bluuebunny/crossref_metadata_2025 huggingface dataset:
Highlights from Faraday Discussion: Meeting Challenges in the Analysis of Complex Natural Mixtures, Edinburgh, UK
Authors: Bell Nicholle G. A. , Godfrey A. Ruth
Published: August 2019

Against a backdrop of the golden gorse covered volcano (extinct) illuminated with strong sunshine, 98 delegates from around the world gathered in the John McIntyre Conference Centre, The University of Edinburgh, to discuss the most challenging of analytical problems: complex mixtures.
Morphology and phase evolution from CuS to Cu1.8S in a hydrothermal process and thermoelectric properties of Cu1.8S bulk
Authors: Zhang Rui , Wu Yin , Pei Jun , Ge Zhen-Hua , Zhang Bo-Ping , Sun Qiang , Nie Ge
Published: August 2019

CuS microflowers self-assembled from nanosheets were prepared by hydrothermal synthesis (HS) using CuCl2·2H2O and CS(NH2)2 as raw materials and glycol as a solvent at 120 and 140 °C for 1.5 h.
Mixed transition metal oxide nanowire arrays enabling hybrid capacitor performance enhancement
Authors: Zhao Depeng , Dai Meizhen , Tong Yongli , Song Xiufeng , Wu Xiang
Published: August 2019

Herein, we report MnO2@NiCo2O4 nanowire bundles grown on Ni foam by a facile hydrothermal route. The as-prepared products exhibit high areal capacitance of 452.1 C g−1 at 10 A g−1 and 88.6% of initial capacitance after 10 000 cycles.
Statistically representative databases for density functional theoryviadata science
Authors: Morgante Pierpaolo , Peverati Roberto
Published: August 2019

Cluster analysis applied to quantum chemistry: a new broad database of chemical properties with a reasonable computational cost.
Proton-coupled electron transfer in the reduction of diiron hexacarbonyl complexes and its enhancement on the electrocatalytic reduction of protons by a pendant basic group
Authors: Zhong Wei , Wu Li , Jiang Weidong , Li Yulong , Mookan Natarajan , Liu Xiaoming
Published: August 2019

The pendant basic groups in a diiron complex acted as proton relay to ease the kinetic resistance in proton reduction and enhance proton-coupled electron transfer (PCET).
4-Coordinated, 14-electron ruthenium(ii) chalcogenolate complexes: synthesis, electronic structure and reactions with PhICl2 and organic azides
Authors: Ng Wai-Ming , Guo Xueying , Cheung Wai-Man , So Yat-Ming , Chong Man-Chun , Sung Herman H.-Y. , Williams Ian D. , Lin Zhenyang , Leung Wa-Hung
Published: August 2019

RuIV hydroxo and tosylimido complexes are synthesized by reactions of [Ru(ER)2(PPh3)2] (E = S, Se; R = aryl) with PhICl2 and tosyl azide.
Investigation of the structural, optical and electrical properties of Ca2+ doped CuCoO2 nanosheets
Authors: Du Zijuan , Xiong Dehua , Qian Jinchen , Zhang Tianyang , Bai Jilin , Fang De , Li Hong
Published: August 2019

The size of CCCaO nanosheets decreased with increasing Ca dopant concentration, due to Ca2+ substitution on the Cu+ site in CCO nanocrystals.
Trace water affects tris(pentafluorophenyl)borane catalytic activity in the Piers–Rubinsztajn reaction
Authors: Schneider Alyssa F. , Chen Yang , Brook Michael A.
Published: August 2019

Hydrosilanes outcompete water in complexing to B(C6F5)3, but loss of pre-complexed water involves an induction time.
Correction: Cyaphide–alkynyl complexes: metal–ligand conjugation and the influence of remote substituents
Authors: Furfari Samantha K. , Leech Matthew C. , Trathen Nicola , Levis Madeleine C. , Crossley Ian R.
Published: August 2019

Correction for ‘Cyaphide–alkynyl complexes: metal–ligand conjugation and the influence of remote substituents’ by Samantha K. Furfari, et al., Dalton Trans., 2019, 48, 8131–8143.
The LMS-GT instrument – a new perspective for quantification with the LIMS-TOF measurement technique
Authors: Wiesendanger Reto , Grimaudo Valentine , Tulej Marek , Riedo Andreas , Lukmanov Rustam , Ligterink Niels , Fausch Rico , Shea Herbert , Wurz Peter
Published: August 2019

A new high-performance laser ablation and ionisation (LIMS) mass spectrometer for solid sample analysis with micrometer spatial- and up to 10 000 mass resolution is presented.
Dynamics of driftless preconcentration using ion concentration polarization leveraged by convection and diffusion
Authors: Baek Seongho , Choi Jihye , Son Seok Young , Kim Junsuk , Hong Seongjun , Kim Hee Chan , Chae Jong-Hee , Lee Hyomin , Kim Sung Jae
Published: August 2019

A nanoelectrokinetic study reveals that the Peclet number determines the shape of preconcentrated analytes, as either plug or dumbbell shaped.
Tetrathiopyridyl-tetrathiafulvalene-based Cd(ii) coordination polymers: one ligand, one metal cation, many possibilities
Authors: Bechu Damien , Rogez Guillaume , Hosseini Mir Wais , Baudron Stéphane A.
Published: August 2019

A novel tetrathiafulvalene derivative bearing four 4-thiopyridyl units has been assembled with Cd(ii) salts for the construction of a series of coordination polymers with different structural organization depending on the ligand conformation.
The idiosyncratic self-cleaning cycle of bacteria on regularly arrayed mechano-bactericidal nanostructures
Authors: Nguyen Duy H. K. , Loebbe Christian , Linklater Denver P. , Xu XiuMei , Vrancken Nandi , Katkus Tomas , Juodkazis Saulius , Maclaughlin Shane , Baulin Vladimir , Crawford Russell J. , Ivanova Elena P.
Published: August 2019

