bluuebunny/crossref_metadata_2025 huggingface dataset:
Measuring the plasma composition in tokamaks with metallic plasma-facing components
Authors: Sertoli M. , Carvalho Pedro Jorge , Giroud C. , Menmuir S. ,   JET Contributors
Published: October 2019

In present and future magnetic confined fusion devices with metallic plasma-facing components (PFCs) such as JET-ILW and ITER, the calculation of the plasma composition must account for multiple impurities of a wide range of mass and charge, resolve their poloidal asymmetries and account for different central peakings for various elements. Single measurements of radiation and effective charge are not enough to characterize this complex system and a self-consistent analysis of data from multiple diagnostics is required. This contribution describes a method to calculate the plasma composition simultaneously accounting for contributions of up to two low-Z impurities, and two mid-/high-Z impurities. The analysis stems from methodologies explained in Sertoli et al. (Rev. Sci. Instrum., vol. 89 (11), 2018, 113501), expanded to include more impurities and to coherently analyse multiple diagnostics within the same framework. The example Ne-seeded JET-ILW hybrid discharge reported here shows that Be, Ne, Ni and W are necessary to simultaneously explain the observed soft X-ray emission, the W concentration measured by passive vacuum ultra-violet spectroscopy, the line-of-sight integrated measurement of the effective charge, the observed poloidal asymmetry of the soft X-ray (SXR) emission, the Ne density measured by charge-exchange-recombination spectroscopy and the line-of-sight integrals of the total radiation as measured by bolometry. This consistent picture of the elemental composition enables the calculation of the radial profiles of the effective charge, the dilution and total radiation. For the cases analysed up to now, these are often very different from the typical assumptions presently used when modelling JET-ILW discharges. This will affect, among others, the calculation of neutron rates, current density profile and heat transport. These considerations are of course valid for all present and future magnetic-controlled fusion devices which exhibit multi-material plasma-facing components, including ITER.
Parents’ gesture adaptations to children with autism spectrum disorder
Authors: YOSHIDA Hanako , CIRINO Paul , MIRE Sarah S. , BURLING Joseph M. , LEE Sunbok
Published: October 2019

The present study focused on parents’ social cue use in relation to young children's attention. Participants were ten parent–child dyads; all children were 36 to 60 months old and were either typically developing (TD) or were diagnosed with autism spectrum disorder (ASD). Children wore a head-mounted camera that recorded the proximate child view while their parent played with them. The study compared the following between the TD and ASD groups: (a) frequency of parent's gesture use; (b) parents’ monitoring of their child's face; and (c) how children looked at parents’ gestures. Results from Bayesian estimation indicated that, compared to the TD group, parents of children with ASD produced more gestures, more closely monitored their children's faces, and provided more scaffolding for their children's visual experiences. Our findings suggest the importance of further investigating parents’ visual and gestural scaffolding as a potential developmental mechanism for children's early learning, including for children with ASD.
An investigation into maternal use of telegraphic input to children with Down syndrome
Authors: LORANG Emily , VENKER Courtney E. , STERLING Audra
Published: October 2019

Maternal input influences language development in children with Down syndrome (DS) and typical development (TD). Telegraphic input, or simplified input violating English grammatical rules, is controversial in speech–language pathology, yet no research to date has investigated whether mothers of children with DS use telegraphic input. This study investigated the quality of linguistic input to children with DS compared to age-matched children with TD, and the relationship between maternal input and child language abilities. Mothers of children with DS simplified their input in multiple ways, by using a lower lexical diversity, shorter utterances, and more telegraphic input compared to mothers of children with TD. Telegraphic input was not significantly correlated with other aspects of maternal input or child language abilities. Since children with DS demonstrate specific deficits in grammatical compared to lexical abilities, future work should investigate the long-term influence of maternal telegraphic input on language development in children with DS.
Ice Water Immersion – Practicalities for Monitoring Hyperthermic Patients in the Prehospital Context
Authors: Holbery-Morgan Lachlan , Carew James , Bourke Elyssia , Douglas Ned
Published: October 2019

Immersion of patients in a body bag filled with ice and water is recommended as prehospital management of severe hyperthermia. Experienced paramedics have raised a number of concerns about the use of this technique; particularly, whether cardiac monitoring equipment would remain functional once immersed. This test showed that monitoring equipment does remain functional and provides advice about safety considerations. The test should reassure practitioners that such an approach is feasible.
Uncovering the Mediterranean Salt Giant (MEDSALT) - Scientific Networking as Incubator of Cross-disciplinary Research in Earth Sciences
Authors: Camerlenghi Angelo , Aloisi Vanni
Published: October 2019

About 6 million years ago, the Mediterranean basin was the location of one of the most extraordinary events in the recent geological history of the Earth: the Messinian Salinity Crisis. Restriction of the seawater exchange between the Atlantic and the Mediterranean led to excess evaporation and deposition on the bottom of the deep Mediterranean basins of a 1.5 km-thick salt layer. Research on this event initiated a long-term scientific controversy. COST (European Cooperation in Science and Technology) and Marie Skłodowska-Curie European Training Networks were identified as the most appropriate tools to address and solve the controversy using a highly cross-disciplinary approach.
…And if there was also a duty to forget, how would we think about history then?
Authors: Rieff David
Published: October 2019

Is remembrance an absolute moral duty or is it better thought of in more ethically constricted pragmatic and empirical terms? This essay argues that both individuals and societies should strive for remembrance where possible, but accept that there are times and places where more forgetting is the only safe choice to make. One may hope that at some point in the future the need to remember will sweep away a prudential decision to forget, but while we are within our moral rights to hope that, in a given case, forgetting itself will outlive its usefulness, conflating our wishes with teleological certainties is an exercise in hubris, not morality. But on no account should memory be thought of as a categorical imperative.
Spitfires Sprouting in the Burmese Spring: The Real-life Quest for Historic Fantasy Aircraft in Contemporary Myanmar
Authors: Ferguson Jane M.
Published: October 2019

