bluuebunny/crossref_metadata_2025 huggingface dataset:
Synthesis and biological evaluation of heteroalicyclic cyanoguanidines at histamine receptors
Authors: Soliman Beatrice , Wang Ning , Zagotto Giuseppe , Pockes Steffen
Published: July 2019

Recent studies on histamine receptor (HR) subtypes identified imidazolyl butyl cyanoguanidines, like UR‐PI376, as highly potent agonists at the human histamine H4 receptor (hH4R). While imidazole‐containing compounds display drawbacks in pharmacokinetics, we studied the possibility of replacing the heteroaromatic cycle by nonaromatic six‐membered heterocycles (piperidine, morpholine, thiomorpholine, and N‐methylpiperazine) as potential bioisosteres. Beyond that, this approach should give more information about the indispensability of the aromatic ring as a basic head group. Besides these changes, a variation of the spacer length (C3–C5) connecting the heterocycle and the cyanoguanidine moiety has been made to possibly trigger the selectivity towards the respective HRs. Investigations in radioligand‐binding assays exhibited only very weak activity at the hH1R and hH3R, while nearly all compounds were inactive at the hH2R and hH4R. In the case of piperidine‐containing compounds, moderate affinities at the hH3R over the single‐digit micromolar range were detected.
Stabilizing Metal–Organic Polyhedra (MOP): Issues and Strategies
Authors: Mollick Samraj , Fajal Sahel , Mukherjee Soumya , Ghosh Sujit K.
Published: July 2019

Metal–organic polyhedra (MOPs) are discrete, metal–organic molecular entities composed of edge‐sharing molecular polygons or connected molecular vertices. Unlike the infinite metal–organic coordination networks popularized by metal–organic frameworks (MOFs), spherical MOPs, also known as nanocages, nanospheres, nanocapsules, or nanoballs, are obtained through the self‐organization of metal–carboxylate or metal–pyridine/pyrimidine links to afford cage‐like nanoarchitectures. MOPs offer much promise as porous materials owing to their well‐defined structures and solution processability. However, these advantages become moot if their poor aqueous stability and/or guest‐removal‐induced aggregation handicaps remain unaddressed. The concise premise of this contribution limits our discussion to the design principles in action behind recent developments in stable carboxylate MOPs. To highlight the structure–property relationships between the structural and compositional features of these metal carboxylate polyhedra, related scientific challenges and state‐of‐the‐art research directions for further exploration are presented in brief.
Tag‐Convertible Photocrosslinker with Click‐On/Off N‐Acylsulfonamide Linkage for Protein Identification
Authors: Hayashi Ryuji , Morimoto Shota , Tomohiro Takenori
Published: July 2019

The N‐acylsulfonamide group, known as a safety‐catch linker, has been applied to photoaffinity labeling (PAL) using a cinnamate‐type photocrosslinker to improve the efficiency of PAL‐based target identification. A bioorthogonal sulfo‐click reaction was used to stably link a photocrosslinker unit with N‐acylsulfonamide linkage to produce a photoactivatable probe without any protection. In addition, the crosslinked protein was selectively isolated with a small cinnamate tag via linkage disruption upon N‐alkylation. Furthermore, the tag moiety was photochemically converted to a stable coumarin derivative by losing a water molecule, which is a useful property in MS‐based identification.
Predicting ships' CO2emissions using feature‐oriented methods
Authors: Reis Marco S. , Rendall Ricardo , Palumbo Biagio , Lepore Antonio , Capezza Christian
Published: July 2019

Shipping companies are forced by the current EU regulation to set up a system for monitoring, reporting, and verification of harmful emissions from their fleet. In this regulatory background, data collected from onboard sensors can be utilized to assess the ship's operating conditions and quantify its CO2emission levels. The standard approach for analyzing such data sets is based on summarizing the measurements obtained during a given voyage by the average value. However, this compression step may lead to significant information loss since most variables present a dynamic profile that is not well approximated by the average value only. Therefore, in this work, we test two feature‐oriented methods that are able to extract additional features, namely, profile‐driven features (PdF) and statistical pattern analysis (SPA). A real data set from a Ro‐Pax ship is then considered to test the selected methods. The data set is segregated according to the voyage distance into short, medium, and long routes. Both PdF and SPA are compared with the standard approach, and the results demonstrate the benefits of employing more systematic and informative feature‐oriented methods. For the short route, no method is able to predict CO2emissions in a satisfactory way, whereas for the medium and long routes, regression models built using features obtained from both PdF and SPA improve their prediction performance. In particular, for the long route, the standard approach failed to provide reasonably good predictions.
Developing ‘active citizens’: Arts Award, creativity and impact
Authors: Robinson Yvonne , Paraskevopoulou Anna , Hollingworth Sumi
Published: July 2019

Creativity has become the new watchword in UK academic and policy circles. Within this context, policy discussions about the arts and their impact emphasise economic benefits over educational value, drawing clear distinctions between quantifiable or ‘hard’ measures of impact and those described as ‘soft’, less tangible and lacking a strong evidence base. Departing from the binary logics often underpinning notions of arts impacts, this article is novel in exploring the entwined relationship between impacts seen as ‘hard’ and ‘soft’. We draw on research examining the links between arts education and young people's future trajectories and use the concept of ‘active citizenship’ to show how informal, softer skills fostered through creative learning are an important part of citizenship‐making for some young people. Participants’ accounts show how improvements in soft skills can give young people opportunities for agency, which shape progression pathways leading to measurable change. This finding is directly relevant in the context of evaluations of arts impacts in the UK and abroad, and should encourage further examination of the impact of creative learning on transfer of skills as well as policy developments in this area.
Functionalized pyrene‐based AIEgens: synthesis, photophysical characterization and density functional theory studies
Authors: Mohan Makesh , James Juliya , Satyanarayan M.N. , Trivedi Darshak R.
Published: July 2019

