bluuebunny/crossref_metadata_2025_split huggingface dataset:
Frailty, malnutrition, and the endocrine system impact outcome in patients undergoing aortic valve replacement
Authors: Al‐Kassou Baravan , Shamekhi Jasmin , Weber Marcel , Germeroth Jana , Gillrath Jana , Feldmann Katharina , Sedaghat Alexander , Werner Nikos , Treede Hendrik , Becher Marc Ulrich , Tiyerili Vedat , Grube Eberhard , Zimmer Sebastian , Nickenig Georg , Sinning Jan‐Malte 
Published: June 2021

AbstractBackgroundFrailty is a multidimensional syndrome that affects mortality after aortic valve replacement (AVR). Malnutrition is often associated with the development of frailty. However, data regarding the association of frailty with nutritional status and underlying endocrinological dysregulation in patients with severe aortic valve stenosis are limited.ObjectivesWe aimed to systematically screen for frailty and malnutrition, to evaluate for underlying endocrinological disorders and inflammation, and to assess the ability of these parameters to predict outcomes after AVR.MethodsOur study included 373 patients undergoing transcatheter and surgical AVR. Frailty was assessed using the Fried Frailty Phenotype (FFP), Essential Frailty Toolset, Lawton‐Brody, and Katz Index. Malnutrition was measured using the Mini Nutritional Assessment (MNA‐LF) and Controlling Nutritional Status. Outcomes of interest were 30‐day and one‐year mortality.ResultsThe prevalence of frailty ranged from 6.4% to 65.7% and malnutrition from 5.9% to 10.5%, depending on the evaluation tool. Both parameters were associated with higher levels of cortisol and parathormone as well as lower levels of IGF‐1, testosterone, DHEAS, and c‐reactive protein. Malnutrition was associated with increased 30‐day mortality, and both frailty and malnutrition with increased one‐year mortality. In a multivariate analysis, malnutrition measured by the MNA‐LF (OR: 2.32 [95%CI: 1.19–4.53], p = 0.01) and frailty as assessed by the FFP (OR: 1.42 [95%CI: 1.02–1.96], p = 0.03) were independent predictors of one‐year mortality.ConclusionThe prevalence of frailty and malnutrition varies significantly depending on the assessment tool. Both syndromes share common endocrinological alterations. Frailty and malnutrition are independent risk factors for mortality after AVR.
Cochlear reimplantation from mid‐scala to lateral wall electrode array: Surgical and hearing outcome
Authors: Lyutenski Stefan , Zellhuber Nina , Helbig Ralf , James Paul , Bloching Marc 
Published: June 2021

AbstractA mid‐scala cochlear implant electrode array, which was inserted with an atraumatic round window approach, could be replaced with longer lateral wall electrode array. Deeper electrode insertion seems to have beneficial influence on the hearing quality.
Photoredox Catalysis Using Heterogenized Iridium Complexes**
Authors: Materna Kelly L. , Hammarström Leif 
Published: June 2021

AbstractHeterogenized photoredox catalysts provide a path for sustainable chemical synthesis using highly tunable, reusable constructs. Here, heterogenized iridium complexes as photoredox catalysts were assembled via covalent attachment to metal oxide surfaces (ITO, ZrO2, Al2O3) in thin film or nanopowder constructs. The goal was to understand which materials provided the most promising constructs for catalysis. To do this, reductive dehalogenation of bromoacetophenone to acetophenone was studied as a test reaction for system optimization. All catalyst constructs produced acetophenone with high conversions and yields with the fastest reactions complete in fifteen minutes using Al2O3 supports. The nanopowder catalysts resulted in faster and more efficient catalysis, while the thin film catalysts were more robust and easily reused. Importantly, the thin film constructs show promise for future photoelectrochemical and electrochemical photoredox setups. Finally, all catalysts were reusable 2–3 times, performing at least 1000 turnovers (Al2O3), demonstrating that heterogenized catalysts are a sustainable catalyst alternative.
In Silico Characterization of Masitinib Interaction with SARS‐CoV‐2 Main Protease
Authors: Martínez‐Ortega Ulises , Figueroa‐Figueroa Diego I. , Hernández‐Luis Francisco , Aguayo‐Ortiz Rodrigo 
Published: June 2021

