bluuebunny/crossref_metadata_2025 huggingface dataset:
Automatic classification of participant roles in cyberbullying: Can we detect victims, bullies, and bystanders in social media text?
Authors: Jacobs Gilles , Van Hee Cynthia , Hoste Véronique
Published: November 2020

Successful prevention of cyberbullying depends on the adequate detection of harmful messages. Given the impossibility of human moderation on the Social Web, intelligent systems are required to identify clues of cyberbullying automatically. Much work on cyberbullying detection focuses on detecting abusive language without analyzing the severity of the event nor the participants involved. Automatic analysis of participant roles in cyberbullying traces enables targeted bullying prevention strategies. In this paper, we aim to automatically detect different participant roles involved in textual cyberbullying traces, including bullies, victims, and bystanders. We describe the construction of two cyberbullying corpora (a Dutch and English corpus) that were both manually annotated with bullying types and participant roles and we perform a series of multiclass classification experiments to determine the feasibility of text-based cyberbullying participant role detection. The representative datasets present a data imbalance problem for which we investigate feature filtering and data resampling as skew mitigation techniques. We investigate the performance of feature-engineered single and ensemble classifier setups as well as transformer-based pretrained language models (PLMs). Cross-validation experiments revealed promising results for the detection of cyberbullying roles using PLM fine-tuning techniques, with the best classifier for English (RoBERTa) yielding a macro-averaged${F_1}$-score of 55.84%, and the best one for Dutch (RobBERT) yielding an${F_1}$-score of 56.73%. Experiment replication data and source code are available athttps://osf.io/nb2r3.
Awareness and use of nutrition information predict measured and self-rated diet quality of older adults in the USA
Authors: Vaudin Anna , Wambogo Edwina , Moshfegh Alanna , Sahyoun Nadine R
Published: November 2020

Objectives:

To examine: (1) diet quality of older adults, using the Healthy Eating Index 2010 (HEI-2010) and self-rated diet quality, (2) characteristics associated with reported awareness and use of nutrition information and (3) factors associated with HEI score and self-rated diet quality.

Design:

Cross-sectional study. Based on Day 1 and/or Day 2 dietary recalls, the Per-Person method was used to estimate HEI-2010 component and total scores.T-tests and ANOVA were used to compare means. Logistic and linear regressions were used to test for associations with diet quality, controlling for potential confounders.

Setting:

National Health and Nutrition Examination Survey, 2009–2014.

Participants:

Three thousand and fifty-six adults, aged 60 years and older, who completed at least one 24-h recall and answered questions on awareness and use of nutrition information.

Results:

Mean HEI score for men was significantly lower than for women (56·4 ± 0·6v. 60·2 ± 0·6,P< 0·0001). Compared with men, more women were aware of (44·8 %v. 33·7 %,P< 0·05) and used (13·7 %v. 5·9 %,P< 0·05) nutrition information. In multivariable analyses, awareness and use of nutrition information were significant predictors of both HEI and self-rated diet quality for both women and men. Groups with lower nutrition awareness included men, non-Whites, participants in nutrition assistance programmes and those with lower education and socio-economic status.

Conclusions:

Nutrition awareness and use of nutrition information are associated with diet quality in adults 60 years and older. Gaps in awareness of dietary guidelines in certain segments of the older adult population suggest that targeted education may improve diet quality for these groups.
Compact stack EBG structure for enhanced isolation between stack patch antenna array elements for MIMO application
Authors: Kadu Mahesh B. , Rayavarapu Neela
Published: November 2020

In this research article, a compact wideband stack patch antenna array integrated with compact stack electromagnetic band gap (EBG) structure for multiple input multiple output (MIMO) application is proposed. The wide resonance bandwidth is achieved at 2.45 GHz band by stack arrangement of compact meander line slot driven and parasitic patch elements. The isolation bandwidth is matched with resonance bandwidth with the design of a compact stack L slot EBG structure. The polarization diversity and three-layer EBG structure ensure an enhancement in isolation level. To validate the performance of the proposed stack antenna array, a prototype was fabricated and tested for different MIMO parameters. The measured result confirms the effectiveness of the proposed antenna array in a diverse MIMO environment.
The Language of Being Alone and Being With Others
Authors: Uziel Liad
Published: November 2020

Abstract. This article explores people’s perception of their experience while being alone or being with others. To that aim, data from nine studies (total N = 1,717) were meta-analyzed. In each study, participants performed a sentence-completion task referring to their experience alone/“with others”. The responses were analyzed using a text analysis software. Results showed that in a “with others” (vs. alone) mindset, people are more focused on the present, and less focused on the past or the future. When “with others,” more anxiety but less sadness is expressed. Social motives – affiliation and power – are more pronounced in the “with others” mindset, whereas leisure activities are salient in the alone mindset. Conclusions are derived regarding the nature of the experience in these basic conditions.
OI 630.0‐nm and N2 1PG Emissions in Pulsating Aurora Events Observed by an Optical Spectrograph at Tromsø, Norway
Authors: Tsuda T. T. , Li C. , Hamada S. , Hosokawa K. , Oyama S.‐i. , Nozawa S. , Kawabata T. , Mizuno A. , Kurihara J. , Nishiyama T. , Kosch M. J.
Published: November 2020

