bluuebunny/crossref_metadata_2025_split huggingface dataset:
Frailty interferes with the guideline‐directed medical therapy in heart failure patients with reduced ejection fraction
Authors: Hamada Tomoyuki , Kubo Toru , Kawai Kazuya , Nakaoka Yoko , Yabe Toshikazu , Furuno Takashi , Yamada Eisuke , Kitaoka Hiroaki ,   Kochi YOSACOI study
Published: October 2022

AbstractAimsGuideline‐directed medical therapy (GDMT) in patients with heart failure with reduced ejection fraction (HFrEF) is recommended in clinical guidelines, but elderly patients have not fully received GDMT in the clinical situation. The aim of this study was to determine the clinical characteristics of patients who have not received GDMT and the association between implementation of GDMT at discharge and physical frailty in patients with HFrEF who were hospitalized for acute decompensated heart failure (ADHF).Methods and resultsThis study was a cross‐sectional study with a retrospective analysis of the Kochi YOSACOI study, a prospective multicentre observational study that enrolled 1061 patients hospitalized for ADHF from May 2017 to December 2019 in Japan. Of 339 patients (32.0%) with HFrEF, 268 patients who were assessed for physical frailty by the Japanese version of the Cardiovascular Health Study criteria were divided into two groups: those with GDMT (135 patients, 50.4%) and those without GDMT (133 patients, 49.6%). GDMT was defined as the prescription of a combination of renin‐angiotensin system (RAS) inhibitors (angiotensin‐converting inhibitors or angiotensin receptor blockers) and beta‐blockers. The median age of patients with HFrEF was 76 years (interquartile range, 67–83 years). Patients without GDMT were older than patients with GDMT (73 years vs. 78 years, P < 0.001). Patients without GDMT tended to have more prior HF admission than did patients with GDMT (P = 0.004), and patients without GDMT had lower levels of estimated glomerular filtration rate (P < 0.001) than those in patients with GDMT. Physical frailty was observed in 54.1% of the patients without GDMT and in 38.5% of the patients with GDMT (P = 0.014). Patients without GDMT had a higher rate of cognitive impairment than that in patients with GDMT (P = 0.009). RAS inhibitors only, beta‐blockers only, and both RAS inhibitors and beta‐blockers were less frequently prescribed in patients with physical frailty than in patients with physical non‐frailty (52.0% vs. 86.7%, P < 0.05; 70.1% vs. 100.0%, P < 0.05; 42.5% vs. 86.7%, P < 0.01, respectively). In logistic regression analysis, compared with physical non‐frailty, physical frailty was significantly associated with no implementation of GDMT (odds ratio: 6.900, 95% confidence interval: 1.420–33.600; P = 0.017), independent of older age and severe renal dysfunction.ConclusionsThe results of this study suggest that physical frailty is one of the factors that may withhold GDMT in patients with HFrEF.
An Electronic Structure Study of the Conversion from 1,2‐Diphenylacetylene to (E)‐1,2‐Diphenylethene Using a Bidentate Ru(II)−NC Catalyst
Authors: Esquivel Curichimba Jeyson , Haiduke Roberto Luiz Andrade 
Published: October 2022

AbstractThe {(C5H4N)(C6H4)}RuCl(CO)(PPh3)2catalyst has been shown to be highly efficient and selective for semi‐hydrogenation reactions with a wide range of internal alkynes containing electron‐withdrawing and electron‐donating groups to E‐alkenes. In this work, the reaction mechanism previously proposed by experimentalists to the formation of (E)‐1,2‐diphenylethene from 1,2‐diphenylacetylene (Organometallics,2020,39, 862) is evaluated by using the Density Functional Theory. Our calculations show the existence of four new intermediates to avoid steric hindrance issues and to explain the releasing of the (Z)‐1,2‐diphenylethene and (E)‐1,2‐diphenylethene products at the end of the first and second cycles, respectively. Besides, by using the energetic span model, the turnover frequency (TOF)‐determining transition state (TDTS) and intermediate (TDI) are found in the first cycle, providing an energetic span for the catalytic cycle of 16.8 kcal/mol at 383.15 K. This result assures that the reaction can really proceed by this mechanism.
Reppe‐Carbonylation of Alkenes with Carboxylic Acids: A Catalytic and Mechanistic Study
Authors: October Jacquin , Köhnke Katrin , Thanheuser Nico , Vorholt Andreas J. , Leitner Walter 
Published: October 2022