Bacterial cells are lysed when they attach onto regularly arrayed silicon nanopillars. Following cell lysis, the cell debris detaches from the surface and is released back into the immediate environment which allows for restored bactericidal activity of the substratum.
Ep7GT, a glycosyltransferase with sugar donor flexibility from Epimedium pseudowushanense, catalyzes the 7-O-glycosylation of baohuoside
Authors: Feng Keping , Chen Ridao , Xie Kebo , Chen Dawei , Liu Jimei , Du Wenyu , Yang Lin , Dai Jungui
Published: August 2019

A novel glycosyltransferase from Epimedium pseudowushanense, Ep7GT, regiospecifically catalyzes the 7-O-glucosylation of baohuoside to form icariin and shows sugar donor/acceptor promiscuity to yield different flavonoid glycosides.
Direct methyl C(sp3)–H azolation of thioanisoles via oxidative radical coupling
Authors: Wang Xin , Li Changhao , Zhang Yixiao , Zhang Bing , Sun Kai
Published: August 2019

A mild organocatalyst-enabled methyl C(sp3)–H bond azolation of thioanisoles has been developed, affording a facile route for the construction of nitrogen-functionalized thioanisoles.
Synthesis of chromans and kinetic resolution of 2-aryl-3-nitro-2H-chromenes via the NHC-bound azolium homoenolate pathway
Authors: Bhattacharya Aditya , mani Shukla Pushpendra , Kumar Kaushik Lalit , Maji Biswajit
Published: August 2019

Herein, an effective kinetic resolution (KR) of racemate 2-aryl-3-nitro-2H-chromenes to afford synthetically valuable chromans and 2H-chromenes through an NHC-bound acyl azolium homoenolate pathway has been demonstrated.
Salidroside inhibits the proliferation and migration of gastric carcinoma cells and tumor growthviathe activation of ERS-dependent autophagy and apoptosis
Authors: Yan Wei , Li Kai , Buhe Amin , Li Tianxiong , Tian Peirong , Hong Jun
Published: August 2019

The endoplasmic reticulum stress (ERS)-induced autophagy and apoptosis are favorable for the suppression of many cancer types.
Preparation of highly interconnected porous polymer microbeadsviasuspension polymerization of high internal phase emulsions for fast removal of oil spillage from aqueous environments
Authors: Cui Xiaoling , Shao Hong , Song Yuanrui , Yang Song , Wang Fengwei , Liu Huarong
Published: August 2019

Fabrication of highly interconnected porous (P(BA–SMA–St–DVB)) monoliths and microbeads for fast removal of oil spillage.
Introduction to Synthesis 4.0: towards an internet of chemistry
Authors: Bourne Richard A. , Hii King Kuok (Mimi) , Reizman Brandon J.
Published: August 2019

Guest Editors Richard Bourne, King Kuok (Mimi) Hii and Brandon Reizman introduce this themed collection on progress towards data-driven synthesis and an ‘internet of chemistry’.
Multi-responsive, self-healing and adhesive PVA based hydrogels induced by the ultrafast complexation of Fe3+ ions
Authors: Tie Jianfei , Liu Hongchen , Lv Jingchun , Wang Bijia , Mao Zhiping , Zhang Linping , Zhong Yi , Feng Xueling , Sui Xiaofeng , Xu Hong
Published: August 2019

A multi-responsive, self-healing and conductive hydrogel was prepared by the dynamic supramolecular complexation between polyvinyl alcohol acetoacetate (PVAA) and Fe3+.
Single iron atoms stabilized by microporous defects of biomass-derived carbon aerogels as high-performance cathode electrocatalysts for aluminum–air batteries
Authors: He Ting , Zhang Yaqian , Chen Yang , Zhang Zhenzhu , Wang Haiyan , Hu Yongfeng , Liu Min , Pao Chih-Wen , Chen Jeng-Lung , Chang Lo Yueh , Sun Zhifang , Xiang Juan , Zhang Yi , Chen Shaowei
Published: August 2019

Biomass-derived carbon aerogel with hierarchical porosity and FeN4 single atom sites outperforms platinum towards the oxygen reduction reaction in alkaline media and can be used as the cathode catalyst for aluminium–air batteries.
Multiple roles of a heterointerface in two-dimensional van der Waals heterostructures: insights into energy-related applications
Authors: Zhu Yuanzhi , Peng Wenchao , Li Yang , Zhang Guoliang , Zhang Fengbao , Fan Xiaobin
Published: August 2019

This review summarizes the recent advancements in constructing two dimensional (2D) van der Waals (vdW) heterostructures for applications in water splitting, Li+/Na+ ion batteries, and supercapacitors.
Symmetrically recombined nanofibers in a high-selectivity membrane for cation separation in high temperature and organic solvent
Authors: Zhao Yan , Qiu Yangbo , Mai Zhaohuan , Ortega Emily , Shen Jiangnan , Gao Congjie , Van der Bruggen Bart
Published: August 2019

Symmetrically recombining poly(p-phenylene terephthalamide) nanofibers and 2,5-diaminobenzenesulfonic acid based on amide hydrolysis and amide condensation reaction for ion separation in high temperature and organic solvent environment.
Mechanistic understanding of monovalent cation transport in eumelanin pigments
Authors: Tian Zhen , Hwang Wonseok , Kim Young Jo
Published: August 2019

Recent research advances in charge-conducting materials have enabled the transformation of the naturally-occurring materials into crucial components in many technologies, including renewable energy storage devices or bioelectronics.
Mechanochemical synthesis of inorganic halide perovskites: evolution of phase-purity, morphology, and photoluminescence
Authors: Palazon Francisco , El Ajjouri Yousra , Sebastia-Luna Paz , Lauciello Simone , Manna Liberato , Bolink Henk J.
Published: August 2019