We performed observations of pulsating aurora (PsA) with an optical spectrograph at Tromsø, Norway, during wintertime in 2016–2017. The data analysis of multiple PsA events revealed the PsA spectra for the first time. As the results, the OI 630.0‐nm emissions and the N2 1PG emissions were found in the both spectra during brighter (ON) and darker (OFF) phases in the PsA events. The spectra of pulsations were derived as difference spectra between the ON and OFF spectra. From the obtained spectra of pulsations, it is found that dominant pulsations at 630.0 nm were coming from the N2 1PG (10,7) band, and there were less or minor contributions of the OI 630.0 nm to pulsations at 630.0 nm.
Seasonal Cycle of Isotope‐Based Source Apportionment of Elemental Carbon in Airborne Particulate Matter and Snow at Alert, Canada
Authors: Rodríguez B. T. , Huang L. , Santos G. M. , Zhang W. , Vetro V. , Xu X. , Kim S. , Czimczik C. I.
Published: November 2020

Elemental carbon (EC) is a major light‐absorbing component of atmospheric aerosol particles. Here, we report the seasonal variation in EC concentrations and sources in airborne particulate matter (PM) and snow at Alert, Canada, from March 2014 to June 2015. We isolated the EC fraction with the EnCan‐Total‐900 (ECT9) protocol and quantified its stable carbon isotope composition (δ13C) and radiocarbon content (∆14C) to apportion EC into contributions from fossil fuel combustion and biomass burning (wildfires and biofuel combustion). Ten‐day backward trajectories show EC aerosols reaching Alert by traveling over the Arctic Ocean from the Russian Arctic during winter and from North America (>40°N) during summer. EC concentrations range from 1.8–135.3 ng C m−3 air (1.9–41.2% of total carbon [TC], n = 48), with lowest values in summer (1.8–44.5 ng C m−3 air, n = 9). EC in PM (Δ14C = ‐532 ± 114‰ [ave. ± SD, n = 20]) and snow (−257 ± 131‰, n = 7) was depleted in 14C relative to current ambient CO2 year‐round. EC in PM mainly originated from liquid and solid fossil fuels from fall to spring (47–70% fossil), but had greater contributions from biomass burning in summer (48–80% modern carbon). EC in snow was mostly from biomass burning (53–88%). Our data show that biomass burning EC is preferentially incorporated into snow because of scavenging processes within the Arctic atmosphere or long‐range transport in storm systems. This work provides a comprehensive view of EC particles captured in the High Arctic through wet and dry deposition and demonstrates that surface stations monitoring EC in PM might underestimate biomass burning and transport.
Identification of Key Physical Processes and Improvements for Simulating and Predicting Net Primary Production Over the Tibetan Plateau
Authors: Sun Guodong , Mu Mu , You Qinglong
Published: November 2020

There are still considerable uncertainties related to the numerical simulation and prediction of net primary production (NPP) as an important part of terrestrial carbon sources and sinks over the Tibetan Plateau (TP). To reduce the uncertainty of numerical simulations and improve the ability of predictions, the key physical processes related to the uncertainty of simulated NPP are identified at nine observational stations over the TP. A sensitivity analysis of parameter combinations based on the Conditional Nonlinear Optimal Perturbation related to Parameters (CNOP‐P) approach, which can be used to assess the sensitivity of a parameter subset, is conducted for 28 target physical parameters in the Lund‐Potsdam‐Jena (LPJ) Wetland Hydrology and Methane Dynamic Global Vegetation Model (LPJ‐WHyMe v1.3.1). Firstly, the numerical results show that the uncertainties of physical parameters do lead to a large error in the simulated NPP over the TP, and the range of error varies from 72.4 (MS 3478) to 150.5 g C m−2 year−1 (Ngari station). Secondly, in areas of moderate precipitation over the TP, the photosynthesis is the main factor leading to high uncertainty in NPP modeling. In areas of low and high precipitation over the TP, the combined influences of hydrological processes and photosynthesis play a key role. Finally, eliminating the errors associated with the most sensitive and important parameter combinations led to the maximum benefit in terms of reducing the uncertainty of simulated NPP, when compared to that obtained with the traditional method. This study suggests that we should prioritize reducing the uncertainty of relatively sensitive parameter combinations among all physical parameters to improve the prediction or simulation ability of NPP over the TP.
A Bigger Picture of how the Tibetan Lakes Have Changed Over the Past Decade Revealed by CryoSat‐2 Altimetry
Authors: Jiang Liguang , Nielsen Karina , Andersen Ole B. , Bauer‐Gottwein Peter
Published: November 2020

Tibetan lakes are an effective indicator of climate change as they are highly sensitive to and directly affected by climate change. The past decade has seen the seven warmest years on record globally. Such observations have prompted questions about lake changes over the Tibetan Plateau. The dense coverage of the CryoSat‐2 altimeter reveals large‐scale patterns in this climate change signal. We investigate lake level variations of more than 200 lakes using altimetry observations from CryoSat‐2 during the period 2010 to 2019. Combined with GRACE/GRACE‐FO, we evaluate the water storage change of lakes and terrestrial water storage (TWS). We find that most studied lakes generally went through three phases of change, that is, rising‐hiatus/decline‐rising, albeit lakes in the north Tibetan Plateau, show higher rising rates. Results also show that lake levels are widely affected by the 2015/16 El Niño event across the entire Inner Plateau via reduced precipitation. Above normal precipitation during 2016–2018, resulted in a sharp rise of ~1.22 m on average, accounting for 56% of the decadal lake level rise (mean/median: 2.19/1.85 m). TWS in the Inner Tibetan Plateau accumulated a net gain of 70.5 km3, which is dominated by the net gain of lake water storage (ca. 63.3 km3). The interannual TWS variation is found to be associated mainly with precipitation. In particular, extreme conditions such as the 2015/16 El Niño, had a profound negative impact on the TWS. The findings in this study shed new light on the response of Tibetan lakes to recent decadal environmental changes.
The FastEddy® Resident‐GPU Accelerated Large‐Eddy Simulation Framework: Model Formulation, Dynamical‐Core Validation and Performance Benchmarks
Authors: Sauer Jeremy A. , Muñoz‐Esparza Domingo
Published: November 2020

