bluuebunny/crossref_metadata_2025 huggingface dataset:
Rab27a co-ordinates actin-dependent transport by controlling organelle-associated motors and track assembly proteins
Authors: Alzahofi Noura , Welz Tobias , Robinson Christopher L. , Page Emma L. , Briggs Deborah A. , Stainthorp Amy K. , Reekes James , Elbe David A. , Straub Felix , Kallemeijn Wouter W. , Tate Edward W. , Goff Philip S. , Sviderskaya Elena V. , Cantero Marta , Montoliu Lluis , Nedelec Francois , Miles Amanda K. , Bailly Maryse , Kerkhoff Eugen , Hume Alistair N.
Published: July 2020

Cell biologists generally consider that microtubules and actin play complementary roles in long- and short-distance transport in animal cells. On the contrary, using melanosomes of melanocytes as a model, we recently discovered that the motor protein myosin-Va works with dynamic actin tracks to drive long-range organelle dispersion in opposition to microtubules. This suggests that in animals, as in yeast and plants, myosin/actin can drive long-range transport. Here, we show that the SPIRE-type actin nucleators (predominantly SPIRE1) are Rab27a effectors that co-operate with formin-1 to generate actin tracks required for myosin-Va-dependent transport in melanocytes. Thus, in addition to melanophilin/myosin-Va, Rab27a can recruit SPIREs to melanosomes, thereby integrating motor and track assembly activity at the organelle membrane. Based on this, we suggest a model in which organelles and force generators (motors and track assemblers) are linked, forming an organelle-based, cell-wide network that allows their collective activity to rapidly disperse the population of organelles long-distance throughout the cytoplasm.
Gene regulatory network inference from sparsely sampled noisy data
Authors: Aalto Atte , Viitasaari Lauri , Ilmonen Pauliina , Mombaerts Laurent , Gonçalves Jorge
Published: July 2020

The complexity of biological systems is encoded in gene regulatory networks. Unravelling this intricate web is a fundamental step in understanding the mechanisms of life and eventually developing efficient therapies to treat and cure diseases. The major obstacle in inferring gene regulatory networks is the lack of data. While time series data are nowadays widely available, they are typically noisy, with low sampling frequency and overall small number of samples. This paper develops a method called BINGO to specifically deal with these issues. Benchmarked with both real and simulated time-series data covering many different gene regulatory networks, BINGO clearly and consistently outperforms state-of-the-art methods. The novelty of BINGO lies in a nonparametric approach featuring statistical sampling of continuous gene expression profiles. BINGO’s superior performance and ease of use, even by non-specialists, make gene regulatory network inference available to any researcher, helping to decipher the complex mechanisms of life.
Design of a MAPK signalling cascade balances energetic cost versus accuracy of information transmission
Authors: Anders Alexander , Ghosh Bhaswar , Glatter Timo , Sourjik Victor
Published: July 2020

Cellular processes are inherently noisy, and the selection for accurate responses in presence of noise has likely shaped signalling networks. Here, we investigate the trade-off between accuracy of information transmission and its energetic cost for a mitogen-activated protein kinase (MAPK) signalling cascade. Our analysis of the pheromone response pathway of budding yeast suggests that dose-dependent induction of the negative transcriptional feedbacks in this network maximizes the information per unit energetic cost, rather than the information transmission capacity itself. We further demonstrate that futile cycling of MAPK phosphorylation and dephosphorylation has a measurable effect on growth fitness, with energy dissipation within the signalling cascade thus likely being subject to evolutionary selection. Considering optimization of accuracy versus the energetic cost of information processing, a concept well established in physics and engineering, may thus offer a general framework to understand the regulatory design of cellular signalling systems.
Free space super focusing using all dielectric hyperbolic metamaterial
Authors: Salama Norhan A. , Desouky Mai , Obayya S. S. A. , Swillam Mohamed A.
Published: July 2020

Despite that Hyperbolic Metamaterial (HMM) has demonstrated sub-wavelength focusing inside of it, sub-wavelength imaging in free space of HMM is rarely introduced. The decay of hyperbolic momentum space outside the hyperbolic medium has hindered the realization of sub-wavelengh focusing in the near field of HMM. Furthermore, manipulating the negatively refracted waves exiting the HMM have addressed another major obstacle to realize free space sub-wavelength focusing. In this work, we report extended sub-wavelength focusing in free space based on negative refraction of light exiting the HMM. The proposed structure is composed of multilayers of doped InAs/intrinsic InAs integrated with metallic slit. We theoretically simulate the doped InAs/intrinsic InAs HMM and investigate the negative refraction behavior outside the HMM. We optimized the structure for achieving high resolution down to 0.2λ, extended to a distance of 3.2 µm in free space. Also, sub-wavelength focusing in free space has been studied at different doping concentrations showing that the small doping concentrations exhibit enhancement in resolution at short distances up to 600 nm away from the HMM. Extending the focusing distance is achieved up to distance 3.5 µm from the hyperbolic structure by manipulating the doping concentration. This proposed lens configuration is expected to find potential usage in mid IR thermal imaging and photolithography application.
Temporal clustering of prey in wildlife passages provides no evidence of a prey-trap
Authors: Martinig April Robin , Riaz Mahnoor , St. Clair Colleen Cassady
Published: July 2020