Three new pyrene‐based derivatives P1, P2 and P3 with a substituted pyrazole were designed, synthesized and characterized using standard spectroscopic techniques. Ultraviolet–visible (UV–vis) spectroscopic studies for P1–P3 uncovered a finite bathochromic shift of the molecules in solvents of varying polarity. Photoluminescence (PL) studies revealed the significant fluorescence emission of all molecules in higher polar solvents such as MeOH and dimethylformamide (DMF). Fluorescence quantum yield studies demonstrated the importance of P3 possessing cyanofunctionality for imparting higher emission with a quantum yield of 0.36%. Ratiometric studies performed in a tetrahydrofuran (THF)/H2O mixture indicated fluorescence enhancement with increasing overall percentage of water, confirming the aggregation‐induced emission effect. Cyclic voltammetry study of molecules P1–P3 revealed an irreversible oxidation peak and the band gaps were calculated to be 2.26 eV for P1 and 2.31 eV for P2 and P3 respectively. Density functional theory (DFT) studies performed on molecules P1–P3 validate the structure correlation of the molecules. Theoretically estimated highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO) and bandgap correlated well with the experimental values. Furthermore, time‐dependent (TD)DFT showed that the major contribution for the electronic transitions occurring in the system was governed by HOMO‐1 and LUMO+1 orbitals.
Human entorhinal cortex electrical stimulation evoked short‐latency potentials in the broad neocortical regions: Evidence from cortico‐cortical evoked potential recordings
Authors: Takeyama Hirofumi , Matsumoto Riki , Usami Kiyohide , Nakae Takuro , Kobayashi Katsuya , Shimotake Akihiro , Kikuchi Takayuki , Yoshida Kazumichi , Kunieda Takeharu , Miyamoto Susumu , Takahashi Ryosuke , Ikeda Akio
Published: July 2019

Objective

We aimed at clarifying the clinical significance of the responses evoked by human entorhinal cortex (EC) electrical stimulation by means of cortico‐cortical evoked potentials (CCEPs).

Methods

We enrolled nine patients with medically intractable medial temporal lobe epilepsy who underwent invasive presurgical evaluations with subdural or depth electrodes. Single‐pulse electrical stimulation was delivered to the EC and fusiform gyrus (FG), and their evoked potentials were compared. The correlation between the evoked potentials and Wechsler Memory Scale‐Revised (WMS‐R) score was analyzed to investigate whether memory circuit was involved in the generation of the evoked potentials.

Results

In most electrodes placed on the neocortex, EC stimulation induced unique evoked potentials with positive polarity, termed as “widespread P1” (P1w). Compared with FG stimulation, P1w induced by EC stimulation were distinguished by their high occurrence rate, short peak latency (mean: 20.1 ms), small peak amplitude, and waveform uniformity among different recording sites. A stimulation of more posterior parts of the EC induced P1w with shorter latency and larger amplitude. P1w peak amplitude had a positive correlation (r = .69) with the visual memory score of the WMS‐R. In one patient, with depth electrode implanted into the hippocampus, the giant evoked potentials were recorded in the electrodes of the anterior hippocampus and EC near the stimulus site.

Conclusions

The human EC electrical stimulation evoked the short‐latency potentials in the broad neocortical regions. The origin of P1w remains unclear, although the limited evidence suggests that P1w is the far‐field potential by the volume conduction of giant evoked potential from the EC itself and hippocampus. The significance of the present study is that those evoked potentials may be a potential biomarker of memory impairment in various neurological diseases, and we provided direct evidence for the functional subdivisions along the anterior–posterior axis in the human EC.
Resilience of sustainability‐oriented and financially‐driven organizations
Authors: Carmeli Abraham , Dothan Ari , Boojihawon Dev Kumar
Published: July 2019

To answer key questions concerning how negative and positive financial performance gaps motivate organizations to build more resilient systems, we develop a conceptual process model to reveal the process by which financially and sustainability‐driven organizations can translate these negative and positive financial performance gaps into organizational resilience. We specify the different modes of search behaviors that these organizations pursue when encountering negative and positive financial performance gaps. We then expand on group engagement model to theorize that vicarious search is likely to encourage limiting behaviors, whereas internal search is likely to foster promotion behaviors. Finally, we explain how both promoting and limiting behaviors can be helpful in improving organizational resilience. In this way, we hope to advance research that connects and integrates relatively disparate realms and, more specifically, to contribute to the sustainability, resilience, and performance feedback literatures.
Corporates' strategic responses to economic policy uncertainty in China
Authors: Mirza Sultan Sikandar , Ahsan Tanveer
Published: July 2019