Solvent-free mechanochemical synthesis of phase-pure inorganic halide perovskites is investigated in depth revealing several beneficial and detrimental effects of ball-milling.
New tools for an old question: dependence of ATP and bicarbonate for branched-chain keto acids oxidation
Authors: Brunetta Henver S. , Holloway Graham P.
Published: August 2019

Branched-chain keto acids (BCKA) metabolism involves several well-regulated steps within mitochondria, requires cofactors, and is modulated according to the metabolic status of the cells. This regulation has made it challenging to utilize in vitro approaches to determine the contribution of branched-chain amino acid oxidation to energy production. These methodological issues were elegantly addressed in a recent publication within the Biochemical Journal. In this issue, Goldberg et al. [Biochem. J. (2019) 476, 1521–1537] demonstrated in a well-designed system the dependence of ATP and bicarbonate for BCKA full oxidation. In addition, the utilized system allowed the authors to characterize specific biochemical routes within mitochondria for each BCKA. Among them, a quantitative analysis of the participation of BCKA on mitochondrial flux was estimated between tissues. These findings are milestones with meaningful impact in several fields of metabolism.
Interactions between motor domains in kinesin-14 Ncd — a molecular dynamics study
Authors: Ludwiczak Jan , Szczęsna Ewa , da Silva Neto Antônio Marinho , Cieplak Piotr , Kasprzak Andrzej A. , Jarmuła Adam
Published: August 2019

Minus-end directed, non-processive kinesin-14 Ncd is a dimeric protein with C-terminally located motor domains (heads). Generation of the power-stroke by Ncd consists of a lever-like rotation of a long superhelical ‘stalk’ segment while one of the kinesin's heads is bound to the microtubule. The last ∼30 amino acids of Ncd head play a crucial but still poorly understood role in this process. Here, we used accelerated molecular dynamics simulations to explore the conformational dynamics of several systems built upon two crystal structures of Ncd, the asymmetrical T436S mutant in pre-stroke/post-stroke conformations of two partner subunits and the symmetrical wild-type protein in pre-stroke conformation of both subunits. The results revealed a new conformational state forming following the inward motion of the subunits and stabilized with several hydrogen bonds to residues located on the border or within the C-terminal linker, i.e. a modeled extension of the C-terminus by residues 675–683. Forming of this new, compact Ncd conformation critically depends on the length of the C-terminus extending to at least residue 681. Moreover, the associative motion leading to the compact conformation is accompanied by a partial lateral rotation of the stalk. We propose that the stable compact conformation of Ncd may represent an initial state of the working stroke.
An integrative bioinformatics analysis of microarray data for identifying hub genes as diagnostic biomarkers of preeclampsia
Authors: Liu Keling , Fu Qingmei , Liu Yao , Wang Chenhong
Published: August 2019

Preeclampsia (PE) is a disorder of pregnancy that is characterised by hypertension and a significant amount of proteinuria beginning after 20 weeks of pregnancy. It is closely associated with high maternal morbidity, mortality, maternal organ dysfunction or foetal growth restriction. Therefore, it is necessary to identify early and novel diagnostic biomarkers of PE. In the present study, we performed a multi-step integrative bioinformatics analysis of microarray data for identifying hub genes as diagnostic biomarkers of PE. With the help of gene expression profiles of the Gene Expression Omnibus (GEO) dataset GSE60438, a total of 268 dysregulated genes were identified including 131 up- and 137 down-regulated differentially expressed genes (DEGs). Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses of DEGs suggested that DEGs were significantly enriched in disease-related biological processes (BPs) such as hormone activity, immune response, steroid hormone biosynthesis, metabolic pathways, and other signalling pathways. Using the STRING database, we established a protein–protein interaction (PPI) network based on the above DEGs. Module analysis and identification of hub genes were performed to screen a total of 17 significant hub genes. The support vector machines (SVMs) model was used to predict the potential application of biomarkers in PE diagnosis with an area under the receiver operating characteristic (ROC) curve (AUC) of 0.958 in the training set and 0.834 in the test set, suggesting that this risk classifier has good discrimination between PE patients and control samples. Our results demonstrated that these 17 differentially expressed hub genes can be used as potential biomarkers for diagnosis of PE.
Allostatic load and ageing: linking the microbiome and nutrition with age-related health
Authors: Shiels Paul G. , Buchanan Sarah , Selman Colin , Stenvinkel Peter
Published: August 2019

Ageing is a process of decline in physiological function and capability over time. It is an anticipated major burden on societal health-care costs due to an increasingly aged global population. Accelerated biological ageing is a feature of age-related morbidities, which also appear to share common underpinning features, including low-grade persistent inflammation, phosphate toxicity, diminished Nrf2 activity, a depleted metabolic capability, depressed mitochondrial biogenesis and a low diversity gut microbiome.

Social, psychological, lifestyle and nutritional risk factors can all influence the trajectory of age-related health, as part of an individual's exposome, which reflects the interplay between the genome and the environment. This is manifest as allostatic (over)load reflecting the burden of lifestyle/disease at both a physiological and molecular level. In particular, age-related genomic methylation levels and inflammatory status reflect exposome differences. These features may be mediated by changes in microbial diversity. This can drive the generation of pro-inflammatory factors, such as TMAO, implicated in the ‘diseasome’ of ageing. Additionally, it can be influenced by the ‘foodome’, via nutritional differences affecting the availability of methyl donors required for maintenance of the epigenome and by the provision of nutritionally derived Nrf2 agonists. Both these factors influence age-related physiological resilience and health. This offers novel insights into possible interventions to improve health span, including a rage of emerging senotherapies and simple modifications of the nutritional and environmental exposome. In essence, the emerging strategy is to treat ageing processes common to the diseasome of ageing itself and thus preempt the development or progression of a range of age-related morbidities.
Looking for Mickey Mouse™ But Finding a Munchkin: The Perceptual Effects of Frequency Upshifts for Single-Sided Deaf, Cochlear Implant Patients
Authors: Dorman Michael F. , Natale Sarah C. , Zeitler Daniel M. , Baxter Leslie , Noble Jack H.
Published: August 2019

Purpose

Our aim was to make audible for normal-hearing listeners the Mickey Mouse™ sound quality of cochlear implants (CIs) often found following device activation.