Wildlife passages are structures built across roads to facilitate wildlife movement and prevent wildlife collisions with vehicles. The efficacy of these structures could be reduced if they funnel prey into confined spaces at predictable locations that are exploited by predators. We tested the so-called prey-trap hypothesis using remote cameras in 17 wildlife passages in Quebec, Canada from 2012 to 2015 by measuring the temporal occurrence of nine small and medium-sized mammal taxa (< 30 kg) that we classified as predators and prey. We predicted that the occurrence of a prey-trap would be evidenced by greater frequencies and shorter latencies of sequences in which predators followed prey, relative to prey–prey sequences. Our results did not support the prey-trap hypothesis; observed prey–predator sequences showed no difference or were less frequent than expected, even when prey were unusually abundant or rare or at sites with higher proportions of predators. Prey–predator latencies were also 1.7 times longer than prey–prey sequences. These results reveal temporal clustering of prey that may dilute predation risk inside wildlife passages. We encourage continued use of wildlife passages as mitigation tools.
Maternal glucose homeostasis is impaired in mouse models of gestational cholestasis
Authors: Bellafante Elena , McIlvride Saraid , Nikolova Vanya , Fan Hei Man , Manna Luiza Borges , Chambers Jenny , Machirori Mavis , Banerjee Anita , Murphy Kevin , Martineau Marcus , Schoonjans Kristina , Marschall Hanns-Ulrich , Jones Peter , Williamson Catherine
Published: July 2020

Women with intrahepatic cholestasis of pregnancy (ICP), a disorder characterised by raised serum bile acids, are at increased risk of developing gestational diabetes mellitus and have impaired glucose tolerance whilst cholestatic. FXR and TGR5 are modulators of glucose metabolism, and FXR activity is reduced in normal pregnancy, and further in ICP. We aimed to investigate the role of raised serum bile acids, FXR and TGR5 in gestational glucose metabolism using mouse models. Cholic acid feeding resulted in reduced pancreatic β-cell proliferation and increased apoptosis in pregnancy, without altering insulin sensitivity, suggesting that raised bile acids affect β-cell mass but are insufficient to impair glucose tolerance. Conversely, pregnant Fxr−/− and Tgr5−/− mice are glucose intolerant and have reduced insulin secretion in response to glucose challenge, and Fxr−/− mice are also insulin resistant. Furthermore, fecal bile acids are reduced in pregnant Fxr−/− mice. Lithocholic acid and deoxycholic acid, the principal ligands for TGR5, are decreased in particular. Therefore, we propose that raised serum bile acids and reduced FXR and TGR5 activity contribute to the altered glucose metabolism observed in ICP.
Whole genome re-sequencing reveals recent signatures of selection in three strains of farmed Nile tilapia (Oreochromis niloticus)
Authors: Cádiz María I. , López María E. , Díaz-Domínguez Diego , Cáceres Giovanna , Yoshida Grazyella M. , Gomez-Uchida Daniel , Yáñez José M.
Published: July 2020

Nile tilapia belongs to the second most cultivated group of fish in the world, mainly because of its favorable characteristics for production. Genetic improvement programs and domestication process of Nile tilapia may have modified the genome through selective pressure, leaving signals that can be detected at the molecular level. In this work, signatures of selection were identified using genome-wide SNP data, by two haplotype-based (iHSandRsb) and oneFSTbased method. Whole-genome re-sequencing of 326 individuals from three strains (A, B and C) of farmed tilapia maintained in Brazil and Costa Rica was carried out using Illumina HiSeq 2500 technology. After applying conventional SNP-calling and quality-control filters, ~ 1.3 M high-quality SNPs were inferred and used as input for theiHS,RsbandFSTbased methods. We detected several candidate genes putatively subjected to selection in each strain. A considerable number of these genes are associated with growth (e.g.NCAPG, KLF3, TBC1D1, TTN), early development (e.g.FGFR3, PFKFB3), and immunity traits (e.g.NLRC3,PIGR,MAP1S). These candidate genes represent putative genomic landmarks that could be associated to traits of biological and commercial interest in farmed Nile tilapia.
Examination of intestinal ultrastructure, bowel wall apoptosis and tight junctions in the early phase of sepsis
Authors: Obermüller Beate , Frisina Noemi , Meischel Martin , Singer Georg , Stanzl-Tschegg Stefanie , Lichtenegger Helga , Kolb Dagmar , Klymiuk Ingeborg , Till Holger , Castellani Christoph
Published: July 2020

Gut hyperpermeability can be caused by either apoptosis of the intestinal epithelium or altered status, permeability or porosity of tight junctions. This project aims to elucidate these mechanisms in the early phase of sepsis. Eighteen male wild type mice were randomized to two groups. All mice received one single gavage of fluorescein isothiocyanate (FITC) dextran 30 min before intervention. One group (n = 10) underwent cecal ligation and puncture to induce sepsis. The other group (n = 8) was sham operated. Septic animals exhibited significantly increased permeability for FITC 8 h post-operatively. Significantly increased serum interleukin-6, tumor-necrosis-factor-alpha and interleukin-1-beta confirmed sepsis. Septic animals showed significant bowel wall inflammation of ileum and colon samples. PCR revealed significantly increased expression of claudin-2 and decreased expressions of claudin-4, tight-junction-protein-1 and occludin-1 resembling increased permeability of tight junctions. However, these alterations could not be confirmed at the protein level. Light microscopy revealed significant dilatation of intercellular spaces at the basal sections of intestinal epithelial cells (IEC) in septic animals confirmed by increased intercellular spaces at the level of tight junctions and adherens junctions in electron microscopy (TEM). In small angle X-ray scattering no increase in number or size of nanopores could be shown in the bowel wall. HOECHST staining and PCR of ileum samples for apoptosis markers proofed no relevant differences in intestinal epithelial cell apoptosis between the groups. Intestinal hyperpermeability in septic animals was most likely caused by alterations of the intercellular contacts and not by apoptosis or increased size/number of nanopores of intestinal epithelial cells in this murine model of early sepsis.
Scarce and directly beneficial reputations support cooperation
Authors: Samu Flóra , Számadó Szabolcs , Takács Károly
Published: July 2020