Using a novel news‐based index of economic policy uncertainty, this paper studies the impact of economic policy uncertainty on corporate strategic positioning and corporate risk in China from 2009 to 2015. The study also investigates the impact of corporate strategic positioning on corporate risk. The results show that corporate strategic positioning and economic policy uncertainty have a significant positive impact on corporate risk. The results also explain that economic policy uncertainty increases the market risk of the firms irrespective of their corporate strategy. However, it increases the business risk of prospector firms and decreases the business risk of defensive firms. The study may help the firms to formulate and improve their strategic positioning while considering economic policy uncertainty. Our results are robust to alternate proxies of economic policy uncertainty and corporate risk.
Effect of chronic lymphocytic thyroiditis on the efficacy and safety of ultrasound‐guided radiofrequency ablation for papillary thyroid microcarcinoma
Authors: Zhang Yan , Zhang Ming‐bo , Luo Yu‐kun , Li Jie , Zhang Ying , Tang Jie
Published: July 2019

Background

Chronic lymphocytic thyroiditis (CLT) is an autoimmune disease commonly associated with papillary thyroid carcinoma characterized by a smaller primary tumor size at presentation. The efficacy and safety of ultrasound‐guided radiofrequency ablation (RFA) for papillary thyroid microcarcinoma (PTMC) coexisting with CLT is still unknown.

Methods

Sixty patients with unifocal PTMC were enrolled and classified into PTMC and PTMC+CLT groups (n = 30/group). CLT was diagnosed histopathologically. The ablation area exceeded the tumor margins, and was evaluated by US and contrast‐enhanced US (CEUS) for residual tumor to prevent recurrence. Three months after ablation, US‐guided core‐needle biopsy was performed to assess the presence of residual and recurrent cancer. Preoperative and postoperative data on patients and tumors were recorded and analyzed.

Results

There were no differences between groups in age, sex, preoperative tumor volume, ablation time, or ablation power (P > 0.05). There was also no significant difference in postoperative ablation zone volume between the groups at the 1‐, 3‐, 6‐, 12‐, and 18‐month follow‐ups (P > 0.05). The volume reduction rate significantly differed between the two groups at month 3 (P = 0.03). The ablation area could not be identified on US and CEUS at 9.8 ± 5.0 and 10.0 ± 4.8 months in the PTMC and PTMC + CLT groups, respectively (P = 0.197). No serious complications occurred during and after ablation. No residual cancer cells were found on biopsy after ablation.

Conclusions

RFA was effective in patients with PTMC+CLT, and its therapeutic efficacy and safety were similar to those in patients with PTMC without CLT.
Semi‐Batch Photocatalytic Reduction of Nitrates: Role of Process Conditions and Co‐Catalysts
Authors: Bahadori Elnaz , Tripodi Antonio , Ramis Gianguido , Rossetti Ilenia
Published: July 2019

Photocatalysis has been used to reduce nitrate ions from waste and drinking water. A semibatch photoreactor was developed for this process and commercial nanostructured TiO2 (P25) and TiO2 in nanosized form prepared by flame spray pyrolysis (FSP) were used as catalysts. Several noble metals were added as co‐catalyst on both titania samples and the chemical physical properties of every sample were studied by XRD, BET and UV‐Vis spectroscopy techniques. The optimum pH to reach the highest conversion of nitrates with lower selectivity toward ammonia was different for P25 and FSP samples, at basic pH and nearly neutral, respectively. The bare and doped FSP samples, with higher surface area, showed higher nitrates conversion with respect to P25‐based samples. The photocatalytic rate of nitrate reduction over undoped TiO2 was higher than that of most noble metal loaded TiO2, except Ag. The highest activity for nitrate conversion has been obtained by adding Ag on P25 and FSP, increasing the conversion up to 3.5 and 1.5 times with respect to the bare semiconductor, respectively.
New Insights into the Catalytic Activity of Cobalt Orthophosphate Co3(PO4)2from Charge Density Analysis
Authors: Keil Helena , Hellström Matti , Stückl Claudia , Herbst‐Irmer Regine , Behler Jörg , Stalke Dietmar
Published: July 2019

An extensive characterization of Co3(PO4)2was performed by topological analysis according to Bader‘s Quantum Theory of Atoms in Molecules from the experimentally and theoretically determined electron density. This study sheds light on the reactivity of cobalt orthophosphate as a solid‐state heterogeneous oxidative‐dehydration and ‐dehydrogenation catalyst. Various faces of the bulk catalyst were identified as possible reactive sites given their topological properties. The charge accumulations and depletions around the two independent five‐ and sixfold‐coordinated cobalt atoms, found in the topological analysis, are correlated to the orientation and population of the d‐orbitals. It is shown that the (011) face has the best structural features for catalysis. Fivefold‐coordinated ions in close proximity to advantageously oriented vacant coordination sites and electron depletions suit the oxygen lone pairs of the reactant, mainly for chemisorption. This is confirmed both from the multipole refinement as well as from density functional theory calculations. Nearby basic phosphate ions are readily available for C−H activation.
Selective Modification of Ribosomally Synthesized and Post‐Translationally Modified Peptides (RiPPs) through Diels–Alder Cycloadditions on Dehydroalanine Residues
Authors: de Vries Reinder H. , Viel Jakob H. , Oudshoorn Ruben , Kuipers Oscar P. , Roelfes Gerard
Published: July 2019