In 2013, a group of British aviation archaeologists began excavating in Myanmar in search of some 140 mint-condition crated Royal Air Force (RAF) Spitfire Mk XIV aircraft. According to their story, at the end of the Second World War, Allied forces in Burma were left with these unassembled aircraft. Without the funds to send them home, but unwilling to let the planes fall into enemy hands, they buried the crated planes in Mingaladon, Meiktila and Myitkyina. Like legends of pirate treasure, the story of these buried Spitfires carries with it fantastic aura and intrigue. For aviation fans, the pirate's gold is an iconic aircraft, meaningful in patriotic narratives for its role in the Battle of Britain. This paper will discuss this story as a form of military history folklore which is stoked by the orientalist perception that Burma/Myanmar's decades of military regimes and purported isolation indirectly ‘“preserved” the crated aircraft in time. As this paper will demonstrate, Burmese and others in Southeast Asia have their own legends of buried war materiel and treasure. This point, though largely lost on British aviation enthusiasts in their quest for their Spitfire ‘holy grail’, nevertheless crucially enabled their quest to manifest itself.
Evaluation of sulfonylurea chemistries for strawberry crop safety and Carolina geranium (Geranium carolinianum) efficacy
Authors: Sharpe Shaun M. , Boyd Nathan S.
Published: October 2019

POST weed control atop the bed during strawberry production is limited to hand weeding, clopyralid, and acetyl CoA carboxylase inhibitors. Identification of additional modes of action is desirable to increase available options for producers and alleviate herbicide resistance concerns. The study objective was to screen sulfonylurea herbicides for safety of strawberry coordinated with efficacy against Carolina geranium. Herbicide treatments included metsulfuron-methyl, flazasulfuron, foramsulfuron, thifensulfuron-methyl, trifloxysulfuron-sodium, and rimsulfuron. Strawberry plants were heavily damaged by all herbicides apart from foramsulfuron. Although the strawberry plant was dramatically affected by the evaluated herbicides, demonstrating strong epinasty, there were no differences in resultant biomass at 31 d after treatment (DAT) compared to controls. Carolina geranium was severely injured by metsulfuron-methyl, flazasulfuron, and thifensulfuron-methyl, and moderately injured by foramsulfuron. There were consistent reductions in biomass by 31 DAT by metsulfuron-methyl and flazasulfuron. Overall, metsulfuron-methyl and flazasulfuron are suitable candidates for Carolina geranium control in row-middles. Foramsulfuron is a suitable candidate for additional field-based screening for utility in POST use in strawberry production atop the bed. Consideration toward doses, surfactants, timings, and cultivar tolerance may be necessary to minimize injury as observed in the greenhouse (15% to 20%).
Pädagogische Fachkräfte als Sprachvorbild in der Kindertagesstätte
Authors: Löffler Cordula , Heil Julian
Published: October 2019

Zusammenfassung. Beim Thema Sprachförderung wurde der Frage, inwieweit pädagogische Fachkräfte die Rolle eines Sprachvorbildes wahrnehmen und welche Bedeutung der Qualität ihres Inputs zukommt, vor allem auf lautlicher und grammatischer Ebene, bislang wenig Aufmerksamkeit geschenkt. Im vorliegenden Beitrag wird anhand einer neu entwickelten Schätzskala zum sprachlichen Input und zweier Fallbeispiele aufgezeigt, welche Kriterien zur Beurteilung des Sprachvorbildes angelegt werden können und welche Relevanz sprachliche Richtigkeit in der Sprachförderung hat.
Correction to: Physical activity intensity, bout-duration, and cardiometabolic risk markers in children and adolescents
Authors:   On behalf of the International Children’s Accelerometry Database (ICAD) Collaborators, Tarp Jakob , Child Abbey , White Tom , Westgate Kate , Bugge Anna , Grøntved Anders , Wedderkopp Niels , Andersen Lars B. , Cardon Greet , Davey Rachel , Janz Kathleen F. , Kriemler Susi , Northstone Kate , Page Angie S. , Puder Jardena J. , Reilly John J. , Sardinha Luis B. , van Sluijs Esther M. F. , Ekelund Ulf , Wijndaele Katrien , Brage Søren
Published: October 2019

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Correction: Impact of energy turnover on the regulation of glucose homeostasis in healthy subjects
Authors: Büsing Franziska , Hägele Franziska Anna , Nas Alessa , Hasler Mario , Müller Manfred James , Bosy-Westphal Anja
Published: October 2019

Since publication of this article the authors noted that the legend for Table 1 was incomplete, as the subtitle was missing. The complete table should appear as given below. This has been corrected in both the PDF and HTML versions of the Article.
A drug library screen identifies Carbenoxolone as novel FOXO inhibitor that overcomes FOXO3-mediated chemoprotection in high-stage neuroblastoma
Authors: Salcher Stefan , Spoden Gilles , Hagenbuchner Judith , Führer Sebastian , Kaserer Teresa , Tollinger Martin , Huber-Cantonati Petra , Gruber Thomas , Schuster Daniela , Gust Ronald , Zwierzina Heinz , Müller Thomas , Kiechl-Kohlendorfer Ursula , Ausserlechner Michael J. , Obexer Petra
Published: October 2019