This paper introduces a new large‐eddy simulation model, FastEddy®, purpose built for leveraging the accelerated and more power‐efficient computing capacity of graphics processing units (GPUs) toward adopting microscale turbulence‐resolving atmospheric boundary layer simulations into future numerical weather prediction activities. Here a basis for future endeavors with the FastEddy® model is provided by describing the model dry dynamics formulation and investigating several validation scenarios that establish a baseline of model predictive skill for canonical neutral, convective, and stable boundary layer regimes, along with boundary layer flow over heterogeneous terrain. The current FastEddy® GPU performance and efficiency gains versus similarly formulated, state‐of‐the‐art CPU‐based models is determined through scaling tests as 1 GPU to 256 CPU cores. At this ratio of GPUs to CPU cores, FastEddy® achieves 6 times faster prediction rate than commensurate CPU models under equivalent power consumption. Alternatively, FastEddy® uses 8 times less power at this ratio under equivalent CPU/GPU prediction rate. The accelerated performance and efficiency gains of the FastEddy® model permit more broad application of large‐eddy simulation to emerging atmospheric boundary layer research topics through substantial reduction of computational resource requirements and increase in model prediction rate.
What Role Does Hydrological Science Play in the Age of Machine Learning?
Authors: Nearing Grey S. , Kratzert Frederik , Sampson Alden Keefe , Pelissier Craig S. , Klotz Daniel , Frame Jonathan M. , Prieto Cristina , Gupta Hoshin V.
Published: November 2020

This paper is derived from a keynote talk given at the Google's 2020 Flood Forecasting Meets Machine Learning Workshop. Recent experiments applying deep learning to rainfall‐runoff simulation indicate that there is significantly more information in large‐scale hydrological data sets than hydrologists have been able to translate into theory or models. While there is a growing interest in machine learning in the hydrological sciences community, in many ways, our community still holds deeply subjective and nonevidence‐based preferences for models based on a certain type of “process understanding” that has historically not translated into accurate theory, models, or predictions. This commentary is a call to action for the hydrology community to focus on developing a quantitative understanding of where and when hydrological process understanding is valuable in a modeling discipline increasingly dominated by machine learning. We offer some potential perspectives and preliminary examples about how this might be accomplished.
Scaling Analysis of Two‐Phase Flow in Fractal Permeability Fields
Authors: Wang Yuhang , Mckinzie Jesse , Furtado Frederico , Aryana Saman A.
Published: November 2020

Fluid mixing in permeable media is essential in many practical applications. The mixing process is a consequence of velocity fluctuations owing to geological heterogeneities and mobility contrast of fluids. Heterogeneities in natural rocks are often spatially correlated, and their properties, such as permeability, may be described using fractal distributions. This work models the fractal characteristics of such permeability fields in which the covariance function is expressed as a power‐law function. A generalized scaling relation is derived relating various fractal permeability fields using the magnitude of their fluctuations. This relation reveals the self‐similar behavior of two‐phase flow in such permeable media. To that end, a recently developed, high‐resolution numerical simulator is employed to validate the analytically derived scaling relations. Two flow problems are considered in which flow is governed by (1) a linear and (2) a nonlinear transport equation. Due to the probabilistic representation of the fractal permeability fields, a sensitivity study is conducted for each flow scenario to determine the number of realizations required for statistical convergence. Scaling analysis is performed using ensemble averages of simulated saturation profiles and their mixing lengths. Results support the validity of the developed scaling relation across the range of investigated flow conditions at intermediate times. The dynamics of linear flow in the asymptotic regime is affected by the correlation structure of heterogeneity. In nonlinear flow, scaling behavior appears to be dominated by the degree of nonlinearity.
Preparing for a future COVID-19 wave: insights and limitations from a data-driven evaluation of non-pharmaceutical interventions in Germany
Authors: Aravindakshan Ashwin , Boehnke Jörn , Gholami Ehsan , Nayak Ashutosh
Published: November 2020

To contain the COVID-19 pandemic, governments introduced strict Non-Pharmaceutical Interventions (NPI) that restricted movement, public gatherings, national and international travel, and shut down large parts of the economy. Yet, the impact of the enforcement and subsequent loosening of these policies on the spread of COVID-19 is not well understood. Accordingly, we measure the impact of NPIs on mitigating disease spread by exploiting the spatio-temporal variations in policy measures across the 16 states of Germany. While this quasi-experiment does not allow for causal identification, each policy’s effect on reducing disease spread provides meaningful insights. We adapt the Susceptible–Exposed–Infected–Recovered model for disease propagation to include data on daily confirmed cases, interstate movement, and social distancing. By combining the model with measures of policy contributions on mobility reduction, we forecast scenarios for relaxing various types of NPIs. Our model finds that in Germany policies that mandated contact restrictions (e.g., movement in public space limited to two persons or people co-living), closure of educational institutions (e.g., schools), and retail outlet closures are associated with the sharpest drops in movement within and across states. Contact restrictions appear to be most effective at lowering COVID-19 cases, while border closures appear to have only minimal effects at mitigating the spread of the disease, even though cross-border travel might have played a role in seeding the disease in the population. We believe that a deeper understanding of the policy effects on mitigating the spread of COVID-19 allows a more accurate forecast of disease spread when NPIs are partially loosened and gives policymakers better data for making informed decisions.
Effect of pH on the influenza fusion peptide properties unveiled by constant-pH molecular dynamics simulations combined with experiment
Authors: Lousa Diana , Pinto Antónia R. T. , Campos Sara R. R. , Baptista António M. , Veiga Ana S. , Castanho Miguel A. R. B. , Soares Cláudio M.
Published: November 2020