AbstractSevere acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) infection continues to be a global health problem. Despite the current implementation of COVID‐19 vaccination schedules, identifying effective antiviral drug treatments for this disease continues to be a priority. A recent study showed that masitinib (MST), a tyrosine kinase inhibitor, blocks the proteolytic activity of SARS‐CoV‐2 main protease (Mpro). Although MST is a potential candidate for COVID‐19 treatment, a comprehensive analysis of its interaction with Mpro has not been done. In this work, we performed molecular dynamics simulations of the MST‐Mpro complex crystal structure. The effect of the protonation states of Mpro H163 residue and MST titratable groups were studied. Furthermore, we identified the MST substituents and Mpro mutations that affect the stability of the complex. Our results provide valuable insights into the design of new MST analogs as potential treatments for COVID‐19.
The Drude‐Smith Equation and Related Equations for the Frequency‐Dependent Electrical Conductivity of Materials: Insight from a Memory Function Formalism
Authors: Chen Wei‐Chen , Marcus Rudolph A. 
Published: June 2021

AbstractThe Drude‐Smith equation is widely used for treating the frequency‐dependent electrical conductivity of materials in the terahertz region. An attractive feature is its sparsity of adjustable parameters. A significant improvement over Drude theory for these materials, the theory includes backscattering of the charge carriers. It has nevertheless been criticized, including by Smith himself, because of the arbitrariness of a step in the derivation. We recall a somewhat similar behavior of back scattering in fluids observed in molecular dynamics computations and discussed in terms of memory functions. We show how theories such as Drude‐Smith and Cocker et al. are examples of a broader class of theories by showing how they also arise as particular cases of a memory function formalism that divides the interactions into short and long range.
Molecularly Functionalized Electrodes for Efficient Electrochemical Water Remediation
Authors: He Xiang , Eberhart Michael S. , Martinson Alex B. F. , Tiede David M. , Mulfort Karen L. 
Published: June 2021

AbstractThe development and investigation of materials that leverage unique interfacial effects on electronic structure and redox chemistry are likely to play an outstanding role in advanced technologies for wastewater treatment. Here, the use of surface functionalization of metal oxides with a RuIIpoly(pyridyl) complex was reported as a way to create hybrid assemblies with optimized electrochemical performance for water remediation, superior to those that could be achieved with the molecular catalyst or metal‐oxide electrodes used individually. Mechanistic analysis demonstrated that the molecularly functionalized electrodes could suppress the formation of hydroxyl radicals (i. e., the dominant remediation pathway for bare metal‐oxide electrodes), allowing the water remediation to proceed through the highly oxidizing Ru3+ ions in the surface‐bound complexes. Furthermore, the underlying metal‐oxide substrates played a crucial role in altering the electronic structure and electrochemical properties of the surface‐bound catalyst, such that the competing side reaction (i. e., water splitting) was largely inhibited.
Repetitive Synthesis of High‐Molecular‐Weight Hyaluronic Acid with Immobilized Enzyme Cascades
Authors: Gottschalk Johannes , Aßmann Miriam , Kuballa Jürgen , Elling Lothar 
Published: June 2021

AbstractIndustrial hyaluronic acid (HA) production comprises either fermentation with Streptococcus strains or extraction from rooster combs. The hard‐to‐control product quality is an obstacle to these processes. Enzymatic syntheses of HA were developed to produce high‐molecular‐weight HA with low dispersity. To facilitate enzyme recovery and biocatalyst re‐use, here the immobilization of cascade enzymes onto magnetic beads was used for the synthesis of uridine‐5’‐diphosphate‐α‐d‐N‐acetyl‐glucosamine (UDP‐GlcNAc), UDP‐glucuronic acid (UDP‐GlcA), and HA. The combination of six enzymes in the UDP‐sugar cascades with integrated adenosine‐5'‐triphosphate‐regeneration reached yields between 60 and 100 % for 5 repetitive batches, proving the productivity. Immobilized HA synthase from Pasteurella multocida produced HA in repetitive batches for three days. Combining all seven immobilized enzymes in a one‐pot synthesis, HA production was demonstrated for three days with a HA concentration of up to 0.37 g L−1, an average MW of 2.7–3.6 MDa, and a dispersity of 1.02–1.03.
Consistent declines in aquatic biodiversity across diverse domains of life in rivers impacted by surface coal mining
Authors: Simonin Marie , Rocca Jennifer D. , Gerson Jacqueline R. , Moore Eric , Brooks Alexander C. , Czaplicki Lauren , Ross Matthew R. V. , Fierer Noah , Craine Joseph M. , Bernhardt Emily S. 
Published: June 2021

