bluuebunny/crossref_metadata_2025_split huggingface dataset:
Reactivity of [AuF3(SIMes)]: Pathway to Unprecedented Structural Motifs
Authors: Winter Marlon , Ellwanger Mathias A. , Limberg Niklas , Pérez‐Bitrián Alberto , Voßnacker Patrick , Steinhauer Simon , Riedel Sebastian 
Published: June 2023

AbstractWe report on a comprehensive reactivity study starting from [AuF3(SIMes)] to synthesize different motifs of monomeric gold(III) fluorides. A plethora of different ligands has been introduced in a mono‐substitution yielding trans‐[AuF2X(SIMes)] including alkynido, cyanido, azido, and a set of perfluoroalkoxido complexes. The latter were better accomplished via use of perfluorinated carbonyl‐bearing molecules, which is unprecedented in gold chemistry. In case of the cyanide and azide, triple substitution gave rise to the corresponding [AuX3(SIMes)] complexes. Comparison of the chemical shift of the carbene carbon atom in the 13C{1H} NMR spectrum, the calculated SIMes affinity and the Au−C bond length in the solid state with related literature‐known complexes yields a classification of trans‐influences for a variety of ligands attached to the gold center. Therein, the mixed fluorido perfluoroalkoxido complexes have a similar SIMes affinity to AuF3 with a very low Gibbs energy of formation when using the perfluoro carbonyl route.
Clinical assessment of VSR site and size and its relation to the severity of heart failure in post‐myocardial infarction ventricular septal rupture patients
Authors: Nobah Ali Mansour Ali , Abuheit Ezaldin M. I. , Jian Liguo , Wang Xiaofang , Zhang Yanzhou 
Published: June 2023

AbstractBackgroundVentricular septal rupture (VSR) is a rare but well‐known mechanical consequence of an acute myocardial infarction (AMI). Even in the later stages of re‐perfusion therapy, the result of VSR remains poor. Our aim is to assess the site and size of VSR in relation to the severity of cardiac failure.MethodsFrom January 2016 to December 2022, a total of 71 patients with a diagnosis of post‐myocardial infarction VSR were admitted to the First Affiliated Hospital of Zhengzhou University, Zhengzhou, China. Data records were retrospectively included in this registry. In all patients, clinical and echocardiographic data were gathered, and statistical analyses were performed.ResultsA total of 71 consecutive patients (mean age: 66.27 ± 8.88 years); 50.7% male, 49.3% female, with (M:F) ratio of almost (1:1). Left ventricular ejection fraction (LVEF) was (48.55 ± 10.44%) on echocardiography, and apical VSR was the most common site (69.0%). Overall, the VSD site was strongly related to the VSD size (p = .016), LVEF (p = .012), AMI site (p = .001), and affected coronary vessel (p = .004). Prodromal angina (p = .041), intra‐aortic balloon pump (p = .002), affected coronary vessels (p = .020), pro‐BNP (p = .000), and LVEF (p = .017) were predictors of the severity of heart failure.ConclusionsDiabetes mellitus is a common risk factor for post‐myocardial infarction VSR. VSR site and size had no relation to the severity of heart failure. A presentation with prodromal angina predicted severe heart failure and a worse prognosis.
Structure and Conformation of Individual Molecules upon Adsorption of a Mixture of Benzoporphyrins on Ag(111), Cu(111), and Cu(110) Surfaces
Authors: Adhikari Rajan , Brox Jan , Massicot Stephen , Ruppel Michael , Jux Norbert , Marbach Hubertus , Steinrück Hans‐Peter 
Published: June 2023

