and experimental techniques to unravel unique features.
Noncollinear frustrated antiferromagnetic Mn3P monolayer and its tunability via a spin degree of freedom
Authors: Li Xinru , Sun Zhenning , Li Jianwei , Jin Hao , Wang Jian , Wei Yadong
Published: July 2020

Controlling magnetism in two dimensional (2D) materials is valuable to understand the current experimental observations and can guide the further design of functional devices.
Self-assembly of noble metal-free graphene–copper plasmonic metasurfaces
Authors: Di Bernardo Iolanda , Bradford Jonathan , Fusco Zelio , Mendoza Jireh , Tran-Phu Thanh , Bo Renheng , Motta Nunzio , Tricoli Antonio
Published: July 2020

Graphene-protected Cu nanoislands as VOC plasmonic sensors.
Symmetry and asymmetry in thermoelectrics
Authors: Huang Zhiwei , Zhao Li-Dong
Published: July 2020

Thermoelectric technology has been investigated extensively as a kind of green energy, which can realize the direct conversion between heat and electricity.
An acidic residue buried in the dimer interface of isocitrate dehydrogenase 1 (IDH1) helps regulate catalysis and pH sensitivity
Authors: Luna Lucas A. , Lesecq Zachary , White Katharine A. , Hoang An , Scott David A. , Zagnitko Olga , Bobkov Andrey A. , Barber Diane L. , Schiffer Jamie M. , Isom Daniel G. , Sohl Christal D.
Published: July 2020

Isocitrate dehydrogenase 1 (IDH1) catalyzes the reversible NADP+-dependent conversion of isocitrate to α-ketoglutarate (αKG) to provide critical cytosolic substrates and drive NADPH-dependent reactions like lipid biosynthesis and glutathione regeneration. In biochemical studies, the forward reaction is studied at neutral pH, while the reverse reaction is typically characterized in more acidic buffers. This led us to question whether IDH1 catalysis is pH-regulated, which would have functional implications under conditions that alter cellular pH, like apoptosis, hypoxia, cancer, and neurodegenerative diseases. Here, we show evidence of catalytic regulation of IDH1 by pH, identifying a trend of increasing kcat values for αKG production upon increasing pH in the buffers we tested. To understand the molecular determinants of IDH1 pH sensitivity, we used the pHinder algorithm to identify buried ionizable residues predicted to have shifted pKa values. Such residues can serve as pH sensors, with changes in protonation states leading to conformational changes that regulate catalysis. We identified an acidic residue buried at the IDH1 dimer interface, D273, with a predicted pKa value upshifted into the physiological range. D273 point mutations had decreased catalytic efficiency and, importantly, loss of pH-regulated catalysis. Based on these findings, we conclude that IDH1 activity is regulated, at least in part, by pH. We show this regulation is mediated by at least one buried acidic residue ∼12 Å from the IDH1 active site. By establishing mechanisms of regulation of this well-conserved enzyme, we highlight catalytic features that may be susceptible to pH changes caused by cell stress and disease.
An APEX survey of outflow and infall toward the youngest protostars in Orion
Authors: Nagy Z. , Menechella A. , Megeath S. T. , Tobin J. J. , Booker J. J. , Fischer W. J. , Manoj P. , Stanke T. , Stutz A. , Wyrowski F.
Published: July 2020

Aims. We aim to characterize the outflow properties of a sample of early Class 0 phase low-mass protostars in Orion, which were first identified by the Herschel Space Observatory. We also look for signatures of infall in key molecular lines.

Methods. Maps of CO J = 3–2 and J = 4–3 toward 16 very young Class 0 protostars were obtained using the Atacama Pathfinder EXperiment (APEX) telescope. We searched the data for line wings indicative of outflows and calculated masses, velocities, and dynamical times for the outflows. We used additional HCO+, H13CO+, and NH3 lines to look for infall signatures toward the protostars.