Method

The listeners were 3 single-sided deaf patients fit with a CI and who had 6 months or less of CI experience. Computed tomography imaging established the location of each electrode contact in the cochlea and allowed an estimate of the place frequency of the tissue nearest each electrode. For the most apical electrodes, this estimate ranged from 650 to 780 Hz. To determine CI sound quality, a clean signal (a sentence) was presented to the CI ear via a direct connect cable and candidate, and CI-like signals were presented to the ear with normal hearing via an insert receiver. The listeners rated the similarity of the candidate signals to the sound of the CI on a 1- to 10-point scale, with 10 being a complete match.

Results

To make the match to CI sound quality, all 3 patients need an upshift in formant frequencies (300–800 Hz) and a metallic sound quality. Two of the 3 patients also needed an upshift in voice pitch (10–80 Hz) and a muffling of sound quality. Similarity scores ranged from 8 to 9.7.

Conclusion

The formant frequency upshifts, fundamental frequency upshifts, and metallic sound quality experienced by the listeners can be linked to the relatively basal locations of the electrode contacts and short duration experience with their devices. The perceptual consequence was not the voice quality of Mickey Mouse™ but rather that of Munchkins in
The Wizard of Oz
for whom both formant frequencies and voice pitch were upshifted.

Supplemental Material

https://doi.org/10.23641/asha.9341651
Dynamics of cluster-forming hub-filament systems
Authors: Treviño-Morales S. P. , Fuente A. , Sánchez-Monge Á. , Kainulainen J. , Didelon P. , Suri S. , Schneider N. , Ballesteros-Paredes J. , Lee Y.-N. , Hennebelle P. , Pilleri P. , González-García M. , Kramer C. , García-Burillo S. , Luna A. , Goicoechea J. R. , Tremblin P. , Geen S.
Published: August 2019

Context. High-mass stars and star clusters commonly form within hub-filament systems. Monoceros R2 (hereafter Mon R2), at a distance of 830 pc, harbors one of the closest of these systems, making it an excellent target for case studies.

Aims. We investigate the morphology, stability and dynamical properties of the Mon R2 hub-filament system.

Methods. We employed observations of the 13CO and C18O 1 →0 and 2 →1 lines obtained with the IRAM-30 m telescope. We also used H2 column density maps derived from Herschel dust emission observations.

Results. We identified the filamentary network in Mon R2 with the DisPerSE algorithm and characterized the individual filaments as either main (converging into the hub) or secondary (converging to a main filament). The main filaments have line masses of 30–100 M⊙ pc−1 and show signs of fragmentation, while the secondary filaments have line masses of 12–60 M⊙ pc−1 and show fragmentation only sporadically. In the context of Ostriker’s hydrostatic filament model, the main filaments are thermally supercritical. If non-thermal motions are included, most of them are transcritical. Most of the secondary filaments are roughly transcritical regardless of whether non-thermal motions are included or not. From the morphology and kinematics of the main filaments, we estimate a mass accretion rate of 10−4–10−3 M⊙ yr−1 into the central hub. The secondary filaments accrete into the main filaments at a rate of 0.1–0.4 × 10−4 M⊙ yr−1. The main filaments extend into the central hub. Their velocity gradients increase toward the hub, suggesting acceleration of the gas. We estimate that with the observed infall velocity, the mass-doubling time of the hub is ~2.5 Myr, ten times longer than the free-fall time, suggesting a dynamically old region. These timescales are comparable with the chemical age of the HII region. Inside the hub, the main filaments show a ring- or a spiral-like morphology that exhibits rotation and infall motions. One possible explanation for the morphology is that gas is falling into the central cluster following a spiral-like pattern.
Combining high-contrast imaging and radial velocities to constrain the planetary architectures of nearby stars
Authors: Boehle A. , Quanz S. P. , Lovis C. , Ségransan D. , Udry S. , Apai D.
Published: August 2019

Context. Nearby stars are prime targets for exoplanet searches and characterization using a variety of detection techniques. Combining constraints from the complementary detection methods of high-contrast imaging (HCI) and radial velocity (RV) can further constrain the planetary architectures of these systems because these methods place limits at different regions of the companion mass and semi-major axis parameter space. Compiling a census of the planet population in the solar neighborhood is important to inform target lists for future space missions that will specifically target nearby stars to search for Earth analogs.

Aims. We aim to constrain the planetary architectures from the combination of HCI and RV data for six nearby stars within 6 pc: τ Ceti, Kapteyn’s star, AX Mic, 40 Eri, HD 36395, and HD 42581. We explored where HCI adds information to constraints from the long-term RV monitoring data for these stars.

Methods. We compiled the sample from stars with available archival VLT/NACO HCI data at L′ band (3.8 μm), where we expect substellar companions to be brighter for the typically older ages of nearby field stars (>1 Gyr). The NACO data were fully reanalyzed using the state-of-the-art direct imaging pipeline PynPoint and combined with RV data from HARPS, Keck/HIRES, and CORALIE. A Monte Carlo approach was used to assess the completeness in the companion mass and semi-major axis parameter space from the combination of the HCI and RV data sets.

Results. We find that the HCI data add significant information to the RV constraints, increasing the completeness for certain companions masses and semi-major axes by up to 68–99% for four of the six stars in our sample, and by up to 1–13% for the remaining stars. The improvements are strongest for intermediate semi-major axes (15–40 AU), corresponding to the semi-major axes of the ice giants in our own solar system. The HCI mass limits reach 5–20 MJup in the background-limited regime, depending on the age of the star.