AbstractWe investigated the adsorption behavior of a mixture of six 2H‐tetrakis‐(3, 5‐di‐tert‐butylphenyl)(x)benzoporphyrins (2H‐diTTBP(x)BPs, x=0, 1, 2‐cis, 2‐trans, 3, and 4) on Ag(111), Cu(111) and Cu(110) at room temperature by scanning tunneling microscopy (STM) under ultra‐high vacuum conditions. On Ag(111), we observe an ordered two‐dimensional square phase, which is stable up to 400 K. On Cu(111), the same square phase coexists with a stripe phase, which disappears at 400 K. In contrast, on Cu(110), 2H‐diTTBP(x)BPs adsorb as immobile isolated molecules or dispersed short chains along the [1
0] substrate direction, which remain intact up to 450 K. The stabilization of the 2D supramolecular structures on Ag(111) and Cu(111), and of the 1D short chains on Cu(110) is attributed to van der Waals interactions between the tert‐butyl and phenyl groups of neighboring molecules. From high‐resolution STM, we can assign all six 2H‐diTTBP(x)BPs within the ordered structures. Moreover, we deduce a crown shape quadratic conformation on Ag(111) and Cu(111), an additional saddle‐shape on Cu(111), and an inverted structure and a quadratic appearance on Cu(110). The different conformations are attributed to the different degree of interaction of the iminic nitrogen atoms of the isoindole and pyrrole groups with the substrate atoms.
BATTERY 2030+ and its Research Roadmap: A Bibliometric Analysis
Authors: Ahlgren Per , Jeppsson Tobias , Stenberg Esa , Berg Erik , Edström Kristina 
Published: June 2023

AbstractIn this bibliometric study, we analyze two of the six battery research subfields identified in the BATTERY 2030+ roadmap: Materials Acceleration Platform and Smart functionalities: Sensing. In addition, we analyze the entire research field related to BATTERY 2030+ as a whole. We (a) evaluate the European standing in the two subfields/the BATTERY 2030+ field in comparison to the rest of the world, and (b) identify strongholds of the two subfields/the BATTERY 2030+ field across Europe. For each subfield and the field as a whole, we used seed articles, i. e. articles listed in the BATTERY 2030+ roadmap or cited by such articles, in order to generate additional, similar articles located in an algorithmically obtained classification system. The output of the analysis is publication volumes, field normalized citation impact values with comparisons between country/country aggregates and between organizations, co‐publishing networks between countries and organizations, and keyword co‐occurrence networks.
A 17 GHz inductorless low‐pass filter based on a quasi‐Sallen–Key approach
Authors: Bocciarelli Cristian , Centurelli Francesco , Monsurrò Pietro , Spinogatti Valerio , Trifiletti Alessandro 
Published: June 2023

SummaryIn this paper, an evolution of the Sallen–Key biquad architecture is presented, suitable for applications at very high frequency. The pole of the buffer amplifier is exploited as one of the poles of the biquad, therefore overcoming the constraints it poses on the maximum resonance frequency that can be achieved. This allows designing low‐pass filters with cutoff frequencies above 10 GHz without using bulky inductors and with good linearity performance provided by the use of feedback. This approach has been exploited to design a biquad in a commercial SiGe BiCMOS technology with maximum
of about 320 GHz. The biquad has been designed to provide a resonance frequency
of 12 GHz and a quality factor Q of 1.9; postlayout simulations show a cutoff frequency in excess of 17 GHz, 15.75 mW of power consumption, an equivalent input noise below 1
Vrms, and −52 dB of total harmonic distortion (THD) for a 640 mVpp input signal, with a very limited area consumption.
Lake water chemistry and population of origin interact to shape fecundity and growth in Daphnia ambigua
Authors: Rogalski Mary A. , Ferah Utku 
Published: June 2023