We report the late‐stage chemical modification of ribosomally synthesized and post‐translationally modified peptides (RIPPs) by Diels–Alder cycloadditions to naturally occurring dehydroalanines. The tail region of the thiopeptide thiostrepton could be modified selectively and efficiently under microwave heating and transition‐metal‐free conditions. The Diels–Alder adducts were isolated and the different site‐ and endo/exo isomers were identified by 1D/2D 1H NMR. Via efficient modification of the thiopeptide nosiheptide and the lanthipeptide nisin Z the generality of the method was established. Minimum inhibitory concentration (MIC) assays of the purified thiostrepton Diels–Alder products against thiostrepton‐susceptible strains displayed high activities comparable to that of native thiostrepton. These Diels–Alder products were also subjected successfully to inverse‐electron‐demand Diels–Alder reactions with a variety of functionalized tetrazines, demonstrating the utility of this method for labeling of RiPPs.
Batch Versus Flow Lithiation–Substitution of 1,3,4‐Oxadiazoles: Exploitation of Unstable Intermediates Using Flow Chemistry
Authors: Wong Jeff Y. F. , Tobin John M. , Vilela Filipe , Barker Graeme
Published: July 2019

1,3,4‐Oxadiazoles are a common motif in pharmaceutical chemistry, but few convenient methods for their modification exist. A fast, convenient, high yielding and general α‐substitution of 1,3,4‐oxadiazoles has been developed using a metalation‐electrophilic trapping protocol both in batch and under continuous flow conditions in contradiction to previous reports which suggest that α‐metalation of this ring system results in ring fragmentation. In batch, lithiation is accomplished at an industrially convenient temperature, −30 °C, with subsequent trapping giving isolated yields of up to 91 %. Under continuous flow conditions, metalation is carried out at room temperature, and subsequent in flow electrophilic trapping gave up to quantitative isolated yields. Notably, lithiation in batch at room temperature results only in ring fragmentation and we propose that the superior mixing in flow allows interception and exploitation of an unstable intermediate before decomposition can occur.
Short‐term blood pressure changes have a more strong impact on stroke and its subtypes than long‐term blood pressure changes
Authors: Guo Rongrong , Xie Yanxia , Zheng Jia , Wang Yali , Dai Yue , Sun Zhaoqing , Xing Liying , Zhang Xingang , Sun Yingxian , Zheng Liqiang
Published: July 2019

Background

Elevated blood pressure (BP) is closely related to stroke and its subtypes. However, different time periods changes in BP may result in differential risk of stroke.

Hypothesis

Short‐term blood pressure changes have a more strong impact on stroke and its subtypes than long‐term blood pressure changes.

Methods

We designed the study on the effects of short‐ (2008‐2010) and long‐term (2004‐2010) BP changes on stroke events (2011‐2017), including 22 842 and 28 456 subjects, respectively. The difference in β coefficients between short‐ and long‐term BP changes on the effects of stroke were examined using the Fisher Z test.

Results

During a median 12.5‐year follow‐up period, 1014 and 1505 strokes occurred in short‐ and long‐term groups. In short‐term group, going from prehypertension to hypertension, the risk of stroke events increased (stroke: hazard ratio [HR] = 1.537 [1.248‐1.894], ischemic stroke: 1.456 [1.134‐1.870] and hemorrhagic stroke: 1.630 [1.099‐2.415]); going from hypertension to prehypertension, the risk of stroke events decreased (stroke:0.757 [0.619‐0.927] and hemorrhagic stroke:0.569 [0.388‐0.835]). Similarly, in long‐term group, going from prehypertension to hypertension, individuals had an increased risk of stroke (1.291, 1.062‐1.569) and hemorrhagic stroke (1.818, 1.261‐2.623); going from hypertension to prehypertension, participants had a decreased risk of stroke (0.825, 0.707‐0.963) and hemorrhagic stroke (0.777, 0.575‐0.949). Furthermore, the effects of BP changes during short‐term period on stroke events were greater than that in long‐term period.

Conclusions

Short‐ and long‐terms BP changes were both associated with the risk of stroke events. Furthermore, short‐term BP changes had a stronger impact than did long‐term changes on risk of stroke events.
Synthesis of Plasmin‐Loaded Fe3O4@CaCO3 Nanoparticles: Towards Next‐Generation Thrombolytic Drugs
Authors: Serov Nikita , Prilepskii Artur , Sokolov Alexey , Vinogradov Vladimir
Published: July 2019

A major obstacle in the development of the next‐generation of thrombolytic drugs has been the fact that plasmin – a serine protease that dissolves fibrin in blood clots – despite being the only enzyme suitable for the clot cleavage, is still not used in practice due to its rapid inactivation. Here we point to a potential solution to this problem by developing a magnetically controlled system for targeted delivery and recrystallization‐driven release of plasmin showing therapeutic potential.
CO2 Reduction of Hybrid Cu2O–Cu/Gas Diffusion Layer Electrodes and their Integration in a Cu‐based Photoelectrocatalytic Cell
Authors: de Brito Juliana Ferreira , Genovese Chiara , Tavella Francesco , Ampelli Claudio , Boldrin Zanoni Maria Valnice , Centi Gabriele , Perathoner Siglinda
Published: July 2019