A human solution to the problem of cooperation is the maintenance of informal reputation hierarchies. Reputational information contributes to cooperation by providing guidelines about previous group-beneficial or free-rider behaviour in social dilemma interactions. How reputation information could be credible, however, remains a puzzle. We test two potential safeguards to ensure credibility: (i) reputation is a scarce resource and (ii) it is not earned for direct benefits. We test these solutions in a laboratory experiment in which participants played two-person Prisoner’s Dilemma games without partner selection, could observe some other interactions, and could communicate reputational information about possible opponents to each other. Reputational information clearly influenced cooperation decisions. Although cooperation was not sustained at a high level in any of the conditions, the possibility of exchanging third-party information was able to temporarily increase the level of strategic cooperation when reputation was a scarce resource and reputational scores were directly translated into monetary benefits. We found that competition for monetary rewards or unrestricted non-monetary reputational rewards helped the reputation system to be informative. Finally, we found that high reputational scores are reinforced further as they are rewarded with positive messages, and positive gossip was leading to higher reputations.
Measurement of optical reflection and temperature changes after blood occlusion using a wearable device
Authors: Gu Jian , Tomioka Yoko , Kida Koichi , Xiao Yingyi , Saito Itsuro , Okazaki Mutsumi , Someya Takao , Sekino Masaki
Published: July 2020

Early detection of compromised circulation is essential for postoperative monitoring of free flap. Hourly clinical check-ups such as inspection and palpation still result in a delay in detection. Conversely, optical reflection and temperature measurement are useful alternatives for detecting blood circulation. However, conventional methods that verify ischemia and congestion within a short period have not been reported. In this study, we measured short-term changes in optical reflection and temperature in a rat flap using a wearable flexible sensor probe previously developed in our laboratory. Five ischemia and five congestion groin flap models were measured using a sensor probe and reference devices. Curve fitting was performed on transition signals to evaluate changes in signals and their time constants. The optical reflection signal decreased after venous ligation and increased after arterial ligation. The parameters of the fitted curves indicate a significant difference between congestion and ischemia at p < 0.01 (probability value), which was detected within a few minutes after ligation. However, insufficient significance was observed in the temperature signal. Our method gives supporting information to verify ischemia and congestion, and has the potential to rapidly detect compromised circulation.
Bacteroides thetaiotaomicron and Lactobacillus johnsonii modulate intestinal inflammation and eliminate fungi via enzymatic hydrolysis of the fungal cell wall
Authors: Charlet Rogatien , Bortolus Clovis , Sendid Boualem , Jawhara Samir
Published: July 2020

Alterations to the gut microbiota can cause an amplification of the inflammatory response to intestinal pathogens. We assessed the effect of Bacteroides thetaiotaomicron and Lactobacillus johnsonii on the elimination of Candida species and whether restoration of these two anaerobic bacteria could attenuate the development of colitis in mice. In this study, L. johnsonii and B. thetaiotaomicron interacted directly with Candida species and induced a degradation of the fungal cell wall, mediated via chitinase-like and mannosidase-like activities, which promoted the inhibition of Candida species growth. In the DSS-induced colitis model, oral administration of L. johnsonii and B. thetaiotaomicron to mice reduced the overgrowth of Escherichia coli, Enterococcus faecalis and Candida glabrata populations and resulted in a significant reduction in inflammatory parameters. L. johnsonii and B. thetaiotaomicron decreased pro-inflammatory mediators and enhanced the anti-inflammatory cytokine response with high TLR9 expression and chitinase-like protein-1 activation, which promoted the elimination of C. glabrata from the gut. Overall, these findings provide evidence that L. johnsonii and B. thetaiotaomicron decrease the development of colitis mediated by TLR9 and promote the elimination of C. glabrata from the gut via chitinase-like and mannosidase-like activities.
MLPA and DNA index improve the molecular diagnosis of childhood B-cell acute lymphoblastic leukemia
Authors: Yu Chih-Hsiang , Lin Tze-Kang , Jou Shiann-Tarng , Lin Chien-Yu , Lin Kai-Hsin , Lu Meng-Yao , Chen Shu-Huey , Cheng Chao-Neng , Wu Kang-Hsi , Wang Shih-Chung , Chang Hsiu-Hao , Li Meng-Ju , Ni Yu-Ling , Su Yi-Ning , Lin Dong-Tsamn , Chen Hsuan-Yu , Harrison Christine J. , Hung Chia-Cheng , Lin Shu-Wha , Yang Yung-Li
Published: July 2020

Aneuploidy occurs within a significant proportion of childhood B-cell acute lymphoblastic leukemia (B-ALL). Some copy number variations (CNV), associated with novel subtypes of childhood B-ALL, have prognostic significance. A total of 233 childhood B-ALL patients were enrolled into this study. Focal copy number alterations of ERG, IKZF1, PAX5, ETV6, RB1, BTG1, EBF1, CDKN2A/2B, and the Xp22.33/Yp11.31 region were assessed by Multiplex Ligation-dependent Probe Amplification (MLPA). The MLPA telomere kit was used to identify aneuploidy through detection of whole chromosome loss or gain. We carried out these procedures alongside measurement of DNA index in order to identify, aneuploidy status in our cohort. MLPA telomere data and DNA index correlated well with aneuploidy status at higher sensitivity than cytogenetic analysis. Three masked hypodiploid patients, undetected by cytogenetics, and their associated copy number neutral loss of heterozygosity (CN-LOH) were identified by STR and SNP arrays. Rearrangements of TCF3, located to 19p, were frequently associated with 19p deletions. Other genetic alterations including iAMP21, IKZF1 deletions, ERG deletions, PAX5AMP, which have clinical significance or are associated with novel subtypes of ALL, were identified. In conclusion, appropriate application of MLPA aids the identifications of CNV and aneuploidy in childhood B-ALL.
Novel electronic properties of monoclinic MP4 (M = Cr, Mo, W) compounds with or without topological nodal line
Authors: Khan Muhammad Rizwan , Bu Kun , Chai Jun-Shuai , Wang Jian-Tao
Published: July 2020