AbstractIn this work, a green‐catalytic procedure is used to demonstrate the synthesis of long‐chain anhydrides. This is accomplished by the carbonylation of alkenes with carboxylic acids. Anhydrides are important intermediates, finding specific applications as acetylation agents. The process is catalyzed by a Pd phosphine catalyst system in the presence of an acid promotor. Through optimization experiments, the importance of the phosphine ligand and acid promotor is demonstrated, without which the catalyst shows no activity. Although the yield was limited because of catalyst deactivation (42 %), to the best of our knowledge, the synthesis of long‐chain anhydrides through this route have not been reported previously. It therefore represents a significant result. Isolation of the anhydrides were also successfully demonstrated, however, as a result of the sensitivity of the anhydrides to water, the isolated yields were much lower than the HPLC yield. Furthermore, a mechanistic study by means of HP‐NMR (High Pressure Nuclear Magnetic Resonance) spectroscopy provided significant insights into the mechanism of the reaction.
Stereoselective Synthesis of 1,1’‐2‐Amino Thiodisaccharides by Organocatalysis
Authors: Nie Qin , Deng Lei , Tu Yuanhong , Liu Hui , Sun Jian‐Song , Wang Liming , Zhang Qingju 
Published: October 2022

AbstractIn this work, we report a new bifunctional organothiourea catalysis method for highly stereoselective synthesis of 1,1’‐2‐amino thiodisaccharides using 2‐nitroglycals as donors and glycosyl thiols as acceptors. The method features excellent stereoselectivity, high yields, mild reaction conditions and broad substrate scopes. In addition, the method was successfully applied on the synthesis of the thiolated 1,1’‐2,2’‐diamino disaccharide fragment of bioactive nature product tunicamycins.
Phosphine‐Catalyzed Acyl‐Group Exchange Reaction of Carboxylic Acids and an Aroyl Fluoride
Authors: Hattori Hiroyuki , Ishida Kento , Ogiwara Yohei , Sakai Norio 
Published: October 2022

AbstractAcyl fluorides show unique reactivity and stability, and the catalytic conversions using acyl fluorides as a divergent building block have recently attracted much attention and have been rapidly researched. Thus, a development of a new synthetic method of acyl fluorides is constantly demanded. Herein, we describe a phosphine‐catalyzed acyl‐group exchange reaction between carboxylic acids and an aroyl fluoride. A variety of acyl fluorides are directly obtained from carboxylic acids through a catalytic system composed of tricyclohexylphosphine (PCy3) and 2,6‐difluorobenzoyl fluoride. This report is the first example of utilizing an acyl fluoride as a deoxyfluorination reagent.
Vertical and rocking motions of a flexible strip foundation placed on a layered transversely isotropic poroelastic half‐space
Authors: Ai Zhi Yong , Ye Zi Kun 
Published: October 2022

AbstractAn analytical method for vertical and rocking motions of a flexible strip foundation on a layered transversely isotropic proelastic half‐space is presented in this paper. The dynamic soil‐structure interactions are simultaneously restricted by the boundary conditions for the underlying media and the flexible strip foundation. For the underlying media, the plain strain dynamic responses of the layered poroelastic half‐space are obtained by the extended precise integration method. For the strip foundation, the deflection due to the vertical motion and the rocking motion are obtained by analytically solving the dynamic equilibrium of the thin plate. Then, the mixed boundary conditions for the dynamic interactions are degenerated into a set of linear equations by assuming Bessel series expansions for the contact stress. The series solutions for these linear equations can be utilized to yield the compliance functions and the dynamic responses for the underlying media. Finally, a calculation program is compiled to verify the presented theory and discuss the effects of the stratifications, the dynamic permeability, and the foundation flexibility.
Rational design of h‐AlC monolayer as anode material for Mg‐ion battery: A DFT study
Authors: Shekh Nayana , Chodvadiya Darshil , Jha Prafulla K. 
Published: October 2022