Cu2O/gas diffusion layer (GDL) electrodes prepared by electrodeposition were studied for the electrocatalytic reduction of CO2. The designed electrode was also tested in solar‐light‐induced CO2 conversion in combination with a CuO/NtTiO2 photoanode using a compact photoelectrocatalytic (PEC) cell. Both PEC cell electrodes were prepared using non‐critical raw materials and low cost, easily scalable procedures. In the PEC experiments, a total carbon faradaic selectivity of about 90 % to formate and about 75 % to acetate was obtained after 24 h of operations without application of potential/current or using sacrificial agents. In electrocatalytic tests of CO2 reduction at −1.5 V, the same electrode yielded high total faradaic selectivity (>95 %) but formed selectively formate (about 80 % selectivity) rather than acetate. The in situ transformation of the Cu2O/GDL electrode leads to the formation of a hybrid Cu2O–Cu/GDL system. Cyclic voltammetry data indicate that the potential and the presence of CO2 (not only of HCO3− species) are both important elements in this transformation. Data also indicate that the surface concentration of CO2 (or of its products of transformation) on the electrode is an important factor to determine performance in the conversion of CO2.
A fuzzy decision scheme for relay selection in cooperative wireless sensor network
Authors: Jain Nitin Kumar , Yadav Dharmendra Singh , Verma Ajay
Published: July 2019

In energy‐constrained military wireless sensor networks, minimizing the bit error rate (BER) with little compromise on network lifetime is one of the most challenging issues. This paper presents a new relay selection based on fuzzy logic (RSFL) scheme which provides balance between these parameters. The proposed scheme considers node's residual energy and path loss of the relay‐destination link as the input parameters for the selection of the relay node. The relay node selection by fuzzy logic is based on prioritizing higher residual energy and minimum path loss. To evaluate the performance on wireless sensor network, we compare the proposed scheme with the three existing relay selection strategies, ie, random, maximum residual energy based relay selection (MaxRes), and minimum energy consumption based relay selection (MinEnCon). The simulation results of the proposed scheme in terms of network lifetime, BER, Network Survivability Index (NSI), and average energy of network nodes have been presented and compared with different relay selection schemes. The simulation results show that the proposed RSFL scheme has the lowest BER, moderate network lifetime, average energy, and NSI.
The interaction of maternal diabetes with mutations that affect folate metabolism and how they affect the development of neural tube defects in mice
Authors: López‐Escobar Beatriz , Wlodarczyk Bogdan J. , Caro‐Vega Jose , Lin Ying , Finnell Richard H. , Ybot‐González Patricia
Published: July 2019

Background

Abnormalities in maternal folate and carbohydrate metabolism have both been shown to induce neural tube defects (NTDs) in humans and animal models. Nevertheless, how these two factors might interact in the development of NTDs remains unclear.

Results

In specific mouse models and embryo culture systems, we assessed the effects of combining maternal diabetes with mutations in genes involved in folate transport and metabolism (methylenetetrahydrofolate reductase [Mthfr] and folic acid receptor 1 [Folr1]). When maternal hyperglycemia is combined with alterations in folic acid metabolism, there appears to be an increase in the incidence of congenital malformations in the offspring, with NTDs representing the majority of the malformations detected.

Conclusions

The teratogenic effects of diabetes during pregnancy are exacerbated when combined with altered embryonic folate metabolism.
Comparing generalized and customized spread models for nonnative forest pests
Authors: Hudgins Emma J. , Liebhold Andrew M. , Leung Brian
Published: July 2019

While generality is often desirable in ecology, customized models for individual species are thought to be more predictive by accounting for context specificity. However, fully customized models require more information for focal species. We focus on pest spread and ask: How much does predictive power differ between generalized and customized models? Further, we examine whether an intermediate “semi‐generalized” model, combining elements of a general model with species‐specific modifications, could yield predictive advantages. We compared predictive power of a generalized model applied to all forest pest species (the generalized dispersal kernel or GDK) to customized spread models for three invasive forest pests (beech bark disease [Cryptococcus fagisuga], gypsy moth [Lymantria dispar], and hemlock woolly adelgid [Adelges tsugae]), for which time‐series data exist. We generated semi‐generalized dispersal kernel models (SDK) through GDK correction factors based on additional species‐specific information. We found that customized models were more predictive than the GDK by an average of 17% for the three species examined, although the GDK still had strong predictive ability (57% spatial variation explained). However, by combining the GDK with simple corrections into the SDK model, we attained a mean of 91% of the spatial variation explained, compared to 74% for the customized models. This is, to our knowledge, the first comparison of general and species‐specific ecological spread models’ predictive abilities. Our strong predictive results suggest that general models can be effectively synthesized with context‐specific information for single species to respond quickly to invasions. We provided SDK forecasts to 2030 for all 63 United States pests in our data set.
Suicidal selection: Programmed cell death can evolve in unicellular organisms due solely to kin selection
Authors: Vostinar Anya E. , Goldsby Heather J. , Ofria Charles
Published: July 2019

Unicellular organisms can engage in a process by which a cell purposefully destroys itself, termed programmed cell death (PCD). While it is clear that the death of specific cells within a multicellular organism could increase inclusive fitness (e.g., during development), the origin of PCD in unicellular organisms is less obvious. Kin selection has been shown to help maintain instances of PCD in existing populations of unicellular organisms; however, competing hypotheses exist about whether additional factors are necessary to explain its origin. Those factors could include an environmental shift that causes latent PCD to be expressed, PCD hitchhiking on a large beneficial mutation, and PCD being simply a common pathology. Here, we present results using an artificial life model to demonstrate that kin selection can, in fact, be sufficient to give rise to PCD in unicellular organisms. Furthermore, when benefits to kin are direct—that is, resources provided to nearby kin—PCD is more beneficial than when benefits are indirect—that is, nonkin are injured, thus increasing the relative amount of resources for kin. Finally, when considering how strict organisms are in determining kin or nonkin (in terms of mutations), direct benefits are viable in a narrower range than indirect benefits.