AbstractThe rivers of Appalachia (United States) are among the most biologically diverse freshwater ecosystems in the temperate zone and are home to numerous endemic aquatic organisms. Throughout the Central Appalachian ecoregion, extensive surface coal mines generate alkaline mine drainage that raises the pH, salinity, and trace element concentrations in downstream waters. Previous regional assessments have found significant declines in stream macroinvertebrate and fish communities after draining these mined areas. Here, we expand these assessments with a more comprehensive evaluation across a broad range of organisms (bacteria, algae, macroinvertebrates, all eukaryotes, and fish) using high‐throughput amplicon sequencing of environmental DNA (eDNA). We collected water samples from 93 streams in Central Appalachia (West Virginia, United States) spanning a gradient of mountaintop coal mining intensity and legacy to assess how this land use alters downstream water chemistry and affects aquatic biodiversity. For each group of organisms, we identified the sensitive and tolerant taxa along the gradient and calculated stream specific conductivity thresholds in which large synchronous declines in diversity were observed. Streams below mining operations had steep declines in diversity (−18 to −41%) and substantial shifts in community composition that were consistent across multiple taxonomic groups. Overall, large synchronous declines in bacterial, algal, and macroinvertebrate communities occurred even at low levels of mining impact at stream specific conductivity thresholds of 150–200 µS/cm that are substantially below the current U.S. Environmental Protection Agency aquatic life benchmark of 300 µS/cm for Central Appalachian streams. We show that extensive coal surface mining activities led to the extirpation of 40% of biodiversity from impacted rivers throughout the region and that current water quality criteria are likely not protective for many groups of aquatic organisms.
Extensive historical and contemporary hybridization suggests premating isolation in Vermivora warblers is not strong: A reply to Confer et al.
Authors: Toews David P. L. , Baiz Marcella D. , Kramer Gunnar R. , Lovette Irby J. , Streby Henry M. , Taylor Scott A. 
Published: June 2021

AbstractWe present comments on an article published by Confer et al. (Ecology and Evolution, 10, 2020). Confer et al. (2020) aggregate data from multiple studies of social pairing between Vermivora chrysoptera and V. cyanoptera, two wood warblers in the family Parulidae that hybridize extensively where they co‐occur. From analysis of these data, they conclude there is near‐complete reproductive isolation between these two species. In our reply, we show that this finding is not supported by other lines of evidence, and significant drawbacks of their study design preclude such strong conclusions. In our critique, we show that (a) coarse‐scale plumage classifications cannot be used to accurately estimate hybrid ancestry in Vermivora; (b) extra‐pair paternity is very high in Vermivora and is likely facilitating hybridization, yet was not considered by Confer et al. (2020), and we suggest this will have a substantial influence on the interpretation of reproductive isolation in the system; and (c) the central finding of strong total reproductive isolation is not compatible with the results of other long‐term studies, which demonstrate low isolation and high gene flow. We conclude with a more comprehensive interpretation of hybridization and reproductive isolation in Vermivora warblers.
The impacts of flowering phenology on the reproductive success of the narrow endemic Nouelia insignis Franch. (Asteraceae)
Authors: Liu FangYan , Gao ChengJie , Chen Min , Tang GuoYong , Sun Yongyu , Li Kun 
Published: June 2021