Transition metal phosphides hold novel metallic, semimetallic, and semiconducting behaviors. Here we report by ab initio calculations a systematical study on the structural and electronic properties of $$\hbox {MP}_4$$MP4 (M = Cr, Mo, W) phosphides in monoclinic C2/c ($$C_{2h}^6$$C2h6) symmetry. Their dynamical stabilities have been confirmed by phonon modes calculations. Detailed analysis of the electronic band structures and density of states reveal that $$\hbox {CrP}_4$$CrP4 is a semiconductor with an indirect band gap of 0.47 eV in association with the p orbital of P atoms, while $$\hbox {MoP}_4$$MoP4 is a Dirac semimetal with an isolated nodal point at the $$\Gamma$$Γ point and $$\hbox {WP}_4$$WP4 is a topological nodal line semimetal with a closed nodal ring inside the first Brillouin zone relative to the d orbital of Mo and W atoms, respectively. Comparison of the phosphides with group VB, VIB and VIIB transition metals shows a trend of change from metallic to semiconducting behavior from $$\hbox {VB-MP}_4$$VB-MP4 to VIIB-$$\hbox {MP}_4$$MP4 compounds. These results provide a systematical understandings on the distinct electronic properties of these compounds.
Peristaltic channel flow and heat transfer of Carreau magneto hybrid nanofluid in the presence of homogeneous/heterogeneous reactions
Authors: Bibi Aneela , Xu Hang
Published: July 2020

The purpose of present work is to explore the features of homogeneous–heterogeneous reactions in peristalsis flow of Carreau magneto hybrid nanofluid with copper and silver nanoparticles in a symmetric channel. The velocity slip condition and thermal radiation effect is also taken in the simplified model. Thermodynamic optimization aspect is discussed through the entropy generation analysis. The proposed mathematical systems are modified by using a lubrication approach and solved by a homotopy-based package-BVPh 2.0. The impacts of different involved parameters on flow characteristics, thermal characteristics, chemically reactive concentration and entropy generation are scrutinized through analytic results. It reveals that the fluid velocity decreases with the increasing values of the Weissenberg and the Hartman numbers. Characteristics of the Brinkman and the thermal radiation numbers are quite reverse for the heat transfer rate. In addition, entropy generation decreases with thermal radiation and Weissenberg number. The main outcome signifies that hybrid nanofluid is better thermal conductor as compared to the conventional nanofluid.
A versatile 4D capacitive imaging array: a touchless skin and an obstacle-avoidance sensor for robotic applications
Authors: Ma Gege , Soleimani Manuchehr
Published: July 2020

There are growing interests in the use of robots in collaborative environments with humans or other intelligent machines. Sensing the environment for which the robot is operating can be done in many ways, generally guided by skin-like sensors. Some of the skins are inspired by natural sensing in humans or other species. As humans, we use many of our senses, such as version, hearing, smell, and touch, to move around by avoiding colliding with other humans or objects. Different from humans, many other mammals also use whiskers as an additional sensor to help navigate around. In this paper, we demonstrate a touchless capacitive imaging-based sensor in the situation where the obstacles are in close vicinity to the robot. The proposed imaging system can sense the changes in areas near to the skin-like sensors by measuring the capacitances between the array of electrodes. A 4D sensing approach has been developed with the spatiotemporal Total Variation algorithm. The 4D operational mode gives sensors the time awareness that allows for dynamical responses and hence the better control of the robots. Several experiments are conducted to show the skin-like behaviour of this sensor by simulating various scenarios. The sensor shows the excellent ability to detect an object in its vicinity, where the depth is close to half of the planar sensor array size.
Competitiveness and individual characteristics: a double-blind placebo-controlled study using oxytocin
Authors: Kurokawa Hirofumi , Kinari Yusuke , Okudaira Hiroko , Tsubouchi Kiyotaka , Sai Yoshimichi , Kikuchi Mitsuru , Higashida Haruhiro , Ohtake Fumio
Published: July 2020

Oxytocin-enhanced prosocial behaviour depends on individual characteristics. This study investigated the relationship between oxytocin and competitiveness, which is another important social trait and predicts economic and social outcomes. In this double-blind, randomized, and placebo-controlled study of 192 male participants, we examined whether oxytocin moderates competitiveness and whether the effect of oxytocin on competitiveness is amplified in individuals with autistic traits. While our results show no relationship between oxytocin and competitiveness, we observed suggestive patterns: albeit not significantly, oxytocin reduced and enhanced competitiveness among participants without autistic traits and among their counterparts with autistic traits, respectively.
Hypochlorite-induced porcine model of peritoneal fibrosis through the activation of IL1β-CX3CL1-TGFβ1 signal axis
Authors: Hsu Yu-Ting , Wu Ching-Ho , Chao Chun-Yuan , Wei Yu-Syuan , Chang Yen-Chen , Chen Yi-Ting , Lin Shuei-Liong , Tsai Su-Yi , Lee Ya-Jane , Tsai Pei-Shiue
Published: July 2020

Patients with kidney failure rely on life-saving peritoneal dialysis to facilitate waste exchange and maintain homeostasis of physical conditions. However, peritoneal dialysis often results in peritoneal fibrosis and organ adhesion that subsequently compromise the efficiency of peritoneal dialysis and normal functions of visceral organs. Despite rodent models provide clues on the pathogenesis of peritoneal fibrosis, no current large animal model which shares high degree of physiological and anatomical similarities to human is available, limiting their applications on the evaluation of pre-clinical therapeutic efficacy. Here we established for the first time, hypochlorite-induced porcine model of peritoneal fibrosis in 5-week-old piglets. We showed that administration 15–30 mM hypochlorite, a dose- and time-dependent severity of peritoneal fibrosis characterized by mesothelium fragmentation, αSMA+ myofibroblasts accumulation, organ surface thickening and type I collagen deposition were observed. We also demonstrated in vitro using human mesothelial cells that hypochlorite-induced fibrosis was likely due to necrosis, but not programmed apoptosis; besides, overexpression of IL1β, CX3CL1 and TGFβ on the peritoneal mesothelium in current model was detected, similar to observations from peritoneal dialysis-induced peritoneal fibrosis in human patients and earlier reported mouse model. Moreover, our novel antemortem evaluation using laparoscopy provided instant feedback on the progression of organ fibrosis/adhesion which allows immediate adjustments on treatment protocols and strategies in alive individuals that can not and never be performed in other animal models.
Synthesis of 2-deoxy-d-glucose coated Fe3O4 nanoparticles for application in targeted delivery of the Pt(iv) prodrug of cisplatin – a novel approach in chemotherapy
Authors: Sharma K. Shitaljit , Dubey Akhil K. , Koijam Arunkumar S. , Kumar Chandan , Ballal Anand , Mukherjee Sudip , Phadnis Prasad P. , Vatsa Rajesh K.
Published: July 2020