Conclusions. Through the combination of HCI and RV data, we find that stringent constraints can be placed on the possible substellar companions in these systems. Applying these methods systematically to nearby stars will quantify our current knowledge of the planet population in the solar neighborhood and inform future observations.
Pain is vital in resuscitation in trauma
Authors: Saranteas Theodosios , Kostroglou Andreas , Anagnostopoulos Dimitrios , Giannoulis Dimitrios , Vasiliou Pantelis , Mavrogenis Andreas F.
Published: August 2019

Implementation of the ATLS algorithm has remarkably improved the resuscitation of trauma patients and has significantly contributed to the systematic management of multi-trauma patients. However, pain remains the most prevalent complaint in trauma patients, and can induce severe complications, further deterioration of health, and death of the patient. Providing appropriate and timely pain management to these patients prompts early healing, reduces stress response, shortens hospital Length of Stay (LOS), diminishes chronic pain, and ultimately reduces morbidity and mortality. Pain has been proposed to be evaluated as the fifth vital sign and be recorded in the vital sign charts in order to emphasize the importance of pain on short- and long-term outcomes of the patients. However, although the quality of pain treatment seems to be improving we believe that pain has been underestimated in trauma. This article aims to provide evidence for the importance of pain in trauma, to support its management in the emergency setting and the acute phase of patients’ resuscitation, and to emphasize on the necessity to introduce the letter P (pain) in the ATLS alphabet.
Obstipation – Pathophysiologie, Diagnostik, Behandlung
Authors: Müller-Lissner Stefan
Published: August 2019

The most relevant risk factors for the development of chronic constipation are neurologic disorders such as Parkinson’s disease, immobility, and some drugs, in particular opioids. A proctologic exam and exclusion of red flags form part of the basic assessment. The currently available laxatives are effective and safe, habituation and tolerance (tachyphylaxis) being an exception. Also long-term intake of laxatives is of no concern when taken in recommended doses (no relevant hypokalemia!). Though the newer compounds (e. g., prucalopride, linaclotide, lubiprostone) are not more effective than the older ones, developing new drugs with alternative mode of action is reasonable since there are patients not satisfied with the currently available substances. Macrogol, Bisacodyl, and sodium picosulfate are the laxatives of first choice. Their selection depends on the individual preference of the patient. Opioids often induce constipation which can be ameliorated by laxatives or PAMORAs (peripherally acting µ-opioid antagonists).
Myokardiale Revaskularisation bei Patienten mit Diabetes mellitus
Authors: Haller Paul Michael , Westermann Dirk
Published: August 2019

Patienten mit Diabetes mellitus stellen eine wesentliche Subgruppe aller Patienten mit koronarer Herzkrankheit dar. Unter anderem aufgrund des diabetesbedingten, oftmals aggressiven Voranschreitens der koronaren Herzkrankheit präsentiert sich diese Patientengruppe gewöhnlich mit einer komplexen Koronarmorphologie, unter anderem mit Befall mehrerer Gefäße und gegebenenfalls auch einer Beteiligung des linken Hauptstamms. Die Prognose dieser Patienten ist verglichen mit Patienten ohne Diabetes mellitus außerdem deutlich schlechter. Entsprechend herausfordernd ist die richtige Wahl der koronaren Revaskularisation bei symptomatischen Patienten. Zumal die meisten Patienten mit Diabetes mellitus einen Befall mehrerer Herzkranzgefäße aufweisen, sollte die Entscheidung über das weitere Vorgehen auf einer interdisziplinären Diskussion im Heart-Team beruhen. Denn vor allem im Langzeitverlauf profitieren Patienten mit Diabetes mellitus von einer Versorgung mittels aortokoronaren Bypasses, was sich mit einer Reduktion der Gesamtsterblichkeit und einer geringeren Rate an Myokardinfarkten zeigt.
Myokardrevaskularisierung im infarktbedingten kardiogenen Schock
Authors: Freund Anne , Desch Steffen , Thiele Holger
Published: August 2019

Circa 10% der Patienten mit akutem Myokardinfarkt entwickeln einen kardiogenen Schock. Der wichtigste Eckpfeiler zur Therapie des infarktbedingten Schockes ist die frühzeitige Revaskularisierung. Es konnte in randomisierten Studien eine signifikante Verbesserung des Überlebens im Vergleich zu einer alleinigen medikamentösen Therapie belegt werden. Die perkutane Koronarintervention ist die dominierende Methode der Revaskularisierung. Bei mechanischen Komplikationen oder komplexer Koronaranatomie wird eine zeitnahe Konsultation des Heartteams empfohlen. Im Falle einer perkutanen Intervention bei koronarer Mehrgefäßerkrankung konnte in der randomisierten CULPRIT-SHOCK-Studie ein Überlebensvorteil für Patienten mit initial alleiniger Versorgung des infarktverursachenden Gefäßes im Vergleich zur sofortigen Mehrgefäßintervention gezeigt werden. Die Evidenz zu Therapieregimen bezüglich Antikoagulation und Thrombozytenaggregationshemmung ist gering.
Das retrobulbäre Hämatom – eine potenziell visusbedrohende Komplikation
Authors: Kopecky Adam , Rokohl Alexander Christopher , Nemcansky Jan , Koch Konrad R. , Matousek Petr , Heindl Ludwig M.
Published: August 2019