AbstractNouelia insignis Franch. (Asteraceae) is a short, narrow endemic and endangered tree, growing with a natural population in the dry and hot valley of the Jinsha River in the southwest area of China. In this work, flowering phenology (time and duration), floral biology, visit frequency and behavior of pollinators, and pollination characteristics were studied based on investigation in the field and analysis in the laboratory with the help of a stereomicroscope, and the relationship between seed setting rate and reproductive traits, as well as the relationship between flowering time and rainfall before flowering, was tested using the method of general linear regression model. The results showed that natural population of N. insignis exhibited high flowering synchrony with relatively stable flowering duration, and the flowering time fluctuated greatly depending on the rainfall 5 months before flowering. The pollination of N. insignis required pollinators, and insect activities played a very important role in the pollination process. However, lack of the pollinators was not a limitation for reproductive fitness in N. insignis, although the number of pollinators was small and the frequency of visits was low. In addition, no pollen limitation was found during pollination. The average seed setting rate of N. insignis in the natural condition was only 1.52%–3.73%, and it was generally affected by changes in flowering phenology between years and had a higher seed set in early flowering year. The annual variation of seed set might be related to the annual variations of stamen and pistil functions, such as changes of pollen viability and stigma receptivity, which were closely related to flowering time. The results of this study are of value for further conservation actions on natural population of this threatened endemic plant.
Levosimendan in venoarterial ECMO weaning. Rational and design of a randomized double blind multicentre trial
Authors: Ellouze Omar , Soudry Faure Agnès , Radhouani Mohamed , Abou‐Arab Osama , Besnier Emmanuel , Moussa Mouhamed , Cransac Amélie , Ksiazek Elea , Fischer Marc‐Olivier , Mertes Paul Michel , Bouhemad Belaid , Guinot Pierre Grégoire 
Published: June 2021

AbstractAimsVenoarterial extracorporeal membrane oxygenation (VA‐ECMO) is increasingly being used in circulatory failure. The main indications are cardiogenic shock, post‐cardiotomy cardiac failure, and refractory cardiac arrest. However, VA‐ECMO weaning is particularly challenging, and weaning failure is reported to be as high as 50%, with increased related mortality. Levosimendan is a novel long acting effect inodilator used in cardiogenic shock and terminal heart failure decompensation. Levosimendan use in VA‐ECMO patients seems to reduce weaning failure regardless of the initial aetiology and to reduce mortality when administrated early after VA‐ECMO initiation. However, studies are limited to retrospective analyses and reported case series. The aim of the WEANILEVO trial is to evaluate whether administration of levosimendan before VA‐ECMO weaning is associated with a reduced rates of weaning failure and recourse to other temporary circulatory support.Methods and resultsWEANILEVO is a randomized, prospective, multicentre, double‐blind, parallel‐group, controlled trial. One hundred eighty patients will be enrolled if they had acute circulatory heart failure treated with VA‐ECMO and for whom weaning is expected within 48 h. The study drugs are either levosimendan (0.2 μg/kg/min for 24 h) or a placebo. The primary endpoint of the trial is the absence of VA‐ECMO weaning, recourse to another VA‐ECMO, or other temporary circulatory assistance or death within 7 days of VA‐ECMO weaning.ConclusionsLevosimendan use in VA‐ECMO appears to be beneficial for reducing weaning failure and mortality. The results of WEANILEVO should significantly influence decisions regarding the use of levosimendan for VA‐ECMO weaning.
Comparison of in‐hospital outcomes of patients with vs. without ischaemic cardiomyopathy undergoing veno‐arterial‐extracorporeal membrane oxygenation
Authors: Seong Seok‐Woo , Jin Guiyue , Kim Mijoo , Ahn Kye Taek , Yang Jeong Hoon , Gwon Hyeon‐Cheol , Ko Young‐Guk , Yu Cheol Woong , Chun Woo Jung , Jang Woo Jin , Kim Hyun‐Joong , Bae Jang‐Whan , Kwon Sung Uk , Lee Hyun‐Jong , Lee Wang Soo , Park Sang‐Don , Cho Sung Soo , Ahn Joong Hyun , Song Pil Sang , Jeong Jin‐Ok 
Published: June 2021