Pt(IV) prodrug of cisplatin was loaded on 2DG functionalized silica coated Fe3O4 nanoparticles. The formulation alone exhibited biocompatibility whereas Pt(IV) loaded formulation exhibited cytotoxicity comparable with cisplatin.
Mechanochemical synthesis of cobalt/copper fluorophosphate generates a multifunctional electrocatalyst
Authors: Lemoine Kévin , Inaguma Yoshiyuki , Heidary Nina , Kornienko Nikolay
Published: July 2020

A mechanochemical synthesis was developed to generate a highly active electrocatalyst featuring catalytic cobalt sites embedded within an electron-withdrawing fluorophosphate host.
Selective and high yield transformation of glycerol to lactic acid using NNN pincer ruthenium catalysts
Authors: Dutta Moumita , Das Kanu , Prathapa Siriyara Jagannatha , Srivastava Hemant Kumar , Kumar Akshai
Published: July 2020

A sterically less hindered 2,6-bis(benzimidazol-2-yl)pyridine based pincer–ruthenium complex has been used here to accomplish the catalytic conversion of glycerol selectively to lactic acid in high yield.
O–I–O halogen bond of halonium ions
Authors: Lindblad Sofia , Németh Flóra Boróka , Földes Tamás , Vanderkooy Alan , Pápai Imre , Erdélyi Máté
Published: July 2020

The stabilization of halonium ions in a three-center, four-electron halogen bond with two oxygen donor ligands is reported.
Enantioselective zinc-mediated conjugate alkynylation of saccharin-derived 1-aza-butadienes
Authors: Blay Gonzalo , Castilla Alvaro , Sanz David , Sanz-Marco Amparo , Vila Carlos , Muñoz M. Carmen , Pedro José R.
Published: July 2020

Diethylzinc and a bis(hydroxyl)malonamide ligand allow the first conjugate alkynylation of α,β-unsaturated imines. Excellent enatioselectivities are obtained with aliphatic alkynes.
Synthesis and characterization of high-purity SnO2(ZnO:Sn)m superlattice nanowire arrays with broad-spectrum emissions
Authors: Tan Jianing , Jiang Song , Ge Binghui , Xu Bojia , Cao Baobao
Published: July 2020

High purity SnO2(ZnO:Sn)m nanowire arrays growth has been realized for the first time since it was discovered in 2012, displaying an interesting white light emission in the range of around 380–570 nm though having major structural frame of ZnO.
Hydrogen bonding-tuned hydroxo-bridged tetra-copper Cu4(bipy)4-cluster supramolecular network to layered coordination polymer
Authors: Zhang Jian , Chen Yang-Yang , Tan Chunhong , Ma Xiao , Wang Xiao-Feng , Ou Guangchuan
Published: July 2020

Hydrogen bonds influence the transformation of the Cu4-cluster⋯ligand hydrogen net to the layered coordination polymer.
On the mechanism of predominant urea formation from thermal degradation of CO2-loaded aqueous ethylenediamine
Authors: Yoon Bohak , Hwang Gyeong S.
Published: July 2020

Urea formation is kinetically more favorable than IZD formation from thermal degradation of aqueous EDA during the CO2 capture process.
Emergent multiferroicity and strain-driven metal–semiconductor transitions in LaMnO3/RMnO3superlattices (R = Pr, Pm, Sm and Gd)
Authors: Zhou Pengxia , Wang Jiamin , Liu Hengchang , Zhao Lichang , Yang Qu , Zhong Chonggui , Zhao Zhiyun , Qu Lihua , Dong Zhengchao
Published: July 2020

It is known that rare-earth manganites LnMnO3with Ln = La to Gd are typical Mott insulators favoring the A-type antiferromagnetic (A-AFM) state.
Theoretically designed two-dimensional γ-C4O as an effective gas separation membrane for hydrogen purification
Authors: Ning Cai , Zhang Yadong , Wang Jing , Gao Haiqi , Xiao Chuanyun , Meng Zhaoshun , Dong Huilong
Published: July 2020

γ-C4O is theoretically designed based on the structure of γ-graphyne, and is highly promising for hydrogen purification from a H2/CH4mixture.
Influence of local microenvironment on the double hydrogen transfer in porphycene
Authors: Kasprzycki Piotr , Kopycki Przemysław , Listkowski Arkadiusz , Gorski Aleksander , Radzewicz Czesław , Birch David J. S. , Waluk Jacek , Fita Piotr
Published: July 2020

Time-resolved studies of the double hydrogen transfer in porphycene indicate strong coupling of the reaction to the dynamics of the local microenvironment.
Molecular dynamics simulation insight into the temperature dependence and healing mechanism of an intrinsic self-healing polyurethane elastomer
Authors: Chen Xianling , Zhu Jing , Luo Yanlong , Chen Jun , Ma Xiaofeng , Bukhvalov Danil , Liu Haobei , Zhang Meng , Luo Zhenyang
Published: July 2020