Das retrobulbäre Hämatom (RBH) ist eine seltene, aber potenziell visusbedrohende Komplikation nach einem Trauma oder auch nach einem chirurgischen Eingriff. Die Diagnose muss dabei zeitnah gestellt werden, da nur eine rasche chirurgische Intervention irreversible Visusminderungen adäquat verhindern kann. Da es aufgrund der knöchernen orbitalen Begrenzung kaum Raum für das zunehmende, intraorbitale Volumen durch die retrobulbäre Blutung gibt, kommt es zu einer Erhöhung des intraorbitalen Drucks und konsekutiv zu einer Kompression des N. opticus. Mögliche Symptome umfassen insbesondere Motilitätsstörungen bis zur Ophthalmoplegie, eine Diplopie, eine Bindehautchemose, subkonjunktivale Blutungen, einen Exophthalmus, einen erhöhten intraokulären Druck, eine Verschlechterung der Sehschärfe sowie eine reduzierte direkte Lichtreaktion und ein relatives afferentes Pupillendefizit. Wenn die Ursache traumatisch oder iatrogen bedingt ist, ist eine zeitnahe, laterale Kanthotomie mit
Kantholyse das Mittel der Wahl und sorgt in den meisten Fällen für eine erfolgreiche Druckentlastung. Die Kanthotomie mit Kantholyse kann auch sehr gut in der Notaufnahme durch den Augenarzt durchgeführt werden und ist ggf. sogar ohne eine vorherige Bildgebung indiziert. Da die Rekonstruktion der Kantholyse meist unkompliziert möglich ist, empfehlen wir die Durchführung dieser Entlastung bereits, wenn klinisch der hochgradige Verdacht auf eine RBH gestellt wird. Sollte die Kanthotomie mit Kantholyse nicht für eine ausreichende Entlastung sorgen, muss eine chirurgische Orbitadekompression durchgeführt werden. Therapiebegleitend sollte immer eine pharmakologische Therapie mit Steroiden stattfinden.
Fixierung von Hauttransplantaten mit Vakuumversiegelung: Eine sinnvolle Option?
Authors: Meissner Markus
Published: August 2019

Die Vakuumversiegelung (VS) ist eine seit circa 20 Jahren in der klassischen Wundversorgung nicht mehr wegzudenkende Therapieoption. Insbesondere im Bereich der Wundgrundkonditionierung von chronischen Wunden nimmt sie einen wichtigen Stellenwert ein. In den letzten Jahren wird die Vakuumversiegelung auch zur Fixierung und dem postoperativen Wundmanagement nach Hauttransplantation immer häufiger eingesetzt. Die vorliegende Übersichtsarbeit beschäftigt sich mit den Daten und Evidenzen eines solche Vorgehens und zeigt Möglichkeiten der Nutzung auf.
A Practical Synthesis of Ammonia from Nitrogen Gas, Samarium Diiodide and Water Catalyzed by a Molybdenum–PCP Pincer Complex
Authors: Ashida Yuya , Kondo Shoichi , Arashiba Kazuya , Kikuchi Takamasa , Nakajima Kazunari , Kakimoto Seizo , Nishibayashi Yoshiaki
Published: August 2019

A practical method for ammonia synthesis is described. The reaction of atmospheric pressure of nitrogen gas with samarium diiodide as a reducing reagent and water as a proton source in the presence of a catalytic amount of a molybdenum trichloride complex bearing a PCP [1,3-bis(di-tert-butylphosphinomethyl)benzimidazol-2-ylidene]-type pincer ligand occurs under ambient conditions to afford ammonium sulfate after treatment with sulfuric acid.
Copper-Catalyzed Radical Bis(trifluoromethylation) of Alkynes and 1,3-Enynes
Authors: Shen Haigen , Xiao Hawen , Zhu Lin , Li Chaozhong
Published: August 2019

The copper-catalyzed radical bis(trifluoromethylation) of alkynes and 1,3-enynes is described. With Cu(CH3CN)4BF4 as the catalyst, the reaction of arylalkynes with Togni reagent II and (bpy)Zn(CF3)2at room temperature affords the corresponding 1,2-bis(trifluoromethylated) alkenes in good yields with excellent E-stereoselectivity. Under similar conditions, the reaction of 1,3-enynes provides the corresponding 1,4-bis(trifluoromethylated) allenes exclusively in satisfactory yields. The protocol exhibits broad substrate scope and excellent functional group compatibility.
On the pre-Lie algebra of specified Feynman graphs
Authors: Mohamed Mohamed Belhaj
Published: August 2019

We study the pre-Lie algebra of specified Feynman graphs ṼT and we define a pre-Lie structure on its doubling space F̃T. We prove that F̃T is pre-Lie module on ṼT and we find some relations between the two pre-Lie structures. Also, we study the enveloping algebras of two pre-Lie algebras denoted respectively by (D′̃T,★,Φ) and (H′̃T,⋆,Ψ) and we prove that (D′̃T,★,Φ) is a module-bialgebra on (H′̃T,⋆,Ψ).
Mechanisms underpinning the ultrahigh piezoelectricity in Sm-doped 0.705Pb(Mg1/3Nb2/3)O3-0.295PbTiO3: Temperature-induced metastable local structure and field-induced polarization rotation
Authors: Zhao Changhao , Li Fei , Zhang Shujun , Li Shengtao , Jones Jacob L.
Published: August 2019

The solid solution of (100 − x)%Pb(Mg1/3Nb2/3)O3-x%PbTiO3 (PMN-xPT) exhibits ultrahigh piezoelectric and dielectric properties near the morphotropic phase boundary compositions and, thus, has been extensively studied in recent years. Recently, 2.5 mol. % Sm-doped PMN-29PT polycrystalline ceramics were reported to possess the highest piezoelectric coefficients (∼1500 pC/N) among all reported piezoceramics, but the atomic-scale mechanisms for such high piezoelectric properties are not yet clear. In this paper, in situ X-ray diffraction and X-ray total scattering measurements during the application of an electric field, together with in situ total scattering measurement at different temperatures, were conducted for 2.5 mol. % Sm-doped PMN-29.5PT (2.5Sm-PMN-29.5PT). Both the largest field-induced strain and the piezoelectric response were found in the crystallites oriented with their ⟨100⟩PC directions parallel to the applied field. The local Pb displacement was analyzed using the reverse Monte Carlo method based on the pair distribution functions at different temperatures, where a temperature-induced directional change of Pb displacement was observed. Based on the experimental observations, a field-induced polarization rotation is suggested to be the dominant mechanism for the ultrahigh piezoelectricity of the 2.5Sm-PMN-29.5PT ceramic, while the ease of polarization rotation is possibly attributed to the temperature-induced metastable local monoclinic symmetries with their polar axes close to ⟨111⟩PC.
Electroforming-free resistive switching in yttrium manganite thin films by cationic substitution
Authors: Rayapati Venkata Rao , Bürger Danilo , Du Nan , Patra Rajkumar , Skorupa Ilona , Blaschke Daniel , Stöcker Hartmut , Matthes Patrick , Schulz Stefan E. , Schmidt Heidemarie
Published: August 2019