AbstractFreshwater environments vary widely in ion availability, owing to both natural and anthropogenic drivers. Field and laboratory work point to the importance of overall salinity, as well as cation depletion, in shaping the physiology, behavior, and ecology of freshwater taxa. Yet, we currently have a poor understanding of the degree to which populations may vary in response to ion availability. Using Daphnia collected from three lakes that differ greatly in salinity and calcium availability, we conducted a laboratory reciprocal transplant experiment to assess how animals representing these populations vary in fecundity, body size, and survival when reared in lake water from each environment. The lake water environment and population of origin strongly interacted to shape Daphnia growth and reproduction. Surprisingly, we found only modest evidence that lake water with abundant calcium (5.5 vs. 1.2–2.3 mg/L) increased Daphnia growth or reproduction. By contrast, water from a relatively ion‐rich lake (400 μS/cm specific conductance) strongly boosted Daphnia fecundity over lower‐ion lake water (20–50 μS/cm), especially for the population originating from the high‐ion environment. Our results suggest that ion‐poor conditions common in regions around the world may exert stress on freshwater organisms, even for populations inhabiting these environments. Meanwhile, moderate salt enrichment may not prove harmful but could even benefit freshwater taxa in these ion‐poor regions. The context dependence of how and when lake water chemistry affects Daphnia and other freshwater taxa deserves greater attention, in both ion‐depleted and ion‐rich conditions. Daphnia are key members of lake food webs and serve as an important model for ecology, evolution, and toxicology research. Consideration of how lake water chemistry may influence how Daphnia populations respond to abiotic and biotic stress may improve the ability to evaluate and predict ecological and evolutionary dynamics in lakes of varying chemical composition.
Addressing the complex phylogenetic relationship of the Gempylidae fishes using mitogenome data
Authors: Mthethwa Siphesihle , Bester‐van der Merwe Aletta E. , Roodt‐Wilding Rouvay 
Published: June 2023

AbstractThe Gempylidae (snake mackerels) family, belonging to the order Perciformes, consists of about 24 species described in 16 genera primarily distributed in tropical, subtropical, and temperate seas worldwide. Despite substantial research on this family utilizing morphological and molecular approaches, taxonomy categorization in this group has remained puzzling for decades prompting the need for further investigation into the underlying evolutionary history among the gempylids using molecular tools. In this study, we assembled eight complete novel mitochondrial genomes for five Gempylidae species (Neoepinnula minetomai, Neoepinnula orientalis, Rexea antefurcata, Rexea prometheoides, and Thyrsites atun) using Ion Torrent sequencing to supplement publicly available mitogenome data for gempylids. Using Bayesian inference and maximum‐likelihood tree search methods, we investigated the evolutionary relationships of 17 Gempylidae species using mitogenome data. In addition, we estimated divergence times for extant gempylids. We identified two major clades that formed approximately 48.05 (35.89–52.04) million years ago: Gempylidae 1 (Thyrsites atun, Promethichthys prometheus, Nealotus tripes, Diplospinus multistriatus, Paradiplospinus antarcticus, Rexea antefurcata, Rexea nakamurai, Rexea prometheoides, Rexea solandri, Thyrsitoides marleyi, Gempylus serpens, and Nesiarchus nasutus) and Gempylidae 2 (Lepidocybium flavobrunneum, Ruvettus pretiosus, Neoepinnula minetomai, Neoepinnula orientalis, and Epinnula magistralis). The present study demonstrated the superior performance of complete mitogenome data compared with individual genes in phylogenetic reconstruction. By including T. atun individuals from different regions, we demonstrated the potential for the application of mitogenomes in species phylogeography.
K3[MO4][MO3N] (M=Tc, Re) – Nitridotrioxidorhenate and ‐technetate from Highly Alkaline Media
Authors: Badea Désirée , Olthof Selina , Neudörfl Jörg M. , Glaum Robert , Pöttgen Rainer , Reimann Maximilian Kai , Meerholz Klaus , Reimer Max , Logemann Christian , Strub Erik , Bruns Jörn 
Published: June 2023