The changes in the type and number of hydrogen bonds as well as the microscopic behavior of molecular diffusion in the self-healing process of polyurethane are revealed.
An unsaturated amido-substituted six-vertex germanium cluster and its reactions with alkenes and alkynes
Authors: Helmer Joschua , Hepp Alexander , Lips Felicitas
Published: July 2020

Starting from the germylene {N(SiMe3)Dipp}GeCl·DMAP1the unsaturated germanium cluster Ge6{N(SiMe3)Dipp}42was obtained. This cluster reacts as a masked digermyne in cycloadditions with ethylene, diphenylacetylene and 2,3-dimethyl-1,3-butadiene.
Ionic cross-linked polyvinyl alcohol tunes vitrification and cold-crystallization of sugar alcohol for long-term thermal energy storage
Authors: Yazdani Maryam Roza , Etula Jarkko , Zimmerman Julie Beth , Seppälä Ari
Published: July 2020

Glass-transition and cold-crystallization of a sugar alcohol phase change material dispersed within ionic citrate cross-linked polyvinyl alcohol enable long-term heat storage.
A multi-electrode glow discharge ionization source for atomic and molecular mass spectrometry
Authors: Hoegg Edward D. , Williams Tyler J. , Bills Jacob R. , Marcus R. Kenneth , Koppenaal David W.
Published: July 2020

A novel multi-electrode glow discharge provides increased sensitivity and analytical flexibility for both atomic and molecular MS determinations.
Formation of metal-radical species upon reduction of late transition metal complexes with heteroleptic ligands: an experimental and theoretical study
Authors: Malček Michal , Kožíšková Júlia , Herich Peter , Rapta Peter , Stepanenko Iryna , Arion Vladimir B.
Published: July 2020

Three novel transition metal complexes with selenadiazoloquinolones as potential broad spectrum antibiotics in clinical praxis.
Molecular modelling of mebendazole polymorphs as a potential colchicine binding site inhibitor
Authors: Al-Karmalawy Ahmed A. , Khattab Muhammad
Published: July 2020

Form B of mebendazole is the form expected to bind more efficiently with the colchicine binding site within the tubulin protein.
Checked patterned elemental distribution in AlGaAs nanowire branches via vapor–liquid–solid growth
Authors: Boras Giorgos , Yu Xuezhe , Fonseka H. Aruni , Zhang Dong , Zeng Haotian , Sanchez Ana M. , Liu Huiyun
Published: July 2020

Ga-rich stripes parallel to the growth direction of AlGaAs nanowire branches intersect with a periodic arrangement of Ga-rich stripes perpendicular to them, leading to the realization of a checked pattern of compositional distribution.
Synergistic effects of heteroatom-decorated MXene catalysts for CO reduction reactions
Authors: Li Lei , Li Baihai , Guo Haoran , Li Yanle , Sun Chenghua , Tian Ziqi , Chen Liang
Published: July 2020

The as-designed heteroatom catalysts with steric hindrance efficiently improve the activity and selectivity of CO reduction into CH4.
Synthetic strategies in construction of organic macromolecular carrier–drug conjugates
Authors: Skwarecki Andrzej S. , Nowak Michał G. , Milewska Maria J.
Published: July 2020

The review presents synthetic aspects of carbon nanotube and dendrimer conjugation with drugs and other bioactive molecules.
Poly(ε-caprolactone) with pH and UCST responsiveness as a 5-fluorouracil carrier
Authors: Zhu Shuang , Wen Lianlei , Xiao Yan , Lang Meidong
Published: July 2020

Stimuli-responsive polymers with excellent biocompatibility and biodegradability are highly demanded as carriers for controlled drug delivery.
Amorphous mesostructured zirconia with high (hydro)thermal stability
Authors: Lebeau Bénédicte , Naboulsi Issam , Michelin Laure , Marichal Claire , Rigolet Séverinne , Carteret Cédric , Brunet Sylvette , Bonne Magali , Blin Jean-Luc
Published: July 2020

Amorphous mesostructured zirconia with high thermal stability and hydrothermal stability in boiling water has been obtained without addition of stabilizer.
Design of a molecular memory element with an alternating circular array of dipolar rotors and rotation suppressors
Authors: Miyazaki Takuya , Shoji Yoshiaki , Ishiwari Fumitaka , Kajitani Takashi , Fukushima Takanori
Published: July 2020

A hexaarylbenzene derivative with an alternating circular array of dipolar rotors and rotation suppressors holds promise as a new element for electric-field driven molecular memory.
Progress, highlights and perspectives on NiO in perovskite photovoltaics
Authors: Di Girolamo Diego , Di Giacomo Francesco , Matteocci Fabio , Marrani Andrea Giacomo , Dini Danilo , Abate Antonio
Published: July 2020

The power conversion efficiency of NiO based perovskite solar cells has recently hit a record 22.1%. Here, the main advances are reviewed and the role of NiO in the next breakthroughs is discussed.
Knitting aryl network polymers (KAPs)-embedded copper foam enables highly efficient thermal energy storage
Authors: Liu Changhui , Zong Jianhua , Zhang Jiahao , He Deqing , Guo Chenglong , Xu Ben , Rao Zhonghao
Published: July 2020

A highly efficient knitting aryl network polymers (KAPs)-embedded copper foam (CF)-based thermal energy storage material was synthesized by using PPh3 and benzene as monomers via a biomimetic synthesis protocol.
Structure-based enzyme engineering improves donor-substrate recognition of Arabidopsis thaliana glycosyltransferases
Authors: Akere Aishat , Chen Serena H. , Liu Xiaohan , Chen Yanger , Dantu Sarath Chandra , Pandini Alessandro , Bhowmik Debsindhu , Haider Shozeb
Published: July 2020