We report unipolar resistive switching in polycrystalline, hexagonal yttrium manganite thin films grown on unpatterned Pt metal coated SiO2/Si substrates with circular Al top electrodes. Electroforming-free or electroforming-based resistive switching is observed, depending on the chemical composition (Y1Mn1O3, Y0.95Mn1.05O3, Y1Mn0.99Ti0.01O3, and Y0.94Mn1.05Ti0.01O3). The number of loading cycles measured at room temperature for samples with Y1Mn1O3 and Y0.95Mn1.05O3 composition is larger than 103. The dominant conduction mechanism of the metal–insulator–metal structures between 295 K and 373 K in the high resistance state is space charge limited conduction and in the low resistance state is ohmic conduction. Activation energies in Ohm's law region in the high resistance state are calculated from the Arrhenius equation and are evaluated to be 0.39 ± 0.01 eV (Y1Mn1O3), 0.43 ± 0.01 eV (Y0.95Mn1.05O3), 0.34 ± 0.01 eV (Y1Mn0.99Ti0.01O3), and 0.38 ± 0.02 eV (Y0.94Mn1.05Ti0.01O3).
Rapid wafer-scale fabrication with layer-by-layer thickness control of atomically thin MoS2 films using gas-phase chemical vapor deposition
Authors: Shinde Nitin Babu , Francis Bellarmine , Ramachandra Rao M. S. , Ryu Beo Deul , Chandramohan S. , Eswaran Senthil Kumar
Published: August 2019

Design and development of the growth-process for the production of wafer-scale spatially homogeneous thickness controlled atomically thin transition metal dichalcogenides (TMDs) is one of the key challenges to realize modern electronic devices. Here, we demonstrate rapid and scalable synthesis of MoS2 films with precise thickness control via gas-phase chemical vapor deposition approach. We show that a monolayer MoS2 can be synthesized over a 2-in. sapphire wafer in a growth time as low as 4 min. With a linear growth rate of 1-layer per 4 min, MoS2 films with thicknesses varying from 1- to 5-layers with monolayer precision are produced. We propose that, in addition to Raman spectroscopy, the energy splitting of exciton bands in optical-absorbance spectra may be another choice for layer thickness identification. With suitable precursor selection, our approach can facilitate the rapid synthesis of spatially homogeneous atomically thin TMDs on a large scale.
Ultra-high (>30%) coupling efficiency designs for demonstrating central hot-spot ignition on the National Ignition Facility using a Frustraum
Authors: Amendt Peter , Ho Darwin , Ping Yuan , Smalyuk Vladimir , Khan Shahab , Lindl John , Strozzi David , Tommasini Riccardo , Belyaev Mikhail , Cerjan Charles , Jones Oggie , Kruer William , Meezan Nathan , Robey Harry , Tsung Frank , Weber Chris , Young Chris
Published: August 2019

A new hohlraum geometry or “Frustraum” is proposed that may enable 2–3× higher capsule absorbed x-ray energy than for nominally sized capsules in standard cylinders. The Frustraum geometry comprises two truncated conical halves (or “frusta”) joined at the waist. An associated larger waist volume above the capsule allows fielding ∼50% larger capsules than the nominal 1 mm (radius) scale. A key feature of the Frustraum is that the outer laser cones strike the Frustraum ends at a higher glancing angle (by ∼23°) compared with a cylinder and generate more specular reflection. A scenario for boosted symmetry control from the outer cones reflecting off a glancing angle hohlraum wall depends on the choice of electron flux limit in the simulations. Recent data from the National Ignition Facility using oversized aluminum shells in rugby-shaped hohlraums [Ping et al., Nat. Phys. 15, 138 (2019)] come closest to approximating a Frustraum and are consistent with a flux limit of 0.03–0.04 in matching the simulated Dante drive history, the backlit trajectory of the Al shell, neutron yield, and implosion time. Applying this simulation methodology to hot-spot ignition designs in a Frustraum shows effective symmetry control and sufficient drive (∼290 eV) to enable high yield, moderate convergence implosions. Simulations suggest that adjusting the obliquity of the Frustraum wall is a robust lever for symmetry tuning. A high adiabat (α = 4.6) ignition design with a shortened laser pulse (<7 ns) is proposed to provide further margin to potential late-time loss of symmetry control from hohlraum filling and anomalous sources of fuel preheat.
Aggregation dynamics of charged peptides in water: Effect of salt concentration
Authors: Ghosh Susmita , T Devanand , Baul Upayan , Vemparala Satyavani
Published: August 2019

Extensive molecular dynamics simulations have been employed to probe the effects of salts on the kinetics and dynamics of early-stage aggregated structures of steric zipper peptides in water. The simulations reveal that the chemical identity and valency of cation in the salt play a crucial role in aggregate dynamics and morphology of the peptides. Sodium ions induce the most aggregated structures, but this is not replicated equivalently by potassium ions which are also monovalent. Divalent magnesium ions induce aggregation but to a lesser extent than that of sodium, and their interactions with the charged peptides are also significantly different. The aggregate morphology in the presence of monovalent sodium ions is a compact structure with interpenetrating peptides, which differs from the more loosely connected peptides in the presence of either potassium or magnesium ions. The different ways in which the cations effectively renormalize the charges of peptides are suggested to be the cause of the differential effects of different salts studied here. These simulations underscore the importance of understanding both the valency and nature of salts in biologically relevant aggregated structures.
Thermoelectric phase diagram of the SrTiO3-LaTiO3 solid-solution system through a metal to Mott insulator transition
Authors: Zhang Yuqiao , Sugo Kenyu , Cho Hai Jun , Ohta Hiromichi
Published: August 2019