The transcription factor FOXO3 has been associated in different tumor entities with hallmarks of cancer, including metastasis, tumor angiogenesis, maintenance of tumor-initiating stem cells, and drug resistance. In neuroblastoma (NB), we recently demonstrated that nuclear FOXO3 promotes tumor angiogenesis in vivo and chemoresistance in vitro. Hence, inhibiting the transcriptional activity of FOXO3 is a promising therapeutic strategy. However, as no FOXO3 inhibitor is clinically available to date, we used a medium-throughput fluorescence polarization assay (FPA) screening in a drug-repositioning approach to identify compounds that bind to the FOXO3-DNA-binding-domain (DBD). Carbenoxolone (CBX), a glycyrrhetinic acid derivative, was identified as a potential FOXO3-inhibitory compound that binds to the FOXO3-DBD with a binding affinity of 19 µM. Specific interaction of CBX with the FOXO3-DBD was validated by fluorescence-based electrophoretic mobility shift assay (FAM-EMSA). CBX inhibits the transcriptional activity of FOXO3 target genes, as determined by chromatin immunoprecipitation (ChIP), DEPP-, and BIM promoter reporter assays, and real-time RT-PCR analyses. In high-stage NB cells with functional TP53, FOXO3 triggers the expression of SESN3, which increases chemoprotection and cell survival. Importantly, FOXO3 inhibition by CBX treatment at pharmacologically relevant concentrations efficiently repressed FOXO3-mediated SESN3 expression and clonogenic survival and sensitized high-stage NB cells to chemotherapy in a 2D and 3D culture model. Thus, CBX might be a promising novel candidate for the treatment of therapy-resistant high-stage NB and other “FOXO-resistant” cancers.
All-cause and cause-specific mortality following non-traumatic spinal cord injury: evidence from a population-based cohort study in Switzerland
Authors:   for the SwiSCI study group and the Swiss National Cohort, Buzzell A. , Chamberlain J. D. , Eriks-Hoogland I. , Hug K. , Jordan X. , Schubert M. , Zwahlen M. , Brinkhof M. W. G.
Published: October 2019

Study design

Observational cohort study.

Objective

To benchmark all-cause and cause-specific mortality following NTSCI to the general population (GP).

Setting

Specialized rehabilitation centers in Switzerland.

Methods

Longitudinal data from the Swiss Spinal Cord Injury (SwiSCI) Medical Record study were probabilistically linked with cause of death (CoD) information from the Swiss National Cohort. Standardized mortality ratios (SMRs) were estimated for all-cause and cause-specific mortality. Competing risk frameworks were used to estimate the probability of death due to specific CoD.

Results

One thousand five hundred and one individuals were admitted for first rehabilitation with NTSCI between 1990–2011; CoD information was available for 454 individuals of the 525 individuals that died. Overall, the mortality rate for persons with NTSCI was 1.6 times greater than that of the GP. Deaths due to cardiovascular disease (39.8%), neoplasms (22%), and infection (9.9%) were most often reported. Individuals with an SCI due to a vascular etiology indicated the greatest burden of mortality from infection compared with the GP (SMR 5.4; 95% CI, 3.1 to 9.2).

Conclusions

Cause-specific SMRs varied according to etiology. This supports the need for targeted clinical care and follow-up. Cardiovascular disease, neoplasms, and infection, emerged as main causes of death following NTSCI and should thus be targets for future research and differential clinical management approaches.
Correction: Oxidation of KCNB1 potassium channels triggers apoptotic integrin signaling in the brain
Authors: Yu Wei , Gowda Manasa , Sharad Yashsavi , Singh Surindo A. , Sesti Federico
Published: October 2019

Since the publication of this article the authors have noted that there were two typos that could have caused confusion to the readers:

1) References to “integrin alpha chain V” should have been “integrin alpha 5”. These appear in the Abstract and the first paragraph of the Results section.

2) In the Results section under the header “Integrins activate Fyn tyrosine kinases” and the legend of Figure 6a, “tyr530” should be replaced with “tyr416”.

3) In the the legend of Figure 6b, "pSrc" with should be replaced with "pFyn".
Genomic and phenotypic analyses of six offspring of a genome-edited hornless bull
Authors: Young Amy E. , Mansour Tamer A. , McNabb Bret R. , Owen Joseph R. , Trott Josephine F. , Brown C. Titus , Van Eenennaam Alison L.
Published: October 2019

Genome editing followed by reproductive cloning was previously used to produce two hornless dairy bulls. We crossed one genome-edited dairy bull, homozygous for the dominant PC Celtic POLLED allele, with horned cows (pp) and obtained six heterozygous (PCp) polled calves. The calves had no horns and were otherwise healthy and phenotypically unremarkable. We conducted whole-genome sequencing of all animals using an Illumina HiSeq4000 to achieve ~20× coverage. Bioinformatics analyses revealed the bull was a compound heterozygote, carrying one naturally occurring PC Celtic POLLED allele and an allele containing an additional introgression of the homology-directed repair donor plasmid along with the PC Celtic allele. These alleles segregated in the offspring of this bull, and inheritance of either allele produced polled calves. No other unintended genomic alterations were observed. These data can be used to inform conversations in the scientific community, with regulatory authorities and with the public around ‘intentional genomic alterations’ and future regulatory actions regarding genome-edited animals.
Quantitative 3D measurements of tibial plateau fractures
Authors: Assink N. , Kraeima J. , Slump C. H. , ten Duis K. , de Vries J. P. P. M. , Meesters A. M. L. , van Ooijen P. , Witjes M. J. H. , IJpma F. F. A.
Published: October 2019

Fracture gap and step-off measurements on 2DCT-slices probably underestimate the complex multi-directional features of tibial plateau fractures. Our aim was to develop a quantitative 3D-CT (Q3DCT) fracture analysis of these injuries. CT-based 3D models were created for 10 patients with a tibial plateau fracture. Several 3D measures (gap area, articular surface involvement, 3D displacement) were developed and tested. Gaps and step-offs were measured in 2D and 3D. All measurements were repeated by six observers and the reproducibility was determined by intra-class correlation coefficients. Q3DCT measurements demonstrated a median gap of 5.3 mm, step-off of 5.2 mm, gap area of 235 mm2, articular surface involvement of 33% and 3D displacement of 6.1 mm. The inter-rater reliability was higher in the Q3DCT than in the 2DCT measurements for both the gap (0.96 vs. 0.81) and step-off (0.63 vs. 0.32). Q3DCT measurements showed excellent reliability (ICC of 0.94 for gap area, 1 for articular surface involvement and 0.99 for 3D displacement). Q3DCT fracture analysis of tibial plateau fractures is feasible and shows excellent reliability. 3D measurements could be used together with the current classification systems to quantify the true extent of these complex multi-directional fractures in a standardized way.
A comparison of coastal habitat restoration projects in China and the United States
Authors: Li Shanze , Xie Tian , Pennings Steven C. , Wang Yuchun , Craft Christopher , Hu Mingming
Published: October 2019