Glycosylation of secondary metabolites involves plant UDP-dependent glycosyltransferases (UGTs). UGTs have shown promise as catalysts in the synthesis of glycosides for medical treatment. However, limited understanding at the molecular level due to insufficient biochemical and structural information has hindered potential applications of most of these UGTs. In the absence of experimental crystal structures, we employed advanced molecular modeling and simulations in conjunction with biochemical characterization to design a workflow to study five Group H Arabidopsis thaliana (76E1, 76E2, 76E4, 76E5, 76D1) UGTs. Based on our rational structural manipulation and analysis, we identified key amino acids (P129 in 76D1; D374 in 76E2; K275 in 76E4), which when mutated improved donor substrate recognition than wildtype UGTs. Molecular dynamics simulations and deep learning analysis identified structural differences, which drive substrate preferences. The design of these UGTs with broader substrate specificity may play important role in biotechnological and industrial applications. These findings can also serve as basis to study other plant UGTs and thereby advancing UGT enzyme engineering.
Volatile and sensory characterization of white wines from three minority Portuguese grapevine varieties
Authors: Piras Simone , Brazão João , Ricardo-da-Silva Jorge M. , Anjos Ofélia , Caldeira Ilda
Published: July 2020

This work focused on the characterization of the volatile compounds and sensory profile of white wines produced from three minority grapevine varieties of Portugal namely ‘Malvasia’ (Colares), ‘Verdelho’ and ‘Galego Dourado’. The characterization took place using sensory and gas chromatography analysis. Furthermore, the data obtained were analysed through the use of multivariate analysis, which made it possible to evaluate the similarities and dissimilarities between the varieties. The results obtained show a differentiation of the wines produced from each grapevine variety but above all a differentiation of the two vintages was verified. The results obtained, both from a sensory and a chemical point of view, show an interesting oenological potential of these varieties, but still require further studies, in order to evaluate the influence of climatic effects on the profile of volatile compounds and also on the sensory profile.
Die Übersetzung und kulturelle Adaptation des Locomotor Capabilities Index-5 (LCI-5) ins Deutsche
Authors: Ranker Anna H. , Marquardt Jonas , Ranker Alexander , Schöttker-Königer Thomas
Published: July 2020

Hintergrund In Deutschland existiert bisher keine deutsche, validierte Version eines patientenbezogenen Messinstruments, das bei Personen mit Amputation der unteren Extremität spezifisch die Funktionsfähigkeit mit Prothese im Alltag erfasst. Der Locomotor Capabilities Index-5 (LCI-5) ist ein international verwendetes Messinstrument zur Erhebung dieses Konstruktes.

Ziel Die leitlinienkonforme Übersetzung und kulturelle Adaptation des Locomotor Capabilities Index-5 (LCI-5) in die deutsche Sprache.

Methode Der LCI-5 wurde anhand der ISPOR-Leitlinie zur Übersetzung und kulturellen Adaptation von patientenzentrierten Messinstrumenten in die Zielsprache Deutsch übersetzt. In diesem Kontext wurden zunächst zwei unabhängige Vorwärtsübersetzungen in die Zielsprache erstellt und verglichen. Es folgten zwei unabhängige Rückwärtsübersetzungen dieser Synthese durch Muttersprachler der Originalsprache (Englisch) mit einem anschließenden Review. Der daraus resultierende Fragebogen wurde in einer Pilottestung (N = 8) auf Sprach- und Verständnisprobleme sowie kulturelle Stimmigkeit überprüft und angepasst.

Ergebnisse Der LCI-5 wurde in die deutsche Version namens Locomotor-Capabilities-Index-5-D (LCI-5-D) übersetzt und kulturell adaptiert. Die Überprüfung des Fragebogens in der Pilottestung führte zu zwei Wortabänderungen.

Schlussfolgerung Eine autorisierte Version des LCI-5 konnte in die deutsche Sprache übersetzt werden (LCI-5-D). Die Gütekriterien dieser deutschen Version werden in einer darauf aufbauenden Validationsstudie untersucht.
Klug entscheiden – Perspektiven: Was sind die entscheidenden Ansätze (Key Questions) für die Zukunft?
Authors: Holstege Axel
Published: July 2020

Die Gastroenterologie bietet ein weites Feld für zukünftige „Klug-entscheiden-Empfehlungen“ (KEE), die nicht nur den gesicherten Einsatz diagnostischer Tests wie Laboruntersuchungen oder bildgebende Verfahren betreffen, sondern auch medikamentöse Therapien und die gastroenterologische Endoskopie. Dem zu häufigen Einsatz von Medikamenten wie Antibiotika und Protonenpumpenhemmern steht ihr zu seltener Einsatz bei gesicherten Indikationen gegenüber. Ähnliches trifft auf die abdominelle Bildgebung zu, insofern bei vielen Fragestellungen zu häufig der Computertomografie der Vorzug vor einer qualifizierten Sonografie gegeben wird. Laborwerte wie Lipase oder Amylase sind beim asymptomatischen Patienten nicht weiterführend und verursachen u. U. eine Vielzahl von unnötigen weiteren diagnostischen Maßnahmen. Bei akuter Pankreatitis bringt die Bestimmung beider Enzyme keinen additiven diagnostischen Nutzen. Ähnlich wenig hilfreich ist der unkritische Einsatz von weiteren für die Gastroenterologie relevanten Laborparametern wie CEA, Ammoniak oder Procalcitonin. In der Endoskopie ist eine „Vorsorgegastroskopie“ bei asymptomatischen Patienten ohne Risikofaktoren nicht sinnvoll, während die Koloskopie als Vorsorgeuntersuchung auf ein Kolonkarzinom zu selten von über 50-Jährigen wahrgenommen wird.