Systematic clarification of thermoelectric properties of a solid-solution system is essentially important, especially if the materials have different crystal and electronic structures. Here, we report the thermoelectric phase diagram of the full-range Sr1 − xLaxTiO3 solid solutions composed of a band insulator SrTiO3 (cubic perovskite) and a Mott insulator LaTiO3 (distorted perovskite), which shows the room temperature thermoelectric power factor changing pattern with the La substitution (x) in the SrTiO3 system. We measured the room temperature thermoelectric properties of Sr1 − xLaxTiO3 (0.01 ≤ x ≤ 1) epitaxial films grown by the pulsed laser deposition and found that there are two thermoelectric phase boundaries at x ∼ 0.5 and x ∼ 0.7 in the Sr1 − xLaxTiO3 system. The former is attributed to the lattice distortion from cubic to orthorhombic variation, whereas the latter is due to the electronic phase transition from metal to Mott insulator. The thermoelectric phase diagram obtained in our study will be fruitful for the future design of n-type thermoelectric materials based on the electron-doped SrTiO3.
The Velociprobe: An ultrafast hard X-ray nanoprobe for high-resolution ptychographic imaging
Authors: Deng Junjing , Preissner Curt , Klug Jeffrey A. , Mashrafi Sheikh , Roehrig Christian , Jiang Yi , Yao Yudong , Wojcik Michael , Wyman Max D. , Vine David , Yue Ke , Chen Si , Mooney Tim , Wang Maoyu , Feng Zhenxing , Jin Dafei , Cai Zhonghou , Lai Barry , Vogt Stefan
Published: August 2019

Motivated by the advanced photon source upgrade, a new hard X-ray microscope called “Velociprobe” has been recently designed and built for fast ptychographic imaging with high spatial resolution. We are addressing the challenges of high-resolution and fast scanning with novel hardware designs, advanced motion controls, and new data acquisition strategies, including the use of high-bandwidth interferometric measurements. The use of granite, air-bearing-supported stages provides the necessary long travel ranges for coarse motion to accommodate real samples and variable energy operation while remaining highly stable during fine scanning. Scanning the low-mass zone plate enables high-speed and high-precision motion of the probe over the sample. With an advanced control algorithm implemented in a closed-loop feedback system, the setup achieves a position resolution (3σ) of 2 nm. The instrument performance is evaluated by 2D fly-scan ptychography with our developed data acquisition strategies. A spatial resolution of 8.8 nm has been demonstrated on a Au test sample with a detector continuous frame rate of 200 Hz. Using a higher flux X-ray source provided by double-multilayer monochromator, we achieve 10 nm resolution for an integrated circuit sample in an ultrafast scan with a detector’s full continuous frame rate of 3000 Hz (0.33 ms per exposure), resulting in an outstanding imaging rate of 9 × 104 resolution elements per second.
Diffusive impurity transport driven by trapped particle turbulence in tokamak plasmas
Authors: Gravier E. , Lesur M. , Garbet X. , Sarazin Y. , Médina J. , Lim K. , Idouakass M.
Published: August 2019

The diffusive impurity transport as a function of charge and mass numbers is investigated in ion driven or electron driven turbulence, in the limit of zero impurity temperature gradient. It is found that the impurity transport decreases slightly with increasing mass number and depends much more strongly on the charge number. Moreover, this transport depends on the nature of the instability that drives turbulence. The impurity flux due to Trapped Electron Mode (TEM) turbulence increases with the charge number Z. In contrast, it is found to decrease with Z when the Trapped Ion Mode (TIM) dominated. In order to explain these observations, the quasilinear flux is derived and is compared with the results obtained from the nonlinear simulations. Quasilinear theory qualitatively reproduces the gyrokinetic numerical observations.
Range-separated double-hybrid density-functional theory with coupled-cluster and random-phase approximations
Authors: Kalai Cairedine , Mussard Bastien , Toulouse Julien
Published: August 2019

We construct range-separated double-hybrid (RSDH) schemes which combine coupled-cluster or random-phase approximations (RPAs) with a density functional based on a two-parameter Coulomb-attenuating-method-like decomposition of the electron-electron interaction. We find that the addition of a fraction of short-range electron-electron interaction in the wave-function part of the calculation is globally beneficial for the RSDH scheme involving a variant of the RPA with exchange terms. Even though the latter scheme is globally as accurate as the corresponding scheme employing only second-order Møller-Plesset perturbation theory for atomization energies, reaction barrier heights, and weak intermolecular interactions of small molecules, it is more accurate for the more complicated case of the benzene dimer in the stacked configuration. The present RSDH scheme employing a RPA thus represents a new member in the family of double hybrids with minimal empiricism which could be useful for general chemical applications.
Acidic aqueous solution switching of magnetism in BiFeO3/La1 − xSrxMnO3 heterostructures
Authors: Ma Ji , Tian Yu , Chen Mingfeng , Wang Jing , Ma Jing , Zhang Jinxing , Nan Ce-Wen
Published: August 2019

Control of magnetism in multiferroic heterostructures using low-energy consumption is significant both in fundamental physics and for practical applications such as storage or logic devices. Through switching the ferroelectric polarization of the whole BiFeO3 films using an acidic aqueous solution, we studied the deterministic control of exchange coupling and magnetization in BiFeO3/La1 − xSrxMnO3 heterostructures. It is found that the hole concentration of La1 − xSrxMnO3 is closely coupled with BiFeO3 polarization, which can be used to switch the interfacial magnetism. The polarization-determined exchange coupling for the Sr concentration of x = 0.2 is contrary to that of x = 0.33 and 0.5 due to different double exchange strengths, while for x = 0.5, the coupling effects are more sensitive to polarization. This work provides a pathway to control interfacial magnetism and multiferroicity at a large scale using green energy.