The influenza virus fusion process, whereby the virus fuses its envelope with the host endosome membrane to release the genetic material, takes place in the acidic late endosome environment. Acidification triggers a large conformational change in the fusion protein, hemagglutinin (HA), which enables the insertion of the N-terminal region of the HA2 subunit, known as the fusion peptide, into the membrane of the host endosome. However, the mechanism by which pH modulates the molecular properties of the fusion peptide remains unclear. To answer this question, we performed the first constant-pH molecular dynamics simulations of the influenza fusion peptide in a membrane, extending for 40 µs of aggregated time. The simulations were combined with spectroscopic data, which showed that the peptide is twofold more active in promoting lipid mixing of model membranes at pH 5 than at pH 7.4. The realistic treatment of protonation introduced by the constant-pH molecular dynamics simulations revealed that low pH stabilizes a vertical membrane-spanning conformation and leads to more frequent contacts between the fusion peptide and the lipid headgroups, which may explain the increase in activity. The study also revealed that the N-terminal region is determinant for the peptide’s effect on the membrane.
Development of CpG-adjuvanted stable prefusion SARS-CoV-2 spike antigen as a subunit vaccine against COVID-19
Authors: Kuo Tsun-Yung , Lin Meei-Yun , Coffman Robert L. , Campbell John D. , Traquina Paula , Lin Yi-Jiun , Liu Luke Tzu-Chi , Cheng Jinyi , Wu Yu-Chi , Wu Chung-Chin , Tang Wei-Hsuan , Huang Chung-Guei , Tsao Kuo-Chien , Chen Charles
Published: November 2020

The COVID-19 pandemic is a worldwide health emergency which calls for an unprecedented race for vaccines and treatment. In developing a COVID-19 vaccine, we applied technology previously used for MERS-CoV to produce a prefusion-stabilized SARS-CoV-2 spike protein, S-2P. To enhance immunogenicity and mitigate the potential vaccine-induced immunopathology, CpG 1018, a Th1-biasing synthetic toll-like receptor 9 (TLR9) agonist was selected as an adjuvant candidate. S-2P in combination with CpG 1018 and aluminum hydroxide (alum) was found to be the most potent immunogen and induced high titer of neutralizing antibodies in sera of immunized mice against pseudotyped lentivirus reporter or live wild-type SARS-CoV-2. In addition, the antibodies elicited were able to cross-neutralize pseudovirus containing the spike protein of the D614G variant, indicating the potential for broad spectrum protection. A marked Th1 dominant response was noted from cytokines secreted by splenocytes of mice immunized with CpG 1018 and alum. No vaccine-related serious adverse effects were found in the dose-ranging study in rats administered single- or two-dose regimens of S-2P combined with CpG 1018 alone or CpG 1018 with alum. These data support continued development of CHO-derived S-2P formulated with CpG 1018 and alum as a candidate vaccine to prevent COVID-19 disease.
Decreased concentrations of intracellular signaling proteins in colon cancer patients with BRAF mutations
Authors: Olsen Dorte Aa. , Thomsen Caroline E. B. , Andersen Rikke F. , Madsen Jonna S. , Jakobsen Anders , Brandslund Ivan
Published: November 2020

The activation of intracellular signaling pathways plays a critical role in cancer pathogenesis. The current study aims to quantify intracellular signaling proteins in localized colon cancer tissue to investigate the prognostic value of these biomarkers and elucidate their possible relations to mutation status. Colon cancer tissue and autologous reference tissue were collected from 176 patients who underwent colon cancer surgery. Assays were developed to quantify ERK, AKT and cyclin d using single-molecule array technology. KRAS/BRAF/PIK3CA mutation status was determined using droplet digital PCR. Patients with BRAF mutations had decreased concentrations of ERK (p = 0.0003), AKT (p = 0.0001) and cyclin d (p = 0.003), while no significant differences were found between patients with KRAS mutations and wild-type patients. None of the investigated proteins were associated with disease-free survival or overall survival when all patients were included. However, when patients were stratified according to mutation status, significant correlations with overall survival were seen for patients with BRAF mutations and AKT (p = 0.002) or ERK (p = 0.03) and for KRAS mutations and cyclin d (p = 0.01). Conclusions: A strong correlation exists between intracellular signaling protein concentrations and mutational BRAF status. Overall survival in colon cancer patients depends on both gene mutation status and signaling protein concentrations.
Mycobacterial Hsp65 antigen delivered by invasive Lactococcus lactis reduces intestinal inflammation and fibrosis in TNBS-induced chronic colitis model
Authors: da Cunha Vanessa Pecini , Preisser Tatiane Melo , Santana Mariana Passos , Machado Denise Carmona Cara , Pereira Vanessa Bastos , Miyoshi Anderson
Published: November 2020

Intestinal fibrosis associated with Crohn’s disease (CD), which a common and serious complication of inflammatory bowel diseases. In this context, heat shock proteins (HSPs) might serve as an alternative treatment because these antigens play important roles in the regulation of effector T cells. We thus evaluated the anti-inflammatory and antifibrotic capacities of an invasive and Hsp65-producing strain—Lactococcus lactis NCDO2118 FnBPA+ (pXYCYT:Hsp65)—in chronic intestinal inflammation to assess its potential as an alternative therapeutic strategy against fibrotic CD. Experimental colitis was induced by 2,4,6-trinitrobenzene sulfonic acid (TNBS) in BALB/c mice, and the mice were treated orally with L. lactis NCDO2118 FnBPA+ (pXYCYT:Hsp65) via intragastric gavage. The oral administration of this strain significantly attenuated the severity of inflammation and intestinal fibrosis in mice (p < 0.05). These results are mainly justified by reductions in the levels of the pro-fibrotic cytokines IL-13 and TGF-β and increases in the concentration of the regulatory cytokine IL-10. The L. lactis NCDO2118 FnBPA+ (pXYCYT:Hsp65) strain contributed to reductions in the severity of inflammatory damage in chronic experimental CD, and these findings confirm the effectiveness of this new antifibrotic strategy based on the delivery of therapeutic proteins to inside cells of the host intestinal mucosa.
The Use of d-Amino Acids for Peptide Self-assembled Systems
Authors: Cringoli M. C. , Marchesan S.
Published: November 2020