We compared coastal restoration projects in a developing country, China, and a developed country, the United States of America, both of which are facing loss and degradation of coastal habitats at similar latitudes, for the period of 1992–2014. To document the scale of coastal habitat restoration projects in the two countries, we identified 914 coastal restoration projects with an accumulated area of 300,521 acres in China, with most of our information coming from scientific papers, and 1,620 coastal restoration projects with an accumulated area of 243,064 acres in the USA, with most of our information coming from public databases. In both countries, about half the projects were in wetland habitats, but China had a greater proportion of projects in submerged habitats (43% versus 28% in the USA) and the USA a greater proportion in coastal upland habitats (21% versus 9% in China). The number of new projects steadily increased over time in China, but dropped after 2006 in the USA, although the total cost of new projects continued to increase. The number of projects in China and the total cost of projects in the USA were correlated with national GDP. Restoration projects in China used fewer techniques, had fewer partners, and took longer to complete than projects in the USA. Information about projects was incomplete, especially in China, and both countries could do more to make information publically available. We know more about project construction than project outcomes, and it is unclear whether projects are achieving their goals or whether the techniques used are optimal.
Assessment of Spatial Agglomeration of Agricultural Drought Disaster in China from 1978 to 2016
Authors: Wang Qian , Liu Yang-yang , Zhang Yan-zhen , Tong Lin-jing , Li Xiaoyu , Li Jian-long , Sun Zhengguo
Published: October 2019

Drought disaster space agglomeration assessment is one of the important components of meteorological disaster prevention and mitigation. Agriculture affected by drought disaster is not only a serious threat to world food security, but also an obstacle to sustainable development. Additionally, China is an important agricultural import and export country in the world. Therefore, we used the global Moran’s I and the local indicators of spatial autocorrelation (LISA) to reveal the spatial agglomeration of agricultural drought disaster in China from1978 to 2016, respectively. The results showed that China’s agricultural drought disaster presents local spatial autocorrelation of geographical agglomeration at national level during the study period. The spatial agglomeration regions of China’s agricultural drought disaster were in Inner Mongolia, Jilin province, Heilongjiang province, Liaoning province, Shanxi province, Hebei province, Shandong province, Shaanxi province and Henan province, indicating that agricultural drought disaster mainly distributed in North and Northwest China, especially occurred in the Yellow River Basin and its north areas. We also found that the overall movement direction of agricultural drought disaster agglomeration regions was northwest, and the maximum moving distance was 722.16 km. Our results might provide insight in early warning and prevention for drought disaster.
Publisher Correction: Signal transmission through elements of the cytoskeleton form an optimized information network in eukaryotic cells
Authors: Frieden B. R. , Gatenby R. A.
Published: October 2019

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Unraveling the role of peroxisome proliferator-activated receptor-β/δ (PPARβ/δ) expression in colon carcinogenesis
Authors: Peters Jeffrey M. , Walter Vonn , Patterson Andrew D. , Gonzalez Frank J.
Published: October 2019

The peroxisome proliferator-activated-β/δ (PPARβ/δ) was identified in 1994, but not until 1999 was PPARβ/δ suggested to be involved in carcinogenesis. Initially, it was hypothesized that expression of PPARβ/δ was increased during colon cancer progression, which led to increased transcription of yet-to-be confirmed target genes that promote cell proliferation and tumorigenesis. It was also hypothesized at this time that lipid-metabolizing enzymes generated lipid metabolites that served as ligands for PPARβ/δ. These hypothetical mechanisms were attractive because they potentially explained how non-steroidal anti-inflammatory drugs inhibited tumorigenesis by potentially limiting the concentration of endogenous PPARβ/δ ligands that could activate this receptor that was increased in cancer cells. However, during the last 20 years, considerable research was undertaken describing expression of PPARβ/δ in normal and cancer cells that has led to a significant impact on the mechanisms by which PPARβ/δ functions in carcinogenesis. Whereas results from earlier studies led to much uncertainty about the role of PPARβ/δ in cancer, more recent analyses of large databases have revealed a more consistent understanding. The focus of this review is on the fundamental level of PPARβ/δ expression in normal tissues and cancerous tissue as described by studies during the past two decades and what has been delineated during this timeframe about how PPARβ/δ expression influences carcinogenesis, with an emphasis on colon cancer.
Simultaneous determination of polybrominated diphenyl ethers, polycyclic aromatic hydrocarbons and their hydroxylated metabolites in human hair: a potential methodology to distinguish external from internal exposure
Authors: Lin Meiqing , Tang Jian , Ma Shengtao , Yu Yingxin , Li Guiying , Mai Bixian , Fan Ruifang , An Taicheng
Published: October 2019

A novel method is developed to simultaneously analyse multiple chemicals in human hair and to distinguish the internal from external exposure.
Screening of DNA G-quadruplex stabilizing ligands by nano differential scanning fluorimetry
Authors: Pagano Bruno , Iaccarino Nunzia , Di Porzio Anna , Randazzo Antonio , Amato Jussara
Published: October 2019

A proof of principle study on the use of nanoDSF as a screening tool for G-quadruplex targeting compounds.
Rapid detection of synthetic cannabinoids in herbal highs using surface-enhanced Raman scattering produced by gold nanoparticle co-aggregation in a wet system
Authors: Segawa Hiroki , Fukuoka Takao , Itoh Tamitake , Imai Yuichi , Iwata Yuko T. , Yamamuro Tadashi , Kuwayama Kenji , Tsujikawa Kenji , Kanamori Tatsuyuki , Inoue Hiroyuki
Published: October 2019