Open Research Badges

This article has been awarded Open Data and Open Materials Badges. All materials and data are publicly accessible via the Open Science Framework at https://github.com/anyaevostinar/SuicidalAltruismDissertation/tree/master/LongTerm.
Aetiology‐based clinical scenarios predict outcomes of transcatheter edge‐to‐edge tricuspid valve repair of functional tricuspid regurgitation
Authors: Schlotter Florian , Orban Mathias , Rommel Karl‐Philipp , Besler Christian , von Roeder Maximilian , Braun Daniel , Unterhuber Matthias , Borger Michael , Hagl Christian , Orban Martin , Nabauer Michael , Massberg Steffen , Thiele Holger , Hausleiter Jörg , Lurz Philipp
Published: July 2019

Aims

Transcatheter tricuspid valve repair (TTVR) is an emerging technique to treat tricuspid regurgitation (TR). Predictors of adverse outcomes are scarce, and stratification by TR aetiologies is lacking.

Methods and results

We report the bi‐centre procedural outcomes of 164 patients undergoing TTVR for TR stratified into four aetiology‐based clinical scenarios (CSs). By stepwise categorization, patients were categorized into Dialysis‐CS if they were on chronic haemodialysis; patients not undergoing dialysis with MR grade ≥ 3 into MR‐CS; patients not meeting the inclusion into Dialysis‐CS or MR‐CS with an invasively‐determined systolic pulmonary artery pressure ≥ 50 mmHg into PAPs‐CS; and the remaining patients into Afib‐CS in case a history of atrial fibrillation/flutter existed. Clinical characteristics and procedural outcomes were evaluated. Procedural success was > 80% in all CSs and decreased mortality (P = 0.03). Within the group of patients with procedural success, PAPs‐CS had the highest rates of the primary endpoint of death, heart failure hospitalization or reintervention (P = 0.01). Mortality was significantly higher in PAPs‐CS when compared to the other CSs (P = 0.03) and Dialysis‐CS had the highest mortality rate (33.3%). In all CSs, the majority of patients experienced New York Heart Association functional class improvement at follow‐up.

Conclusions

Stratification of TTVR into aetiology‐based CSs may open new paths to stratify for clinical risk and procedural benefit and may aid in the design of clinical trials in the heterogeneous TTVR patient population. Despite the observed CS outcome differences, TTVR appears feasible and safe, and confers functional improvements in patients with TR and heart failure.
Keggin‐Type Polyoxometalate Modified Ag/Graphene Composite Materials for Electrocatalytic Water Oxidation
Authors: Li Yan , Chang Xu‐Ran , Sang Xiao‐Jing , Li Jian‐Sheng , Luo Yu‐Hui , Zhu Zai‐Ming , You Wan‐Sheng
Published: July 2019

Here, two new polyoxometalate (POM)‐based biimidazole (H2biim) complexes formulated as [Ag(H2biim)2]2[Ag4(H2biim)4][(PW12O40)2] (1) and [Ag(H3biim)2][PW12O40]·4H2O (2) were synthesized by a hydrothermal method, and their structures were determined by single‐crystal X‐ray diffraction and other physico‐chemical and spectroscopic methods. Furthermore, by using 1 and 2 as precursors, graphene as a carrier and N,N‐dimethylformamide (DMF) as a reducing agent, two kinds of POM and Ag nanoparticle with high dispersion loaded graphene composite materials (denoted as PW12/Ag/graphene‐a and PW12/Ag/graphene‐b, respectively) were prepared through a one‐step synthesis method. PW12/Ag/graphene‐a and PW12/Ag/graphene‐b were applied in electrocatalytic water oxidation in neutral media and obtained lower overpotentials than the reference electrodes including Ag/graphene, PW12/graphene, and PW12/Ag/graphene owing to a synergistic role of the three components. The composite electrodes display good stability. This work provides new insight for preparing water oxidation catalysts using Ag‐based POMs as precursors.
Synthesis of 12‐epi‐Protopanaxadiol and Formal Synthesis of Ginsenoside Chikusetsusaponin‐LT8
Authors: Evanno Laurent , Belotti Damien , Toromanoff Edmond , Cossy Janine
Published: July 2019

In the context of the total synthesis of protopanaxadiol, two strategies were explored. One strategy from an optically active trienic epoxide, possessing a 5‐membered ring, prepared from (S)‐epoxy‐limonene and (S)‐epoxyfarnesol, which was submitted to Ti‐(III)‐mediated radical cascade to afford an original tetracyclic structure resulting from a 6‐endo‐trig 6‐endo‐trig 8‐endo‐trig process. A second strategy, starting from a Wieland‐Miescher‐type ketone, using a “ring‐by‐ring” synthesis allowed the synthesis of 12‐epi‐protopanaxadiol. In this latter strategy, an efficient sequence of reactions to install the two vicinal C8–C14 quaternary centers involves: i) a Barbier type reaction; ii) an oxidative allylic transposition and iii) a nickel‐catalyzed addition of trimethylaluminium. By using this second strategy, 20‐hydroxydammar‐24‐ene‐3,12‐dione was synthesized which represents a formal synthesis of chikusetsusaponin‐LT8, isolated from Panax japonicus.
Psychophysical or spinal reflex measures when assessing conditioned pain modulation?
Authors: Lie Marie Udnesseter , Petriu Elena , Matre Dagfinn , Hansson Per , Andersen Ole Kæseler , Zwart John‐Anker , Nilsen Kristian Bernhard
Published: July 2019

Background

Assessing conditioning pain modulation (CPM) with spinal reflex measures may produce more objective and stable CPM effects than using psychophysical measures. The aim of the study was to compare the CPM effect and test–retest reliability between a psychophysical protocol with thermal test‐stimulus and a spinal reflex protocol with electrical test‐stimulus.