AbstractIn the present work, we have analyzed the suitability of two‐dimensional (2D) h‐AlC as a high‐capacity anode material for Mg‐ion batteries (MIBs) by employing first principles‐based density functional theory (DFT). The structural parameters, electronic band structure, partial density of states (PDOS), theoretical storage capacity (TSC), diffusion energy barrier (DEB), open‐circuit voltage (OCV), and room temperature stability (from ab initio molecular dynamic (AIMD) simulations) are calculated and discussed. The band structure of h‐AlC monolayer remains metallic for all considered adsorption concentrations of Mg‐atoms which indicates its good electrical conductivity. A significant quantity of charge is transferred from Mg atom to h‐AlC during adsorption of the Mg atom due to its lower electronegativity compared with the Al and C atoms. The calculated TSC is 1221.75 mAh g−1 which is higher than many anode materials. For MIBs, calculated DEB and OCV are 1.21 and 0.73 V, respectively. However, transition from planar structure to buckled structure takes place during the adsorption of more than 9 Mg‐atoms over h‐AlC. The lattice change is negligible during adsorption of Mg atoms. The AIMD calculations revels that the 9 and 18 Mg atoms adsorbed h‐AlC is stable at T = 300 K. The aforementioned findings suggest that h‐AlC can be anode material for MIBs.
A new convergent science framework for food system sustainability in an uncertain climate
Authors: Sixt Gregory N. , Hauser Michael , Blackstone Nicole Tichenor , Engler Alejandra , Hatfield Jerry , Hendriks Sheryl L. , Ihouma Samuel , Madramootoo Chandra , Robins Renee J. , Smith Pete , Ziska Lewis H. , Webb Patrick 
Published: October 2022

AbstractThe complexity and interconnectivity of food systems and climate requires new thinking and research designs that better address the real‐world challenges of securing the resilience and sustainability of human and environmental systems. Central to such an approach is coherent action across sectors and scales. Although inter‐and transdisciplinary approaches are widely discussed, no convergence model exists to detect and prepare for food system vulnerabilities emerging from disruptions in climate systems, or to address the contributions to climate change from food system functions. Convergence research is critical to solving these vexing dynamics by integrating knowledge from multiple scientific domains to inform societal action. Here, we present a new convergent science model that incorporates four key components at the global, national and local level. Through the newly created Food and Climate Systems Transformation Alliance, we are now operationalizing, testing and refining the model to promote science convergence for tackling systemic vulnerabilities in the current food paradigm. Globally, funding relating to climate change and food systems transformation needs to pivot to support the levels of ambition, magnitude of need and complexity of challenges posed.
Sensitivitätsanalyse der unterschiedlichen Einflussfaktoren auf numerische Untersuchungen von Hangrutschungen
Authors: Schneider‐Muntau Barbara , Dai Xiaoru , Fellin Wolfgang 
Published: October 2022

AbstractCalculation approaches, shear strength approaches, material parameters and external influences have a significant impact on the results of slope stability analyses. This influence can be quantified as influence on the safety factor in sensitivity analyses. As expected, a lower shear strength of the soil or a higher groundwater flow through a slope lead to lower factors of safety. In the two case studies considered here, it is evident that the parameter with the highest sensitivity of the safety factor is not unique. This most influencing parameter depends on the boundary conditions and the geometry of the landslide. In addition to the safety factor, the above parameters also strongly influence the geometry of the failure mechanism. Here, for example, different permeability coefficients for stratified soil and the consideration of a nonlinear shear strength criterium show significant changes in the failure geometry. Therefore, the modelled failure geometry has to be considered in addition to an certain safety factor for the validation of a landslide modelling.
Projekt Pumpspeicherkraftwerk Limberg III – besondere Herausforderungen an die Logistik sowie die Vortriebssysteme einer Großbaustelle im Hochgebirge
Authors: Schorn Roland , Rieder Christian , Hager Andreas 
Published: October 2022