SERS with gold nanoparticle aggregates detects synthetic drugs of abuse contained in herbal highs.
Exonuclease III-assisted signal amplification strategy for sensitive fluorescence detection of polynucleotide kinase based on poly(thymine)-templated copper nanoparticles
Authors: Zhao Han , Yan Ying , Chen Mingjian , Hu Tingting , Wu Kefeng , Liu Haisheng , Ma Changbei
Published: October 2019

A facile fluorescent method has been developed for polynucleotide kinase detection based on copper nanoparticles and exonuclease III-assisted signal amplification.
Developing infrared spectroscopic detection for stratifying brain tumour patients: glioblastoma multiforme vs. lymphoma
Authors: Cameron James M. , Butler Holly J. , Smith Benjamin R. , Hegarty Mark G. , Jenkinson Michael D. , Syed Khaja , Brennan Paul M. , Ashton Katherine , Dawson Timothy , Palmer David S. , Baker Matthew J.
Published: October 2019

There are currently no methods in place for the early detection of brain cancer. A reliable serum triage test could avoid the need for surgery, and speed up time to definitive treatment. Could high-throughput infrared spectroscopy fill the void?
Electrochemical sensors for rapid diagnosis of pathogens in real time
Authors: Simoska Olja , Stevenson Keith J.
Published: October 2019

Electrochemical sensors designed for rapid diagnosis, detection and real-time monitoring of bacterial pathogens in hospital settings.
[Au7Ag9(dppf)3(CF3CO2)7BF4]n: a linear nanocluster polymer from molecular Au7Ag8 clusters covalently linked by silver atoms
Authors: Wen Zhao-Rui , Guan Zong-Jie , Zhang Ying , Lin Yu-Mei , Wang Quan-Ming
Published: October 2019

A unique nanocluster polymer consists of the building block of Au7Ag8 clusters joined together to form a one-dimensional linear chain.
Recent advances in the development of rotaxanes and pseudorotaxanes based on pillar[n]arenes: from construction to application
Authors: Yang Kui , Chao Shuang , Zhang Feiyu , Pei Yuxin , Pei Zhichao
Published: October 2019

This article summarizes recent advances in the development of rotaxanes and pseudorotaxanes based on pillar[n]arenes: from construction to application.
Structural evolution induced by Au atom diffusion in Ag2S
Authors: Jin Benjin , Zhang Fu , Wu Geng , Yuan Tongwei , Wang Qian , Zhou Huang , Zhao Yafei , Zhang Genqiang , Hong Xun
Published: October 2019

The transition from amorphous Ag2S to crystalline AuAgS or Ag3AuS2 was discovered through Au single-atom diffusion.
Hierarchical spheres of Mg–Al LDH for the removal of phosphate ions: effect of alumina polymorph as precursor
Authors: Sudare Tomohito , Zenzai Atsushi , Tamura Shuhei , Kiyama Masahiro , Hayashi Fumitaka , Teshima Katsuya
Published: October 2019

In order to tailor the morphology of the layered double hydroxide (LDHs) particles, we focused on a synthesis method involving the use of Al2O3 as a precursor, employing Al2O3 with different crystal structures (e.g., α-Al2O3, θ-Al2O3, and γ-Al2O3) as well as amorphous Al2O3.
Using polymorphism to master the spin crossover mechanism in [Fe(PM-PeA)2(NCSe)2]
Authors: Tailleur Elodie , Marchivie Mathieu , Negrier Philippe , Denux Dominique , Massip Stéphane , Mondieig Denise , Chastanet Guillaume , Guionneau Philippe
Published: October 2019

Polymorphism drives the mechanism of the spin-crossover in [Fe(PM-PeA)2(NCSe)2] single-crystals.
Neat ionic liquids versus ionic liquid mixtures: a combination of experimental data and molecular simulation
Authors: Gouveia Andreia S. L. , Bernardes Carlos E. S. , Lozinskaya Elena I. , Shaplov Alexander S. , Canongia Lopes José N. , Marrucho Isabel M.
Published: October 2019

Simple mixtures of ionic liquids (IL–IL mixtures) can become a promising approach for the substitution of task-specific ILs.
Theoretical investigations of a platinum–water interface using quantum-mechanics-molecular-mechanics based molecular dynamics simulations
Authors: Hardikar R. P. , Mondal Unmesh , Thakkar Foram M. , Roy Sudip , Ghosh Prasenjit
Published: October 2019

Formation of high density liquid in the water layer at the Pt–water interface. Significantly large single H-bond donors at the interface region.
How carotenoid distortions may determine optical properties: lessons from the Orange Carotenoid Protein
Authors: Wei Tiejun , Balevičius Vytautas , Polívka Tomás , Ruban Alexander V. , Duffy Christopher D. P.
Published: October 2019

Carotenoid optical properties are often explained in terms of molecular symmetry. We find that the two are unrelated and certain key optical properties are robust despite severe distortions due to interactions with proteins.
Comment on “Atmospheric chemistry of iodine anions: elementary reactions of I−, IO− and IO2− with ozone studied in the gas-phase at 300 K using an ion trap” Teiwes et al., Phys. Chem. Chem. Phys., 2018, 20, 20608
Authors: Britz Dieter
Published: October 2019

Analytical solution for the set of differential equations solved numerically in the original article
Molecular packing in two bicontinuousIa3̄dgyroid phases of calamitic cubic mesogens BABH(n): roles in structural stability and reentrant behavior
Authors: Yamamura Yasuhisa , Nakazawa Yuri , Kutsumizu Shoichi , Saito Kazuya
Published: October 2019

BABH(n)s exhibit two differentIa3̄dcubic phases depending on the chain length. We revealed the difference in molecular packing in the twoIa3̄dphases. Based on the difference, the reentrant behavior between the twoIa3̄dphases was clarified.
Low energy optical excitations as an indicator of structural changes initiated at the termini of amyloid proteins
Authors: Jong Kwang Hyok , Azar Yavar T. , Grisanti Luca , Stephens Amberley D. , Jones Saul T. E. , Credgington Dan , Kaminski Schierle Gabriele S. , Hassanali Ali
Published: October 2019