Methods

Twenty‐five healthy volunteers participated in two identical experiments separated by minimum 1 week. The thermal test‐stimulus was a constant heat stimulation of 120 s on the subjects’ forearm with continuous ratings of pain intensity on a 10 cm visual analogue scale. The electrical test‐stimulus was repeated electrical stimulation on the arch of the foot for 120 s, which elicited a nociceptive withdrawal reflex recorded from the anterior tibial muscle. Conditioning stimulus was a 7°C water bath. Differences in the magnitude and test–retest reliability were investigated with repeated‐measures analysis of variance and by relative and absolute reliability indices.

Results

The CPM effect was −46% and 4.5% during the thermal and electrical test‐stimulus (p < 0.001) respectively. Intraclass correlation coefficient of 0.5 and 0.4 was found with the electrical and thermal test‐stimulus respectively. Wide limits of agreement were found for both the electrical (−3.4 to 3.8 mA) and the thermal test‐stimulus (−3.2 to 3.6 cm).

Conclusions

More pronounced CPM effect was demonstrated when using a psychophysical protocol with thermal test‐stimulus compared to a spinal reflex protocol with electrical test‐stimulus. Fair relative reliability and poor absolute reliability (due to high intraindividual variability) was found in both protocols.

Significance

The large difference in CPM effect between the two protocols suggests that the CPM effect relates to pain perception rather than nociception on the spinal level. Due to poor absolute intrarater reliability, we recommend caution and further research before using any of the investigated CPM protocols in clinical decision making on an individual level.
The software tool to find greener solvent replacements, PARIS III
Authors: Harten Paul , Martin Todd , Gonzalez Michael , Young Douglas
Published: July 2019

PARIS III (Program for Assisting the Replacement of Industrial Solvents III, Version 1.4.0) is a pollution prevention solvent substitution software tool used to find mixtures of solvents that are less harmful to the environment than the industrial solvents to be replaced. By searching extensively though hundreds of millions of possible solvent combinations, mixtures that perform the same as the original solvents may be found. Greener solvent substitutes may then be chosen from those mixtures that behave similarly but have less environmental impact. These extensive searches may be enhanced by fine‐tuning impact weighting factors to better reflect regional environmental concerns; and by adjusting how close the properties of the replacement must be to those of the original solvent. Optimal replacements can then be compared again and selected for better performance, but less environmental impact. This method can be a very effective way of finding greener replacements for harmful solvents used by industry.
Hydraulic flushing in soft coal sublayer: Gas extraction enhancement mechanism and field application
Authors: Zhang Hao , Cheng Yuanping , Yuan Liang , Wang Liang , Pan Zhejun
Published: July 2019

In China, one or several ultrathin soft coal sublayers are widely developed in the coal seam. Therefore, a method of using hydraulic flushing in soft sublayer to enhance the gas extraction in these particular coal seams is developed in this work. We first established a new fully coupled gas extraction model by combing gas diffusion, gas flow, and a permeability model that considers the effect of stress change and plastic failure. By adopting this model, the gas extraction enhancement mechanism and its main influence factors were studied using the numerical simulation method based on the engineering and geological background in the Yangquan No.5 coalmine. Thereafter, a hydraulic flushing equipment, which could move freely in the underground coalmine, was developed to apply the hydraulic flushing method in soft coal sublayers used in the 8402 working face. Its gas extraction effect was systematically investigated. Our simulation results match well with the field results, suggesting that our model is feasible. Meanwhile, after adopting this method, the gas extraction condition in this coalmine improves significantly. The borehole number decreases by 66.7%, while the gas extraction rate and gas extraction concentration increase by 1.33 times and 3 times, respectively. Moreover, during the coal mining process, the gas adsorption index of drilling cuttings, the quantity of drilling cuttings, and the CH4 concentration also decrease dramatically.
Towards a trusted unmanned aerial system using blockchain for the protection of critical infrastructure
Authors: Barka Ezedin , Kerrache Chaker Abdelaziz , Benkraouda Hadjer , Shuaib Khaled , Ahmad Farhan , Kurugollu Fatih
Published: July 2019

With the exponential growth in the number of vital infrastructures such as nuclear plants and transport and distribution networks, these systems have become more susceptible to coordinated cyberattacks. One of the effective approaches used to strengthen the security of these infrastructures is the use of unmanned aerial vehicles (UAVs) for surveillance and data collection. However, UAVs themselves are prone to attacks on their collected sensor data. Recently, blockchain (BC) has been proposed as a revolutionary technology that can be integrated within Internet of things (IoT) to provide a desired level of security and privacy. However, the integration of BC within IoT networks, where UAV's sensors constitute a major component, is extremely challenging. The major contribution of this study is twofold:(1) survey the security issues for UAV's collected sensor data, define the security requirements for such systems, and identify ways to address them; and (2) propose a novel BC‐based solution to ensure the security of and the trust between the UAVs and their relevant ground control stations. Our implementation results and analysis show that using UAVs as means for protecting critical infrastructure is greatly enhanced through the utilization of trusted BC‐based unmanned aerial systems.
Influence of liquid accelerant on scaling behavior of stainless steel in fire: An experimental study
Authors: Xie Dongbai , Wang Wen , Duo Shuwang
Published: July 2019