AbstractConstruction of the Verbund project Limberg III pumped storage power station is currently underway in the area of the Kaprun/Salzach power station group. Preliminary work started on 6 April 2021, the main construction work started on 7 January 2022 and the overall facility is scheduled to be commissioned the end of 2025. Kaprun has a long history in the construction of power stations. The Kaprun storage power stations in the 1950s were an outstanding engineering feat and is symbolic of the reconstruction efforts that took place in Austria in the wake of World War II. The power station facilities at the main and upper stage have been in existence since the 1950s and have since been continuously expanded. From 2006 to 2011 the all‐year‐round reservoirs Mooserboden and Wasserfallboden were extended to include the Limberg II pumped storage station. The group is currently expanding the Kaprun/Salzach power station group by building the Limberg III pumped storage station, for which the same design as Limberg II has been adopted for implementation purposes. In addition to the significant logistical challenges posed by the high mountain location of the construction site, this report also covers the tunnelling systems.
Neubau Bahnstromkraftwerk Obervellach II
Authors: Höss Christian , Binder Michael , Hofmann Michael , Zmölnig Martin , Reiter Franz 
Published: October 2022

AbstractIn the interests of climate protection, ÖBB Infrastruktur AG traditionally focuses on the sustainable use of hydro‐electric power for the generation of traction current for the railways. After about 100 years in service, the existing Obervellach I and Lassach power stations will be replaced by the more efficient new Obervellach II and Kaponig plants. With an increased output of 38 MW and a regular working capacity of 125 GWh per year, around 30,000 high speed journeys from Villach to Vienna will be possible.The challenges in the course of the submission, tender and project planning were the complexity of the project and its size. In particular, the hydraulic, geographical, geological and ecological conditions required cross‐disciplinary cooperation in all phases of the planning. Likewise, close coordination between the contractor and the local construction supervision took place and continues to take place in the course of the project.The vastness of the project area requires sophisticated logistics in its execution. The tunnelling work, in particular, was challenging due to the small cross‐section to be excavated and the tunnel length. A special feature is the use of a full‐round formwork carriage. During the work along the high pressure down pipe in impassable terrain, using a cableway for carrying material, the focus is on the parallel health and safety arrangements in the construction and equipment activities. The whole project is planned to be commissioned in March 2024.
Potenziale und Grenzen der Prognose von Injektionsparametern mittels Künstlicher Intelligenz – Ergebnisse einer Fallstudie bei einem Tunnelprojekt in Skandinavien
Authors: Thienert Christian , Ouschan † Michael , Wenighofer Robert , Könemann Frank , Klaproth Christoph , Gabriel Patrick , Villeneuve Marlene , Pechhacker Robert 
Published: October 2022

AbstractGreat importance is attached to ‘pressure‐volume records’ for the execution, documentation and billing of rock grouting. In this context, special digital data management systems are now available which can provide data in a structured and consistent format that is also suitable for artificial intelligence (AI) approaches. Using datasets from a tunnel project in Scandinavia, this paper shows that artificial neural networks can be used to reliably predict the evolution of pressure‐volume records or the volume of grout injected at the end in the interests of construction site efficiency. Taking into account the technical feasibility of using AI to support tunnel grouting, we then show which contractual modifications would be required in order to make effective use of corresponding developments.
Automated geological model updates during TBM operation – An approach based on probabilistic machine learning concepts
Authors: Wellmann Florian , Amann Florian , de la Varga Miguel , Chudalla Nils 
Published: October 2022

AbstractGeological models are commonly used to predict the position of relevant geological features, such as rock types or faults in the subsurface. These models can contain significant uncertainties, as the geological input parameters are often not perfectly known. Predictions of geological features, for example, on the level of a tunnel during an excavation process, are therefore uncertain. This work shows how these uncertainties can be estimated using probabilistic concepts. Furthermore, an approach is presented to automatically adjust the geological model predictions using measurements of the tunnel boring machine (TBM) operation. To this aim, the geological forward model is combined with a measurement model and both are integrated in a probabilistic machine learning framework. This integration enables a Bayesian inference process using computational methods, enabling an update of the parameters of the geological and measurement models. Based on the inferred parameter distributions, the model predictions on the tunnel level are subsequently updated. The application of the concept in a simple schematic application shows that such a combination can accurately and precisely predict features ahead of the operation within the limits of the model capabilities. In future work, the methods need to be tested with a real case study to evaluate the accuracy of predictions using real‐world TBM data and more complex geological models. The framework presented here could directly be extended to this purpose.
Illness progression in older‐age bipolar disorder: Exploring the applicability, dispersion, concordance, and associated clinical markers of two staging models for bipolar disorder in an older population
Authors: van der Markt Afra , Beunders Alexandra J. M. , Korten Nicole C. M. , Schouws Sigfried N. T. M. , Beekman Aartjan T.F. , Kupka Ralph W. , Klumpers Ursula , Dols Annemiek 
Published: October 2022