d-Amino acids are not abundant in nature, yet they can play important biological roles and offer advantages for biomedical applications, due to their effects on peptide conformation and higher resistance against enzymatic hydrolysis. This chapter analyses existing literature on the use of d-amino acids in self-assembled systems for biomedical applications, their biological roles and consequences that arise from their presence in a peptide sequence, as well as their application in medicine and related fields with a view towards the future.
A novel ratiometric fluorescent probe for the detection of mitochondrial pH dynamics during cell damage
Authors: Fu Gaoqing , Yin Guoxing , Niu Tingting , Wu Wei , Han Hui , Chen Haimin , Yin Peng
Published: November 2020

A sensitive fluorescent probe (E)-4-(3-(benzo[d]thiazol-2-yl)-4-hydroxy-5-methylstyryl)-1-methylpyridin-1-ium iodide (HBTMP) for the monitoring of pH in mitochondria was rationally exploited.
Polarization behavior of bone marrow-derived macrophages on charged P(VDF-TrFE) coatings
Authors: Wang Zhiying , He Xuzhao , Tang Bolin , Chen Xiaoyi , Dong Lingqing , Cheng Kui , Weng Wenjian
Published: November 2020

The immune response of bone implants is closely related to the interaction between macrophages and biomaterial surfaces.
Design of oxa-spirocyclic PHOX ligands for the asymmetric synthesis of lorcaserin via iridium-catalyzed asymmetric hydrogenation
Authors: Ye Xiang-Yu , Liang Zhi-Qin , Jin Cong , Lang Qi-Wei , Chen Gen-Qiang , Zhang Xumu
Published: November 2020

A series of highly rigid oxa-spiro phosphine–oxazoline ligands (O-SIPHOX) were synthesized efficiently, their iridium complexes showed high reactivity and enantioselectivity in the synthesis of key intermediate of anti-obesity drug lorcaserin.
Negative photochromism of a blue cyanine dye
Authors: Nemoto Kazuki , Enoki Masami , Katoh Ryuzi , Suzuki Katsufumi , Murase Tetsuji , Imazeki Shigeaki
Published: November 2020

We found a novel blue cyanine dye that exhibits negative photochromism caused by E–Z isomerisation upon photoirradiation.
Correction: Metal-free [3+3] benzannulation of 1-indanylidene-malononitrile with Morita–Baylis–Hillman carbonates: direct access to functionalized fluorene and fluorenone derivatives
Authors: Xie Ya-Sa , Huang Run-Feng , Li Ran , Zhang Chuan-Bao , Fu Ji-Ya , Zhao Li-Li , Yuan Jin-Fang
Published: November 2020

Correction for ‘Metal-free [3+3] benzannulation of 1-indanylidene-malononitrile with Morita–Baylis–Hillman carbonates: direct access to functionalized fluorene and fluorenone derivatives’ by Ya-Sa Xie et al., Chem. Commun., 2020, 56, 1948–1951, DOI: 10.1039/D0CC00143K.
Oxidation of isoprene by titanium oxide cluster cations in the gas phase
Authors: Li Shu-Qiang , Lv Shi-Ying , Zhou Hai-Yan , Ding Yong-Qi , Liu Qing-Yu , Ma Jia-Bi
Published: November 2020

The reactions of isoprene with titanium oxide cluster cations were investigated. Five reaction types were classified, and several neutral oxygenated products, including CO, CH2O (formaldehyde), C3H4O, C5H6O, C5H7O and so on, were generated.
Predicting the origin of selectivity in NHC-catalyzed ring opening of formylcyclopropane: a theoretical investigation
Authors: Wang Yang , Qiao Yan , Lan Yu , Wei Donghui
Published: November 2020

Using density functional theory, we investigated the origin of selectivity in the N-heterocyclic carbene (NHC)-catalyzed transformation of formylcyclopropane with an alkylidene oxindole.
Control of magnetic anisotropy by macrocyclic ligand distortion in a family of DyIIIand ErIIIsingle molecule magnets
Authors: Gil Yolimar , Fuentealba Pablo , Vega Andrés , Spodine Evgenia , Aravena Daniel
Published: November 2020

Spacer of the N6macrocyclic ligand determines its planar distortion and modulates the magnetic anisotropy of [LnN6(NCS)3] complexes.
Visible light-mediated metal-free double bond deuteration of substituted phenylalkenes
Authors: Iakovenko Roman , Hlaváč Jan
Published: November 2020

Photoactivated metal free deuteration of a double bond was developed in an environmentally friendly manner.
Correction: Continuous reactor for renewable methanol
Authors: Tountas Athanasios A. , Ozin Geoffrey A. , Sain Mohini M.
Published: November 2020

Correction for ‘Continuous reactor for renewable methanol’ by Athanasios A. Tountas et al., Green Chem., 2020, DOI: 10.1039/d0gc03115a.
2′-O-Methyl molecular beacon: a promising molecular tool that permits elimination of sticky-end pairing and improvement of detection sensitivity
Authors: Gao Jiafeng , Li Yang , Li Wenqin , Zeng Chaofei , Xi Fengna , Huang Jiahao , Cui Liang
Published: November 2020