AbstractAimsThis study aimed to investigate differences in baseline and treatment characteristics, and in‐hospital mortality according to the aetiologies of cardiogenic shock in patients undergoing veno‐arterial‐extracorporeal membrane oxygenation (VA‐ECMO).Methods and resultsThe RESCUE registry is a multicentre, observational cohort that includes 1247 patients with cardiogenic shock from 12 centres. A total of 496 patients requiring VA‐ECMO were finally selected, and the study population was stratified by cardiogenic shock aetiology [ischaemic cardiomyopathy (ICM, n = 342) and non‐ICM (NICM, n = 154)]. The primary outcome of interest was in‐hospital mortality. Sensitivity analyses including propensity‐score matching adjustments were performed. Mean age of the entire population was 61.8 ± 14.2, and 30.8% were women. There were significant differences in baseline characteristics; notable differences included the older age of patients with ICM (65.1 ± 13.7 vs. 58.2 ± 13.8, P < 0.001), preponderance of males [258 (75.4%) vs. 85 (55.2%), P < 0.001], and higher prevalence of diabetes mellitus [140 (40.9%) vs. 39 (25.3%), P = 0.001] compared with patients in the NICM aetiology group. Patients with ischaemic cardiogenic shock were more likely to have longer shock duration before VA‐ECMO implantation (518.7 ± 941.4 min vs. 292.4 ± 707.8 min, P = 0.003) and were less likely to undergo distal limb perfusion than those with NICM [108 (31.6%) vs. 79 (51.3%), P < 0.001]. In‐hospital mortality in the overall cohort was 52.2%; patients with ICM had a higher unadjusted risk of in‐hospital mortality [203 (59.4%) vs. 56 (36.4%); unadjusted hazard ratio, 2.295; 95% confidence interval, 1.698–3.100; P < 0.001]. There were no significant differences in the primary outcome between the two aetiologies following propensity‐score matching multiple adjustments (adjusted hazard ratio, 1.265; 95% confidence interval, 0.840–1.906; P = 0.260).ConclusionsResults of the current study indicated among patients with cardiogenic shock undergoing VA‐ECMO, ischaemic aetiology does not seem to impact in‐hospital mortality. These findings underline that early initiation and appropriate treatment strategies of VA‐ECMO for patients with ICM shock are required.
Mixed Multimetallic tris(2‐pyridylmethyl)amine Based Complexes: Synthesis and Chiroptical Properties
Authors: Carmo dos Santos Nadia Alessandra , Badetti Elena , Begato Federico , Wurst Klaus , Licini Giulia , Zonta Cristiano 
Published: June 2021

AbstractContinuous intensification of reaction screening methodologies has required the development of novel high‐throughput analytical technologies. This urge involves also chirality related fields where nowadays novel methods for reliable, fast and effective analysis are developed. Within this field, chiroptical spectroscopies have emerged as promising techniques, in particular when they are combined with stereodynamic probes for optical signal amplification. We report here the synthesis and characterisation of a series of molecular architectures based on a modified tris(2‐pyridylmethyl)amine (TPMA) complex which are able to amplify the electronic CD signal of phenylalanine. The study reports the synthesis of six novel TPMA based supramolecular architectures characterised by the presence of two different metals within the same molecule. Besides the synthesis, the study highlights how mixing metals influences the chiroptical properties of the formed compounds.
Automated Synthesis of Heavily Phosphorylated Peptides
Authors: Grunhaus Dana , Friedler Assaf , Hurevich Mattan 
Published: June 2021

AbstractMulti phosphorylated peptides are key tools in understanding the biological roles of protein phosphorylation patterns. In this work, we focused on multi phosphorylated peptides with over four, clustered, phosphorylation sites that are termed herein heavily phosphorylated peptides (HPPs). The synthesis of heavily phosphorylated peptides is extremely difficult and requires the use of a wide temperature range. Standard peptide synthesizers are incapable of both cooling and heating, which impedes the automated synthesis of those peptides. Herein, we used the oligosaccharide synthesizer Glyconeer 2.1 to develop a protocol for the automated synthesis of heavily phosphorylated peptides. The Glyconeer 2.1 is able to both cool and heat, which enabled the development of highly controlled coupling and deprotection conditions that were used for the automated synthesis of four different heavily phosphorylated peptides with five or more, clustered, phosphorylation sites. Our approach paves the way for an easy automated synthesis of a variety of heavily phosphorylated peptides.
The national divide: A social representations approach to US political identity
Authors: Hanson Kristin , O'Dwyer Emma , Lyons Evanthia 
Published: June 2021

AbstractExtending research on US ideological identity as a social identity, this study employs a social representations approach to capture identity meaning as a form of national attachment. Across two studies (n = 723), we demonstrate that two novel organizing principles of US ideological identity—national reverence(veneration of the nation in the abstract, its symbols, sacred texts, and founding fathers) andindividual support(a focus on the progress of individuals and the change required to bring about equality)—significantly predicted ideological self‐categorization, 2016 presidential voting, and affective political polarization over and above right‐wing authoritarianism and social dominance orientation. The results suggest an integration of national and conservative identities that places US national identity in opposition to liberal identity and to progress and equality, pointing to the divisive employment of national identity in the current political environment.