Results. We estimate the outflow masses, forces, and mass-loss rates based on the CO J = 3–2 and J = 4–3 line intensities for eight sources with detected outflows. We derive upper limits for the outflow masses and forces of sources without clear outflow detections. The total outflow masses for the sources with clear outflow detections are in the range between 0.03 and 0.16 M⊙ for CO J = 3–2 and between 0.02 and 0.10 M⊙ for CO J = 4–3. The outflow forces are in the range between 1.57 × 10−4 and 1.16 × 10−3 M⊙ km s−1 yr−1 for CO J = 3–2 and between 1.14 × 10−4 and 6.92 × 10−4 M⊙ km s−1 yr−1 for CO J = 4–3. Nine protostars in our sample show asymmetric line profiles indicative of infall in HCO+, compared to H13CO+ or NH3.

Conclusions. The outflow forces of the protostars in our sample show no correlation with the bolometric luminosity, unlike those found by some earlier studies for other Class 0 protostars. The derived outflow forces for the sources with detected outflows are similar to those found for other, more evolved, Class 0 protostars, suggesting that outflows develop quickly in the Class 0 phase.
CARMENES input catalogue of M dwarfs
Authors: Cifuentes C. , Caballero J. A. , Cortés-Contreras M. , Montes D. , Abellán F. J. , Dorda R. , Holgado G. , Zapatero Osorio M. R. , Morales J. C. , Amado P. J. , Passegger V. M. , Quirrenbach A. , Reiners A. , Ribas I. , Sanz-Forcada J. , Schweitzer A. , Seifert W. , Solano E.
Published: July 2020

Context. The relevance of M dwarfs in the search for potentially habitable Earth-sized planets has grown significantly in the last years.

Aims. In our on-going effort to comprehensively and accurately characterise confirmed and potential planet-hosting M dwarfs, in particular for the CARMENES survey, we have carried out a comprehensive multi-band photometric analysis involving spectral energy distributions, luminosities, absolute magnitudes, colours, and spectral types, from which we have derived basic astrophysical parameters.

Methods. We have carefully compiled photometry in 20 passbands from the ultraviolet to the mid-infrared, and combined it with the latest parallactic distances and close-multiplicity information, mostly from Gaia DR2, of a sample of 2479 K5 V to L8 stars and ultracool dwarfs, including 2210 nearby, bright M dwarfs. For this, we made extensive use of Virtual Observatory tools.

Results. We have homogeneously computed accurate bolometric luminosities and effective temperatures of 1843 single stars, derived their radii and masses, studied the impact of metallicity, and compared our results with the literature. The over 40 000 individually inspected magnitudes, together with the basic data and derived parameters of the stars, individual and averaged by spectral type, have been made public to the astronomical community. In addition, we have reported 40 new close multiple systems and candidates (ρ <  3.3 arcsec) and 36 overluminous stars that are assigned to young Galactic populations.

Conclusions. In the new era of exoplanet searches around M dwarfs via transit (e.g. TESS, PLATO) and radial velocity (e.g. CARMENES, NIRPS+HARPS), this work is of fundamental importance for stellar and therefore planetary parameter determination.
Obliquity measurement and atmospheric characterisation of the WASP-74 planetary system
Authors: Luque R. , Casasayas-Barris N. , Parviainen H. , Chen G. , Pallé E. , Livingston J. , Béjar V. J. S. , Crouzet N. , Esparza-Borges E. , Fukui A. , Hidalgo D. , Kawashima Y. , Kawauchi K. , Klagyivik P. , Kurita S. , Kusakabe N. , de Leon J. P. , Madrigal-Aguado A. , Montañés-Rodríguez P. , Mori M. , Murgas F. , Narita N. , Nishiumi T. , Nowak G. , Oshagh M. , Sánchez-Benavente M. , Stangret M. , Tamura M. , Terada Y. , Watanabe N.
Published: July 2020