A novel fluorescence sensor is reported based on the employment of an intriguing 2′-O-methyl molecular beacon (MB) and DNase I, the coupled use of which is responsible for both the elimination of the sticky-end pairing effect and signal amplification capability.
Fabrication of highly active phosphatase-like fluorescent cerium-doped carbon dots for in situ monitoring the hydrolysis of phosphate diesters
Authors: Du Jinyan , Qi Shuangqing , Chen Juan , Yang Ying , Fan Tingting , Zhang Ping , Zhuo Shujuan , Zhu Changqing
Published: November 2020

The hydrolytic cleavage of BNPP was catalyzed and monitored by the fluorescent CeCDs.
Photodynamic diagnosis and photodynamic therapy of colorectal cancer in vitro and in vivo
Authors: Nompumelelo Simelane Nokuphila Winifred , Kruger Cherie Ann , Abrahamse Heidi
Published: November 2020

This review highlights the various photo diagnostic and treatment methods utilized for CRC, over the last seven years.
Machine learning forecasting of active nematics
Authors: Zhou Zhengyang , Joshi Chaitanya , Liu Ruoshi , Norton Michael M. , Lemma Linnea , Dogic Zvonimir , Hagan Michael F. , Fraden Seth , Hong Pengyu
Published: November 2020

Our model is unrolled to map an input orientation sequence (from time t-8 to t-1) to an output one (t,t + 1…) with trajectray tracing. Cyan labels are −1/2 defect while purple ones are +1/2.
Pressure tunable adhesion of rough elastomers
Authors: Deneke Naomi , Chau Allison L. , Davis Chelsea S.
Published: November 2020

The adhesion of rough surfaces comprised of dewetted thermoplastic asperities on an elastomer is controlled by changing the applied compressive load.
Ductile high-Tg epoxy systems via incorporation of partially reacted substructures
Authors: Sharifi M. , Palmese G. R.
Published: November 2020

Ductile high-Tg epoxy systems via a controlled dispersion of mono-functional components.
Operandoevidence of Cu+stabilizationviaa single-atom modifier for CO2electroreduction
Authors: Zhang Wei , He Peng , Wang Chao , Ding Tao , Chen Tao , Liu Xiaokang , Cao Linlin , Huang Tianming , Shen Xinyi , Usoltsev Oleg A. , Bugaev Aram L. , Lin Yue , Yao Tao
Published: November 2020

Single-atom Sn modified Cu2O nanosheets with stable intermediate Cu+species for efficient CO2-to-CO conversion proved byoperandoXAFS.
Na ion dynamics in P2-Nax[Ni1/3Ti2/3]O2: a combination of quasi-elastic neutron scattering and first-principles molecular dynamics study
Authors: Chen Qian , Jalarvo Niina H. , Lai Wei
Published: November 2020

The Na dynamics in P2-Nax[Ni1/3Ti2/3]O2 were investigated through a combination of QENS experiments and first-principle MD simulations.
In situ knitted microporous polymer membranes for efficient CO2 capture
Authors: Wu Yingzhen , Xing Na , Li Sen , Yang Leixin , Ren Yanxiong , Liu Yutao , Liang Xu , Guo Zheyuan , Wang Hongjian , Wu Hong , Jiang Zhongyi
Published: November 2020

We proposed an in situ knitting approach to engineering the network structure of microporous polymer membranes for synergistic optimization of gas permeance, CO2 selectivity and stability.
Phenazine anodes for ultralongcycle-life aqueous rechargeable batteries
Authors: Li Leilei , Chen Long , Wen Yuehua , Xiong Tengfei , Xu Hong , Zhang Wenfeng , Cao Gaoping , Yang Yusheng , Mai Liqiang , Zhang Hao
Published: November 2020

A nano-phenazine@Ketjen black anode was achieved by the in situ dissolution–precipitation method, possessing the cycle life of 100 000 times due to the stabilities and insolubilities of phenazine and its reduction products in aqueous electrolytes.
Natural polymer-based bioabsorbable conducting wires for implantable bioelectronic devices
Authors: Niu Qianqian , Huang Xiangyu , Lv Shasha , Yao Xiang , Fan Suna , Zhang Yaopeng
Published: November 2020

A bioabsorbable conducting wire with excellent conductivity, bioabsorbability, biocompatibility, and low weight provides the possibility to construct fully bioabsorbable implantable devices.
A vast exploration of improvising synthetic strategies for enhancing the OER kinetics of LDH structures: a review
Authors: Karmakar Arun , Karthick Kannimuthu , Sankar Selvasundarasekar Sam , Kumaravel Sangeetha , Madhu Ragunath , Kundu Subrata
Published: November 2020

The nature of LDH-based nanostructures and their role in the OER are explored, along with synthetic methods to formulate different structures via pioneering modification approaches are discussed for the first time.
Montmorillonite nanosheets with enhanced photodynamic performance for synergistic bacterial ablation
Authors: Pan Yufeng , Gao Yuting , Hu Jiayuan , Ye Guangyu , Zhou Feng , Yan Chunjie
Published: November 2020

2D-MMT nanosheets not only exhibited better physical adsorption capacity towards bacteria, but also showed more efficient photodynamic inactivation, presenting much better antibacterial ability than Na-MMT.
Surface lattice reconstruction enhanced the photoresponse performance of a self-powered ZnO nanorod arrays/Si heterojunction photodetector
Authors: Hou Zhidong , Ling Cuicui , Xue Xin , Ma Chao , Fu Jiawen , Xue Qingzhong
Published: November 2020