AbstractObjectivesThe validity and applicability of two existing staging models reflecting illness progression have been studied in bipolar disorder (BD) in adults, but not in older adult populations. Staging model A is primarily defined by the number and recurrence of mood episodes, model B is defined by the level of inter‐episodic functioning. This study aimed to explore the applicability, dispersion, and concordance of, and associations with clinical markers in these two staging models in older‐age bipolar disorder (OABD).MethodsUsing cross‐sectional data from the Dutch Older Bipolars study, OABD outpatients (N = 126, ≥50 years) were staged using models A and B. Dispersion over the stages and concordance between the models were assessed. Associations were explored between model stages and clinical markers (familial loading, childhood abuse, illness duration, episode density, treatment resistance, Mini‐Mental State Examination, and composite cognitive score).ResultsNinety subjects could be assigned to model A, 111 to model B, 80 cases to both. The majority (61%) had multiple relapses (model A, stage 3C) but were living independently (model B, stage I‐III). Concordance between models was low. For model A, the markers childhood abuse, illness duration, and episode density significantly increased over subsequent stages. Model B was not associated with a significant change in any marker.ConclusionsAssigning stages to OABD subjects was possible for both models, with age‐related adjustments for model B. Model B as currently operationalized may be less suitable for OABD or may measure different aspects of illness progression, reflected by its low correspondence with model A and lack of associated clinical markers.
A higher FIB‐4 index is associated with an increased incidence of renal failure in the general population
Authors: Schleicher Eva Maria , Gairing Simon Johannes , Galle Peter Robert , Weinmann‐Menke Julia , Schattenberg Jörn M. , Kostev Karel , Labenz Christian 
Published: October 2022

Abstract
The Fibrosis‐4 index (FIB‐4) is a recommended noninvasive fibrosis test in patients at risk of liver fibrosis. Chronic liver diseases are often associated with kidney diseases. This study aimed to investigate the association between FIB‐4 and the development of renal failure among the general population. For this study, we used the Disease Analyzer database, which includes diagnoses and basic medical and demographic data of patients followed in general practices in Germany. Using these data, we extensively matched patients with a FIB‐4 index ≥ 1.3 (n = 66,084) to patients with a FIB‐4 index < 1.3 (n = 66,084). The primary outcome was the incidence of renal failure or chronic renal failure during a 10‐year period. Within 10 years of the index date, 9.2% of patients with a FIB‐4 < 1.3 and 10.6% of patients with a FIB‐4 ≥ 1.3 were diagnosed with renal failure (p = 0.007). The endpoint chronic renal failure was reached by 7.9% with a FIB‐4 < 1.3 and 9.5% with a FIB‐4 ≥ 1.3 (p < 0.001). A FIB‐4 index ≥ 1.3 was associated with a slight increase in renal failure incidence (hazard ratio [HR]: 1.08, p = 0.009). There was an increasing association between an increase in FIB‐4 index and the incidence of renal failure with the strongest association for a FIB‐4 index ≥ 2.67 (HR: 1.34, p = 0.001). In sensitivity analyses, a significant association was found for the age group of 51–60 years (HR: 1.38, p < 0.001), patients with arterial hypertension (HR: 1.15, p < 0.001), obese patients (HR: 1.25, p = 0.005), and patients with lipid metabolism disorders (HR:1.22, p < 0.001). Conclusion: A higher FIB‐4 index is associated with an increased incidence of renal failure. Therefore, the FIB‐4 index may be useful in identifying patients who are at risk not only for liver‐related events but also for renal disease.