We study the optical properties of amyloid aggregates relevant for neurodegenerative disease using experiments and computation. The low energy optical absorption in the near-UV range depends on conformations and involves charge-transfer excitations.
Tunable Schottky and Ohmic contacts in graphene and tellurene van der Waals heterostructures
Authors: Qin Xinming , Hu Wei , Yang Jinlong
Published: October 2019

Electric field and interlayer coupling tunable Schottky and Ohmic contacts in graphene and tellurene van der Waals heterostructures have been predicted theoretically to expect potential applications in graphene-based field-effect transistors.
A cross-interface model for thermal transport across the interface between overlapped nanoribbons
Authors: Feng Wentao , Yu Xiaoxiang , Wang Yue , Ma Dengke , Sun Zhijia , Deng Chengcheng , Yang Nuo
Published: October 2019

The application of low-dimensional materials for heat dissipation requires a comprehensive understanding of thermal transport at the cross-interface, which widely exists in various composite materials and electronic devices.
2′-Deoxy-2′-fluoro-arabinonucleic acid: a valid alternative to DNA for biotechnological applications using charge transport
Authors: Teo Ruijie D. , Smithwick Elizabeth R. , Migliore Agostino
Published: October 2019

The 2′-deoxy-2′-fluoro-arabinonucleic acid (2′F-ANA) can be used as a valid alternative to DNA in bioelectronic applications by reason of its similar charge conductivity combined with greater resistance to hydrolysis and nuclease degradation.
Atomically dispersed platinum on low index and stepped ceria surfaces: phase diagrams and stability analysis
Authors: Wang Xing , van Bokhoven Jeroen A. , Palagin Dennis
Published: October 2019

Ab initio atomistic thermodynamics modeling demonstrated that atomically dispersed platinum species on ceria adopt a range of local coordination configurations and oxidation states that depend on the surface structure and environmental conditions.
Reply to the ‘Comment on “Atmospheric chemistry of iodine anions: elementary reactions of I−, IO−, and IO−2 with ozone studied in the gas-phase at 300 K using an ion trap”’ by D. Britz, Phys. Chem. Chem. Phys., 2019, 21, C9CP03851E
Authors: Teiwes Ricky , Elm Jonas , Bilde Merete , Pedersen Henrik B.
Published: October 2019

Flexible model fitting using numerical integration.
Aqueous synthesis of Mn-doped CuInSe2 quantum dots to enhance the performance of quantum dot sensitized solar cells
Authors: Abate Mulu Alemayehu , Dehvari Khalilalrahman , Chang Jia-Yaw , Waki Keiko
Published: October 2019

Mn-Doped QDs extended light absorption by altering the bandgap and facilitated rapid electron injection and charge separation, which together result in enhanced overall power conversion efficiency (PCE).
A supramolecular chain of dimeric Dy single molecule magnets decorated with azobenzene ligands
Authors: Huang Gang , Yi Xiaohui , Gendron Frederic , Le Guennic Boris , Guizouarn Thierry , Daiguebonne Carole , Calvez Guillaume , Suffren Yan , Guillou Olivier , Bernot Kevin
Published: October 2019

DyIIIdimers decorated with photo-isomerizable azobenzene ligands behave as single-molecule magnets and self-organize into a supramolecular chain.Ab initiocalculations, magnetic and optical properties are reported.
Four new dual-functional electro-catalysts formed from small molybdenum clusters and Cu-pyridyl complexes
Authors: Zhou Wanli , Liu Ping , Zheng Yanping , Liu Xuekun , Zhang Yong , Yuan Gang , Peng Jun
Published: October 2019

Four new isopolymolybdates-based organic–inorganic hybrids decorated with Cu-pyridyl complexes were prepared by using one-pot methods. Compounds 1–4 display discrepant dual-functional electro-catalytic activities toward reduction of nitrite and oxidation of ascorbic acid.
A g-C3N4-based heterogeneous photocatalyst for visible light mediated aerobic benzylic C–H oxygenations
Authors: Geng Pengxin , Tang Yurong , Pan Guanglong , Wang Wentao , Hu Jinchuan , Cai Yunfei
Published: October 2019

A visible light mediated metal-free heterogeneous photocatalytic system has been developed for highly efficient benzylic C–H oxygenations utilizing graphitic carbon nitride (g-C3N4) as a recyclable, nontoxic and low cost photocatalyst.
Selective electrochemical CO2 conversion to multicarbon alcohols on highly efficient N-doped porous carbon-supported Cu catalysts
Authors: Han Hyunsu , Noh Yuseong , Kim Yoongon , Park Seongmin , Yoon Wongeun , Jang Daehee , Choi Sung Mook , Kim Won Bae
Published: October 2019

A schematic of selective electrochemical CO2 conversion to multicarbon alcohols on N-doped porous carbon-supported Cu catalysts via a two-site mechanism is shown.
Therapeutic peptide delivery via aptamer-displaying, disulfide-linked peptide amphiphile micelles
Authors: Smith Josiah D. , Cardwell Leah N. , Porciani David , Nolla Andrea , Cornelison Brenna T. , Schulte Megan C. , Gallazzi Fabio , Burke Donald H. , Daniels Mark A. , Ulery Bret D.
Published: October 2019

Peptide amphiphile micelles (PAMs) are a powerful platform technology for improving the delivery of therapeutic and prophylactic peptides.
Optical properties of plasmonic nanopore arrays prepared by electron beam and colloidal lithography
Authors: Malekian Bita , Xiong Kunli , Kang Evan S. H. , Andersson John , Emilsson Gustav , Rommel Marcus , Sannomiya Takumi , Jonsson Magnus P. , Dahlin Andreas
Published: October 2019