Surface lattice reconstruction enhanced the photoresponse performance of a self-powered ZnO NRAs/Si heterojunction UV-vis-NIR broadband photodetector.
SGLT2 inhibition versus sulfonylurea treatment effects on electrolyte and acid–base balance: secondary analysis of a clinical trial reaching glycemic equipoise: Tubular effects of SGLT2 inhibition in Type 2 diabetes
Authors: van Bommel Erik J.M. , Geurts Frank , Muskiet Marcel H.A. , Post Adrian , Bakker Stephan J.L. , Danser A.H. Jan , Touw Daan J. , van Berkel Miranda , Kramer Mark H.H. , Nieuwdorp Max , Ferrannini Ele , Joles Jaap A. , Hoorn Ewout J. , van Raalte Daniël H.
Published: November 2020

Sodium–glucose transporter (SGLT)2 inhibitors increase plasma magnesium and plasma phosphate and may cause ketoacidosis, but the contribution of improved glycemic control to these observations as well as effects on other electrolytes and acid–base parameters remain unknown. Therefore, our objective was to compare the effects of SGLT2 inhibitors dapagliflozin and sulfonylurea gliclazide on plasma electrolytes, urinary electrolyte excretion, and acid–base balance in people with Type 2 diabetes (T2D). We assessed the effects of dapagliflozin and gliclazide treatment on plasma electrolytes and bicarbonate, 24-hour urinary pH and excretions of electrolytes, ammonium, citrate, and sulfate in 44 metformin-treated people with T2D and preserved kidney function. Compared with gliclazide, dapagliflozin increased plasma chloride by 1.4 mmol/l (95% CI 0.4–2.4), plasma magnesium by 0.03 mmol/l (95% CI 0.01–0.06), and plasma sulfate by 0.02 mmol/l (95% CI 0.01–0.04). Compared with baseline, dapagliflozin also significantly increased plasma phosphate, but the same trend was observed with gliclazide. From baseline to week 12, dapagliflozin increased the urinary excretion of citrate by 0.93 ± 1.72 mmol/day, acetoacetate by 48 μmol/day (IQR 17–138), and β-hydroxybutyrate by 59 μmol/day (IQR 0–336), without disturbing acid–base balance. In conclusion, dapagliflozin increases plasma magnesium, chloride, and sulfate compared with gliclazide, while reaching similar glucose-lowering in people with T2D. Dapagliflozin also increases urinary ketone excretion without changing acid–base balance. Therefore, the increase in urinary citrate excretion by dapagliflozin may reflect an effect on cellular metabolism including the tricarboxylic acid cycle. This potentially contributes to kidney protection.
Triangular grid interconnected crossed rings antenna for large‐scale ultra‐wideband dual‐polarised arrays
Authors: Zhang Yongwei , Shi Quan , El‐Makadema Ahmed , Danoon Laith , Brown Anthony K.
Published: November 2020

An ultra‐wideband phased array antenna using interconnected elements arranged in triangular lattices is investigated. The basic unit cell of the array is a dual orthogonal crossed ring structure. Each element is interconnected to its neighbour using capacitive loading. The ring structure on a planar surface produces broad frequency bandwidth with wide scan angles. Unlike other three‐dimensional elements such as Vivaldi antennas, the interconnected crossed ring elements can be readily configured on a triangular grid. As is well known from narrow band arrays, a triangular grid allows reduction in the total number of elements needed for a given performance compared to a square grid. The array presented here applies the triangular grid to a broadband planar structure to reduce the total number of elements required by 13% while the electromagnetic behaviour of the array is essentially maintained. An array prototype of the design has been manufactured and tested. The performance is compared to the associated array with a regular square lattice. The proposed triangular grid structure is shown to be an effective solution for applications where a minimum number of elements is required for large‐scale broadband dual‐polarised antenna arrays.
SUPER
Authors: Vietri G. , Mainieri V. , Kakkad D. , Netzer H. , Perna M. , Circosta C. , Harrison C. M. , Zappacosta L. , Husemann B. , Padovani P. , Bischetti M. , Bongiorno A. , Brusa M. , Carniani S. , Cicone C. , Comastri A. , Cresci G. , Feruglio C. , Fiore F. , Lanzuisi G. , Mannucci F. , Marconi A. , Piconcelli E. , Puglisi A. , Salvato M. , Schramm M. , Schulze A. , Scholtz J. , Vignali C. , Zamorani G.
Published: November 2020

Aims.The SINFONI survey for Unveiling the Physics and Effect of Radiative feedback (SUPER) was designed to conduct a blind search for AGN-driven outflows on X-ray-selected AGNs at redshiftz ∼ 2 with high (∼2 kpc) spatial resolution, and to correlate them with the properties of their host galaxy and central black hole. The main aims of this paper are: (a) to derive reliable estimates for the masses of the black holes and accretion rates for the Type-1 AGNs in this survey; and (b) to characterise the properties of the AGN-driven winds in the broad line region (BLR).

Methods.We analysed rest-frame optical and UV spectra of 21 Type-1 AGNs. We used Hα, Hβ, and MgII line profiles to estimate the masses of the black holes. We used the blueshift of the CIV line profile to trace the presence of winds in the BLR.