Among the commercial materials, stainless steel is widely used in our daily life and can be hardly destroyed by flame or the heat emanating from a fire. In this fundamental work, the formation and development of oxide scale on stainless steel 1Cr11Ni2W2MoV were investigated at 600°C to 800°C in the atmospheres with and without liquid accelerant. The aim of this work is to figure out the influence of accelerant on the oxidation pattern of stainless steel at high temperature that occurs in a fire. The morphology, microstructure, and the growth rate of the oxide scales were characterized by thermogravimetric analysis, visual analysis, scanning electron microscopy, energy‐dispersive spectroscopy, and X‐ray diffraction. The results revealed that the oxide scale formed on the stainless steel 1Cr11Ni2W2MoV was mostly protective in both atmospheres from 600°C to 800°C, except that breakaway oxidation occurred locally that resulted in the formation of intrusion oxide. Both increasing temperature and the presence of kerosene in combustion atmosphere increased the mass gain of stainless steel, which was mainly attributed to the occurrence of local breakaway oxidation. Consequently, the addition of accelerant just increased the formation trend of local intrusion oxide, rather than remarkably affect the scaling behavior. Therefore, careful analysis is needed to identify the presence possibility of accelerant in oxidation atmosphere according to the scaling behavior of stainless steel. Characterization of surface scale and metallurgical analysis of metallic material are expected to be supplementary technique for fire characterization in the future.
Numerical simulation of the fire behaviour of façade equipped with aluminium composite material‐based claddings—Model validation at intermediate scale
Authors: Dréan Virginie , Girardin Bertrand , Guillaume Eric , Fateh Talal
Published: July 2019

Increasing the energy performance of buildings is a crucial sustainable development objective. However, building features, products, mounting, and fixing of façade components have a large impact on fire safety. Authors in previous study performed façade fire propagation tests according to ISO13785‐1 on different combinations of ACM claddings and insulants.

In this paper, simulations are performed to reproduce three of these tests. The model is validated with the aforementioned experimental results, including details in terms of thermal conditions in the system. This allows better understanding of the fire propagation on the overall system. Additional information, such as the relative contribution of the cladding and the insulant, are investigated numerically. The fire behaviour of each component of the overall system is thus validated.

Simulations and tests performed show that the ACM cladding is the most important element driving the global fire behaviour of façade types considered. In particular, ACM‐PE–based cladding systems show large fire propagation whatever the insulant.

This series of simulations is a part of a larger study including several steps of increasing complexity. Once the model for the fire behaviour of façade system is validated at intermediate scale, larger façade systems will be investigated numerically to evaluate the influence of scaling.
Researcher engagement in policy deemed societally beneficial yet unrewarded
Authors: Singh Gerald G , Farjalla Vinicius F , Chen Bing , Pelling Andrew E , Ceyhan Elvan , Dominik Martin , Alisic Eva , Kerr Jeremy , Selin Noelle E , Bassioni Ghada , Bennett Elena , Kemp Andrew H , Chan Kai MA
Published: July 2019

Maintaining the continued flow of benefits from science, as well as societal support for science, requires sustained engagement between the research community and the general public. On the basis of data from an international survey of 1092 participants (634 established researchers and 458 students) in 55 countries and 315 research institutions, we found that institutional recognition of engagement activities is perceived to be undervalued relative to the societal benefit of those activities. Many researchers report that their institutions do not reward engagement activities despite institutions’ mission statements promoting such engagement. Furthermore, institutions that actually measure engagement activities do so only to a limited extent. Most researchers are strongly motivated to engage with the public for selfless reasons, which suggests that incentives focused on monetary benefits or career progress may not align with researchers’ values. If institutions encourage researchers’ engagement activities in a more appropriate way – by moving beyond incentives – they might better achieve their institutional missions and bolster the crucial contributions of researchers to society.
A long‐term assessment of raptor displacement at a wind farm
Authors: Dohm Regan , Jennelle Christopher S , Garvin Julie C , Drake David
Published: July 2019

Wind energy development is advancing rapidly, but the potential ramifications of this growth on wildlife, particularly birds and bats, are not fully understood. Wind energy development may affect raptor (birds of prey) populations indirectly by displacing them from their previously occupied habitat; however, there are limited empirical data demonstrating this effect. We performed long‐term raptor surveys at a wind farm previously implicated in the displacement of resident raptors and found that the duration of displacement varied among raptor species. Abundances of turkey vultures (Cathartes aura), red‐tailed hawks (Buteo jamaicensis), and accipiters (sharp‐shinned hawks [Accipiter striatus] and Cooper's hawks [Accipiter cooperii] combined) all rebounded in years 7 and 8 of wind farm operation, while the apparent displacement of northern harriers (Circus hudsonius) and American kestrels (Falco sparverius) persisted across all post‐construction monitoring periods. Our long‐term assessment indicates not only that wind farm construction and operation may displace raptors but also that these impacts can diminish over time for certain species. This finding underscores the importance of assessing potential impacts over the operational life of a given wind farm and the need for long‐term monitoring to validate predicted impacts, particularly for raptor communities.