We present new plasmonic nanopore arrays and their optical properties, in particular the influence from short-range vs. long-range ordering.
Metabolic effects of VO(dmpp)2 – an ex vivo1H-HRMAS NMR study to unveil its pharmacological properties
Authors: Metelo Ana M. , Arias-Ramos Nuria , Lopez-Larrubia Pilar , Castro M. Margarida C. A.
Published: October 2019

VO(dmpp)2 ameliorates liver metabolic profile of obese pre-diabetic Zucker rats after 4 weeks of treatment, as demonstrated by ex vivo1H-HRMAS NMR study.
Transition-metal-free catalyzed [3+2] cycloadditions/oxidative aromatization reactions for the synthesis of annulated indolizines
Authors: Zhang Qianwei , Wang Bin , Ma Huifang , Ablajan Keyume
Published: October 2019

A transition-metal-free catalyzed [3+2] cycloadditions/oxidative aromatization three-component reactions for direct construction of annulated indolizines was reported.
In silico study of 3-hydroxypyrimidine-2,4-diones as inhibitors of HIV RT-associated RNase H using molecular docking, molecular dynamics, 3D-QSAR, and pharmacophore models
Authors: Gao Ya , Chen Yanming , Tian Yafeng , Zhao Yilan , Wu Fengshou , Luo Xiaogang , Ju Xiulian , Liu Genyan
Published: October 2019

Rational design and virtual screening of novel inhibitors of HIV reverse transcriptase associated ribonuclease H based on a combined molecular modeling study.
An imidazolin-2-iminato ligand organozinc complex as a catalyst for hydroboration of organic nitriles
Authors: Das Suman , Bhattacharjee Jayeeta , Panda Tarun K.
Published: October 2019

Catalytic hydroboration of nitriles with pinacolborane (HBpin) using the imidazolin-2-iminato zinc alkyl complex [{(ImtBuN)Zn(CH2CH3)}2] (1c) under mild and solvent-free conditions to afford corresponding diboronate esters in high yield is reported.
Hydroformylation of unsaturated esters and 2,3-dihydrofuran under solventless conditions at room temperature catalysed by rhodium N-pyrrolyl phosphine catalysts
Authors: Alsalahi W. , Trzeciak A. M.
Published: October 2019

Complexes of the type HRh(CO)L3 (where L is an N-pyrrolyl phosphine, e.g. P(NC4H4)3, Ph(NC4H4)2, or PPh2(NC4H4)) were applied in the hydroformylation of less reactive unsaturated substrates (allyl acetate, butyl acrylate, methyl acrylate, 2,3-dihydrofuran, vinyl acetate).
Effect of capping methods on the morphology of silver nanoparticles: study on the media-induced release of silver from the nanocomposite β-cyclodextrin/alginate
Authors: Nguyen Thanh-Danh , Vo Thanh-Truc , Huynh T. Thanh-Tam , Nguyen Cao-Hien , Doan Van-Dat , Nguyen Dinh-Truong , Nguyen Trinh-Duy , Dang Chi-Hien
Published: October 2019

Novel multi-functional nanocomposites were fabricated from polysaccharides, alginate (Alg) and β-cyclodextrin (β-CD)viathe ionotropic gelation mechanism.
Correlating ionic liquid solvent effects with solvent parameters for a reaction that proceeds through a xanthylium intermediate
Authors: Gilbert Alyssa , Bucher Götz , Haines Ronald S. , Harper Jason B.
Published: October 2019

The effects of ionic liquids on the rate constant of an SN1 process with a xanthylium intermediate differ from those observed for other SN1 reactions. These effects can be correlated to solvent parameters of the ionic liquids allowing predictability.
Cosmic shear covariance matrix in wCDM: Cosmology matters
Authors: Harnois-Déraps J. , Giblin B. , Joachimi B.
Published: October 2019

We present here the cosmo-SLICS, a new suite of simulations specially designed for the analysis of current and upcoming weak lensing data beyond the standard two-point cosmic shear. We sampled the [Ωm, σ8, h, w0] parameter space at 25 points organised in a Latin hyper-cube, spanning a range that contains most of the 2σ posterior distribution from ongoing lensing surveys. At each of these nodes we evolved a pair of N-body simulations in which the sampling variance is highly suppressed, and ray-traced the volumes 800 times to further increase the effective sky coverage. We extracted a lensing covariance matrix from these pseudo-independent light-cones and show that it closely matches a brute-force construction based on an ensemble of 800 truly independent N-body runs. More precisely, a Fisher analysis reveals that both methods yield marginalized two-dimensional constraints that vary by less than 6% in area, a result that holds under different survey specifications and that matches to within 15% the area obtained from an analytical covariance calculation. Extending this comparison with our 25 wCDM models, we probed the cosmology dependence of the lensing covariance directly from numerical simulations, reproducing remarkably well the Fisher results from the analytical models at most cosmologies. We demonstrate that varying the cosmology at which the covariance matrix is evaluated in the first place might have an order of magnitude greater impact on the parameter constraints than varying the choice of covariance estimation technique. We present a test case in which we generate fast predictions for both the lensing signal and its associated variance with a flexible Gaussian process regression emulator, achieving an accuracy of a few percent on the former and 10% on the latter.
Prädiktion des Return to Work nach Polytrauma bei Patienten
mit einem ISS von 25 und höher
Authors: Simmel Stefan , Wurm Simone , Drisch Sabine , Woltmann Alexander , Coenen Michaela
Published: October 2019

Ziel der Studie Die Überlebenschancen von Patienten auch mit
schweren Polytraumata haben sich in den letzten Jahrzehnten kontinuierlich
verbessert. Mitentscheidend für die Lebensqualität und Teilhabe
dieser Patienten ist eine Rückkehr in das Erwerbsleben (Return-to-work
(RTW)). Die Kenntnis, welche Faktoren RTW beeinflussen, ist relevant für
die medizinische und berufliche Rehabilitation nach schweren Verletzungen. Ziel
der Studie ist es zu analysieren, wie der RTW polytraumatisierter Patienten ins
Erwerbsleben gelingt und welche Faktoren als Prädiktoren einen Einfluss
auf RTW haben.