Die sich dramatisch entwickelnde Adipositaspandemie und der damit einhergehende massive Anstieg an fortgeschrittenen nichtalkoholischen Fettlebererkrankungen mit entsprechender Morbidität und Mortalität machen KEE erforderlich, die nicht nur Empfehlungen für den einzelnen Patienten geben, sondern auch Maßnahmen zur Regulierung des Verkaufs hochverarbeiteter Lebensmittel oder zuckerreicher Softdrinks darlegen. Auch zukünftig werden sich die „Key Questions“ für KEE in der Gastroenterologie aus der Erstellung von Leitlinien heraus ergeben. Dennoch sind auch KEE für Situationen im klinischen Alltag wünschenswert, für die es keine Leitlinienempfehlungen gibt. Durch interdisziplinären Expertenkonsens und Berücksichtigung vorhandener wissenschaftlicher Daten kann diesen KEE eine sichere Basis verschafft werden.
Effiziente Verwendung von Hornhauttransplantaten durch multimodales Spendergewebesplitting
Authors: Drozhzhyna Galyna , Gaidamaka Tetiana Borisovna , Cursiefen Claus , Bachmann Björn O. , Matthaei Mario , Siebelmann Sebastian , Ostashevsky Viktor , Ivanovska Olena V. , Kogan Boris M.
Published: July 2020

Hintergrund Die Knappheit an Hornhautspendergewebe in der Ukraine erfordert eine möglichst effiziente Nutzung der vorhandenen Transplantate. In diesem Kontext wird in der vorliegenden Arbeit eine Methode beschrieben, bei der mehrere Hornhauttransplantate mit geringerem Durchmesser aus einer einzelnen Spenderhornhaut gewonnen werden, um der Knappheit an Hornhauttransplantaten entgegenzuwirken („multimodales Spendergewebesplitting“).

Material und Methoden Die hier beschriebene Studie ist eine retrospektive Kohortenstudie aller durchgeführten Hornhauttransplantationen in der Abteilung für Hornhauterkrankungen des Staatsinstituts „Filatov Institut für Augenkrankheiten und Gewebetherapie der Nationalen Akademie der medizinischen Wissenschaften der Ukraine“, Odessa, Ukraine aus den Jahren 2016 und 2017. Bei dieser Methode der Transplantatpräparation wird das Spendertransplantat entweder über die gesamte Fläche oder lediglich partiell lamelliert, um 1 oder 2 lamelläre bzw. durchgreifende Transplantate zu erhalten. Diese Methode ermöglicht es, nicht nur runde Transplantate auszuschneiden, sondern auch Transplantate, die durch die Form des Hornhautdefekts vorgegeben werden.

Ergebnisse Von Januar 2016 bis Dezember 2017 wurden 324 Keratoplastiken unter Verwendung von 270 Transplantaten im o. g. Institut durchgeführt. In 54 Fällen (von denen 34 Notfallsituationen waren) wurde 1 Transplantat für 2 Patienten verwendet. Davon wurden 43 therapeutische Keratoplastiken und 11 periphere lamelläre Keratoplastiken aufgrund rezidivierender Pterygien Grad III – IV durchgeführt. In 2 Fällen wurden 2 Transplantate für einen Patienten aus einer Spenderhornhaut ausgeschnitten. Von 43 Patienten, die eine Keratoplastik mit kurativer Absicht erhielten, verbesserte sich die Sehschärfe in 28 Augen (65,1%) oder blieb in 15 Augen unverändert (34,9%). Die Sehschärfe nach der Operation hing vom Anfangszustand des Auges, der Lokalisation, der Tiefe und der Fläche des Hornhautdefektes ab. Bei peripherer Lokalisation von kornealen Ulzera, selbst beim Vorhandensein einer Perforation der Hornhaut, wurden gute funktionelle Ergebnisse erzielt.

Schlussfolgerung Die Gewinnung von 2 oder mehr Transplantaten aus einer einzelnen Spenderhornhaut für verschiedene Keratoplastiktypen verringert den Bedarf an Hornhauttransplantaten und folglich die Kosten für deren Konservierung. Insbesondere in Regionen mit starkem Spendermangel kann dadurch auch mehr Gewebe für Hornhauttransplantationen in Notfallsituationen vorgehalten werden.
Charakterisierung von ambulanten Notfallkontakten in einer interdisziplinären Notaufnahme
Authors: Kirchner Heribert , Sinani Gjergji , Ullrich Heiko , Pajonk Frank-Gerald B. , Juckel Georg
Published: July 2020

Ziel der Studie Das Wissen zu psychiatrischen Patienten in interdisziplinären Notaufnahmen ist bundesweit gering. Mit dieser Studie sollte eine Charakterisierung von ambulant verbliebenen psychiatrischen Notfallpatienten in einer interdisziplinären Zentralen Notaufnahme erfolgen.

Methodik Es wurde eine retrospektive Untersuchung aller ambulant verbliebenen psychiatrischen Notfallkontakte im Jahr 2015 durchgeführt.

Ergebnisse Die F4-Hauptdiagnose machte bei allen ambulant verbliebenen Erstvorstellungen 48,1 % der Diagnosen aus. Weibliche Patienten unter 25 Jahre nahmen die Zentrale Notaufnahme doppelt so häufig in Anspruch als ihre männliche Vergleichsgruppe. Ungefähr 50 % der Patienten erfüllten keinerlei Notfallkriterien.

Schlussfolgerung Das Inanspruchnahmeverhalten der untersuchten Patienten zeigte deutliche geschlechts- und altersspezifische Unterschiede. Überraschend hoch war der Anteil von Patienten ohne jegliches Notfallkriterium. Hier stellte sich die Frage, ob es ein Fehlinanspruchnahmeverhalten gab.
Ethik während der Coronakrise – Triagesysteme und deren ethische Problematik
Authors: Fischer Joachim
Published: July 2020

Die Medizin- und Pflegeethik wird während der Corona-Pandemie auf eine harte Probe gestellt. Die Berichte aus Italien und Frankreich deuten darauf hin, dass die Ärzte vor Fragen gestellt werden, die sie im Studium nie behandelt haben. Dazu gehört die Frage nach der Ressourcenverteilung bei sehr knappen Mitteln und somit die Frage nach der Triage.