Results.We find that the Hαand Hβline widths are strongly correlated, as is the line continuum luminosity at 5100 Å with Hαline luminosity, resulting in a well-defined correlation between black hole masses estimated from Hαand Hβ. Using these lines, we estimate that the black hole masses for our objects are in the range Log (MBH/M⊙) = 8.4–10.8 and are accreting atλEdd= 0.04–1.3. Furthermore, we confirm the well-known finding that the CIV line width does not correlate with the Balmer lines and the peak of the line profile is blueshifted with respect to the [OIII]-based systemic redshift. These findings support the idea that the CIV line is tracing outflowing gas in the BLR for which we estimated velocities up to ∼4700 km s−1. We confirm the strong dependence of the BLR wind velocity on the UV-to-X-ray continuum slope, the bolometric luminosity, and Eddington ratio. We infer BLR mass outflow rates in the range 0.005–3M⊙yr−1, revealing a correlation with the bolometric luminosity consistent with that observed for ionised winds in the narrow line region (NLR), and X-ray winds detected in local AGNs, and kinetic power ∼10−7 − 10−4 × LBol. The coupling efficiencies predicted by AGN-feedback models are much higher than the values reported for the BLR winds in the SUPER sample; although it should be noted that only a fraction of the energy injected by the AGN into the surrounding medium is expected to become kinetic power in the outflow. Finally, we find an anti-correlation between the equivalent width of the [OIII] line and the CIV velocity shift, and a positive correlation between this latter parameter and [OIII] outflow velocity. These findings, for the first time in an unbiased sample of AGNs atz ∼ 2, support a scenario where BLR winds are connected to galaxy-scale detected outflows, and are therefore capable of affecting the gas in the NLR located at kiloparsec scale distances.
MIGHTEE-HI: The H I emission project of the MeerKAT MIGHTEE survey
Authors: Maddox N. , Frank B. S. , Ponomareva A. A. , Jarvis M. J. , Adams E. A. K. , Davé R. , Oosterloo T. A. , Santos M. G. , Blyth S. L. , Glowacki M. , Kraan-Korteweg R. C. , Mulaudzi W. , Namumba B. , Prandoni I. , Rajohnson S. H. A. , Spekkens K. , Adams N. J. , Bowler R. A. A. , Collier J. D. , Heywood I. , Sekhar S. , Taylor A. R.
Published: November 2020

We present the H Iemission project within the MIGHTEE survey, currently being carried out with the newly commissioned MeerKAT radio telescope. This is one of the first deep, blind, medium-wide interferometric surveys for neutral hydrogen (H I) ever undertaken, extending our knowledge of H Iemission toz = 0.6. The science goals of this medium-deep, medium-wide survey are extensive, including the evolution of the neutral gas content of galaxies over the past 5 billion years. Simulations predict nearly 3000 galaxies over 0 <  z <  0.4 will be detected directly in H I, with statistical detections extending toz = 0.6. The survey allows us to explore H Ias a function of galaxy environment, with massive groups and galaxy clusters within the survey volume. Additionally, the area is large enough to contain as many as 50 local galaxies with H Imass < 108M⊙, which allows us to study the low-mass galaxy population. The 20 deg2main survey area is centred on fields with exceptional multi-wavelength ancillary data, with photometry ranging from optical through far-infrared wavelengths, supplemented with multiple spectroscopic campaigns. We describe here the survey design and the key science goals. We also show first results from the Early Science observations, including kinematic modelling of individual sources, along with the redshift, H I, and stellar mass ranges of the sample to date.
New insight on studying the effect of both chemical sensitivity and rock mechanical properties in shale formation to minimize wellbore instability problems
Authors: Alqam Mohammad H. , Abass Hazim H. , Shebatalhmad Abdullah M.
Published: November 2020

Historically, many of the wells drilled in in shale formations have experienced a significant rig downtime due to wellbore instabilities. Most of the instability problems originated from the encountered shale formations. The objectives of this study include (1) to measure the properties governing shale strength and drilling fluid/shale interaction, and (2) to establish a reliable and efficient rock mechanical testing procedures related to wellbore stability. Preserved shale core has been recovered from shale formation and special core handling procedure was implemented. Mineral oil was used for plugging and core preservation. Rock mechanical characterization was conducted on core samples using both XRD/SEM techniques to study the core mineralogy. In addition, shale permeability was determined by two methods: flow testing and pressure transition methods. The results indicated that shale has high percentage of quartz (30-40%) which causes the shale to have high porosity and high permeability. The unconfined compressive strength of shale is very low which any drilling fluid that contains water phase further reduces. The Young’s modulus is very low which makes near wellbore deformation high. Based on the shale swelling testing, the all-oil fluid show no volume change occurred to the shale. When the same shale was exposed to the 7% KCl, about 16% increase in core volume occurred in 48 hours. This means that all samples allowed the water to flow into the shale formation.
Elasto – plastic modelling of the behaviour of non - active clays under chemo – mechanical actions
Authors: Musso Guido , Scelsi Giulia , Della Vecchia Gabriele
Published: November 2020

Environmental variables such as temperature, matric suction and pore fluid composition are well known to influence the hydro-mechanical behavior of clays and shales. The type and the relevance of this influence depends on the mineralogical composition and on the fabric of the material. Soil activity is an engineering proxy for mineralogical composition which can be used for a preliminary characterization of the expected type of behaviour under chemical actions, if those do not imply very significant cation exchange or pH variations. Very large chemo-mechanical effects occur in highly active soils used in engineering works such as barriers for nuclear waste or landfills, however concentration changes also impact on the mechanical behavior of non – active soils and rocks, such as illitic or natural blends of clays. Such materials are widely distributed in nature and their mechanical response upon chemical changes can be problematic in many cases. Examples of engineering relevance include vast slope instabilities promoted by fabric changes due to desalinization in Scandinavian quick clays, and instability or convergence issues for boreholes drilled in shales exposed to muds with a different chemical composition from the one of the pore fluid. An elastoplastic model is formulated to simulate the volumetric behaviour of such materials along chemical and mechanical loads. In addition to the parameters of the Modified Cam Clay, it requires defining the dependency of the elasto-plastic compliance and reference void ratio on pore fluid salinity. The model performs well against experiments from literature where complex chemo-mechanical histories were imposed.