Methodik Zur Bestimmung von Faktoren, die RTW vorhersagen, wurden in
einer monozentrischen Studie von 84 Patienten im arbeitsfähigen Alter
mit einem ISS von 25 oder höher Routinedaten aus dem Traumaregister der
Klinik und im Follow-up Daten mittels des standardisierten Fragebogens
POLO-Chart erfasst. Es wurden bivariate Analysen (Chi-Quadrat-Test, Wilcoxon
Mann-Whitney-Test, t-Test) zum Zusammenhang mit RTW durchgeführt.
Ausgewählte Variablen wurden in einem logistischen Regressionsmodell zur
Prädiktion des RTW überprüft.

Ergebnisse Insgesamt 58% der Patienten konnten in das
Erwerbsleben zurückkehren. Das Alter, die Verweildauer auf der
Intensivstation und der Zeitraum zwischen Entlassung aus der Klinik und der
Befragung sind Prädiktoren für das RTW. Auch die
Selbsteinschätzung des allgemeinen Gesundheitszustandes ist von
entscheidender Bedeutung für die Rückkehr zur Arbeit, wohingegen
in diesem Patientengut kein signifikanter Zusammenhang mit Vorerkrankungen oder
als belastend erlebten Ereignissen bestand.

Schlussfolgerung Das RTW von Patienten nach schwerem Polytrauma ist von
verschiedenen Faktoren abhängig. Besonders ältere Patienten, die
ihren allgemeinen Gesundheitszustand als schlecht einschätzen, haben
Probleme in das Erwerbsleben zurückzukehren.
Interprofessionell abgestimmte Kommunikation in der
Pädiatrie
Authors: Weigl Tobias
Published: October 2019

Für die Eltern eines erkrankten Kindes sind Ärzte und Pflegende gleichermaßen
Ansprechpartner. Damit es dabei nicht zu Missverständnissen kommt, sollten sich
die Professionen untereinander gut abstimmen.
Bedürfnisse von Kinderkrankenpflegenden in der Interaktion
mit den Eltern
Authors: Rohde Katrin S.
Published: October 2019

Um einen praxisorientierten Blick in das Erleben der Pflegenden zu erlangen, hat
die Autorin Kinderkrankenpflegende zu ihren Erfahrungen im Umgang mit Eltern und
Familien, zu ihren Bedürfnissen und Sichtweisen befragt: Was fördert aus ihrer
Sicht eine gute Zusammenarbeit? Aus den Aussagen der Pflegenden hat sie mögliche
Konsequenzen für die Interaktion abgeleitet und diese durch Praxisbeispiele
ergänzt.
Psychologische Kennwerte und BMI-SDS bei Jugendlichen mit Adipositas
und unterschiedlichen Motivationsstadien in der stationären
Rehabilitation
Authors: Hampel Petra , Stachow Rainer , Wienert Julian
Published: October 2019

Ziel Adipositas ist im Jugendalter besonders häufig und zeigt
eine erhöhte Persistenz bis ins Erwachsenenalter auf. Bisherige Studien
konnten zwar kurzfristige Rehabilitationserfolge nachweisen, jedoch keine
ausreichende Nachhaltigkeit belegen. Langfristige Effekte lassen sich durch die
Berücksichtigung der Motivationslage erwarten. Allerdings liegen noch
keine Befunde zur Motivationslage von Jugendlichen mit Adipositas vor. Diese
Studie untersuchte psychologische Kennwerte und den Body-Mass-Index-standard
deviation score (BMI-SDS) von Jugendlichen mit Adipositas in
Abhängigkeit des Motivationsstadiums und Alters.

Methode In die Querschnittstudie konnten N=127 Jugendliche mit
Adipositas eingeschlossen werden, die zu einer stationären,
rehabilitativen Behandlung aufgenommen wurden. Unterschiede im BMI-SDS und in
der selbst-berichteten psychischen Gesundheit wurden in 2-faktoriellen
Kovarianzanalysen mit dem Faktor „Motivationsstadium“ (Intender
vs. Actor), dem Faktor „Altersgruppe“ (12–14 vs.
15–17 Jahre) und der Kovariate „Geschlecht“ bestimmt.
Hierbei wurde das Motivationsstadium durch den neu entwickelten Fragebogen zur
Einteilung in Motivationsstadien (MoS) ermittelt.

Ergebnisse Intender zeigten ungünstigere Ausprägungen im
Krankheitsmanagement und in volitionalen Kennwerten. Bei Jüngeren war
der BMI-SDS niedriger sowie motivationale und volitionale Kennwerte geringer
ausgeprägt. Schließlich waren junge Intender durch ein
Risikoprofil in psychischen Auffälligkeiten gekennzeichnet.

Schlussfolgerung Die Befunde liefern wichtige Hinweise für die
Konzeption motivationsstadienspezifischer Schulungsprogramme und untermauern
erneut die Notwendigkeit altersgerechter Maßnahmen im Jugendalter.
[2+2] Photocycloaddition of 3-Alkoxycoumarins with C60
Authors: Ueda Mitsuhiro , Hayama Miho , Hashishita Hiroyuki
Published: October 2019

The [2+2] cycloaddition of 3-alkoxycoumarins with C60 proceeded stereoselectively under photoirradiation conditions to produce a new class of fullerene fused oligocyclic cyclobutane products. This reaction seems to progress via radical ion pair intermediates that arise from the SET processing of 3-alkoxycoumarins with the excited form of C60.
Hydrogen-Bond-Promoted Metal-Free Hydroamination of Alkynes
Authors: Bahri Janet , Tanbouza Nour , Ollevier Thierry , Taillefer Marc , Monnier Florian
Published: October 2019

An original metal-free regio- and stereoselective intermolecular hydroamination of alkynes is described. Various (E)-enamines were obtained from arylacetylenes and aliphatic secondary amines in the presence of ethylene glycol as a solvent. The latter is assumed to play a major role in the mechanism through hydrogen bonding and proton exchange.