We present new transit observations of the hot Jupiter WASP-74 b (Teq ~ 1860 K) using the high-resolution spectrograph HARPS-N and the multi-colour simultaneous imager MuSCAT2. We refined the orbital properties of the planet and its host star and measured its obliquity for the first time. The measured sky-projected angle between the stellar spin-axis and the orbital axis of the planet is compatible with an orbit that is well-aligned with the equator of the host star (λ = 0.77 ± 0.99 deg). We are not able to detect any absorption feature of Hα or any other atomic spectral features in the high-resolution transmission spectra of this source owing to low S/N at the line cores. Despite previous claims regarding the presence of strong optical absorbers such as TiO and VO gases in the atmosphere of WASP-74 b, new ground-based photometry combined with a reanalysis of previously reported observations from the literature show a slope in the low-resolution transmission spectrum that is steeper than expected from Rayleigh scattering alone.
High-resolution observations of the solar photosphere, chromosphere, and transition region
Authors: Rouppe van der Voort L. H. M. , De Pontieu B. , Carlsson M. , de la Cruz Rodríguez J. , Bose S. , Chintzoglou G. , Drews A. , Froment C. , Gošić M. , Graham D. R. , Hansteen V. H. , Henriques V. M. J. , Jafarzadeh S. , Joshi J. , Kleint L. , Kohutova P. , Leifsen T. , Martínez-Sykora J. , Nóbrega-Siverio D. , Ortiz A. , Pereira T. M. D. , Popovas A. , Quintero Noda C. , Sainz Dalda A. , Scharmer G. B. , Schmit D. , Scullion E. , Skogsrud H. , Szydlarski M. , Timmons R. , Vissers G. J. M. , Woods M. M. , Zacharias P.
Published: July 2020

NASA’s Interface Region Imaging Spectrograph (IRIS) provides high-resolution observations of the solar atmosphere through ultraviolet spectroscopy and imaging. Since the launch of IRIS in June 2013, we have conducted systematic observation campaigns in coordination with the Swedish 1 m Solar Telescope (SST) on La Palma. The SST provides complementary high-resolution observations of the photosphere and chromosphere. The SST observations include spectropolarimetric imaging in photospheric Fe I lines and spectrally resolved imaging in the chromospheric Ca II 8542 Å, Hα, and Ca II K lines. We present a database of co-aligned IRIS and SST datasets that is open for analysis to the scientific community. The database covers a variety of targets including active regions, sunspots, plages, the quiet Sun, and coronal holes.
Gaia-DR2 extended kinematical maps
Authors: Chrobáková Ž. , López-Corredoira M. , Sylos Labini F. , Wang H.-F. , Nagy R.
Published: July 2020

Context.Recent statistical deconvolution methods have produced extended kinematical maps in a range of heliocentric distances that are a factor of two to three larger than those analysed in Gaia Collaboration (2018, A&A, 616, A11) based on the same data.

Aims.In this paper, we use such maps to derive the rotation curve both in the Galactic plane and in off-plane regions and to analyse the density distribution.

Methods.By assuming stationary equilibrium and axisymmetry, we used the Jeans equation to derive the rotation curve. Then we fit it with density models that include both dark matter and predictions of the MOND (Modified Newtonian dynamics) theory. Since the Milky Way exhibits deviations from axisymmetry and equilibrium, we also considered corrections to the Jeans equation. To compute such corrections, we ran N-body experiments of mock disk galaxies where the departure from equilibrium becomes larger as a function of the distance from the centre.

Results.The rotation curve in the outer disk of the Milky Way that is constructed with the Jeans equation exhibits very low dependence onRandzand it is well-fitted both by dark matter halo and MOND models. The application of the Jeans equation for deriving the rotation curve, in the case of the systems that deviate from equilibrium and axisymmetry, introduces systematic errors that grow as a function of the amplitude of the average radial velocity. In the case of the Milky Way, we can observe that the amplitude of the radial velocity reaches ∼10% that of the azimuthal one atR ≈ 20 kpc. Based on this condition, using the rotation curve obtained from the Jeans equation to calculate the mass may overestimate its measurement.