AbstractThe reactions of ammonium perrhenate and pertechnetate in highly alkaline medium led to the isotypic mixed anionic nitridotrioxidorhenate and ‐technetate K3[MO4][MO3N] (M= Tc, Re). Both compounds occur as colorless crystals, which were investigated by single crystal X‐ray diffraction. Furthermore, K3[ReO4][ReO3N] has been studied by means of X‐ray photoelectron spectroscopy to determine the oxidation state of rhenium. The obtained results have been complemented by magnetic measurements. IR and Raman spectroscopy indicated the presence of Re−O as well as Re−N bonds.
Seismic reliability analysis of soil slope based on Newmark sliding block model with representative slip surfaces and response surfaces
Authors: Yu Guangming , Li Chunli , Li Liang , Yu Hongbiao 
Published: June 2023

AbstractThis paper presents a framework combining Monte Carlo Simulation (MCS) and the Newmark sliding block model with representative slip surfaces (RSS) (model II) and multiple response surfaces method (MRSM) to conduct seismic reliability analysis and risk assessment of soil slopes. An empirical threshold is introduced to define the limit state function to identify the failure samples in MCS and the sliding area and Newmark sliding displacement are multiplied to quantify the failure consequence. The proposed methodology is illustrated through a soil slope with multiple layers. The calculation results demonstrate that traditional Newmark sliding block model (model I) tend to underestimate the variations of yield acceleration. Both the failure probability and landslide risk exhibit decreasing trends with the increase of threshold. Significant discrepancy in failure probability and landslide risk between two models is found even for a small threshold. Therefore, the proposed methodology is highly recommended in seismic reliability analysis and risk assessment. The contributions of RSSs to the failure probability and landslide risk are insensitive to the variation of displacement thresholds.
The effect of retirement on health behaviors
Authors: Gorry Devon , Slavov Sita Nataraj 
Published: June 2023

AbstractThis paper analyzes the effect of retirement on health behaviors using three nationally representative U.S. datasets. Findings show a decrease in drinking at the intensive margin, particularly for males. Individuals change their composition of exercise behaviors upon retirement, with varying effects of retirement depending on exercise intensity and gender. Dining patterns also change, with changes in eating out among men and more time spent on food preparation. Finally, although retirement increases time spent watching TV and movies as well as time spent sleeping, it reduces overall sedentary time.
Indian sickle cell disease registry for surveillance and patient management: Development and implementation
Authors: Babu Bontha V. , Sharma Yogita , Surti Shaily B. , Bhat Deepa , Sridevi Parikipandla , Ranjit Manoranjan , Sudhakar Godi , Sarmah Jatin 
Published: June 2023

AbstractIn India, sickle cell disease (SCD) predominantly occurs in indigenous (tribal) people, who are about 104 million. However, screening and diagnosis seldom happen. This situation necessitates developing a comprehensive SCD care model, including a registry. This paper describes the development and implementation of the Indian SCD registry (ISCDR) in six tribal‐dominated districts of India. The ISCDR was created in two components—(i) an Android‐based mobile/tablet application, (ii) a dashboard/admin panel for patients' data management and retrieval. Data capture involves two electronic case report forms (CRF), that is, the primary form (CRF‐1) and the repeat visit form (CRF‐2). CRF‐1 is completed as soon as the patient is found positive and captures the patient's information, including medical history, diagnosis, symptoms, precipitating factors, hospitalisation history and treatment received. Issues related to quality, security and data‐sharing were addressed. After the screening system was functional, ISCDR was initiated. In 12 months, data of 324 SCD patients and 1771 carriers were entered. The study demonstrates the feasibility of establishing an SCD registry in India. It collects systematic longitudinal data on SCD patients, which are essential for programme planning and management. Further, it is feasible to scale up and integrate with other health management databases.
Immunoglobulin Go: Synergy of Combinatorics for Catalysis
Authors: Smirnov Ivan , Belogurov Alexey , Golovin Andrey , Stepanov Alexey , Zhang Hongkai , Blackburn G. Michael , Gabibov Alexander 
Published: June 2023

AbstractThe maturation of B cells leads to the synthesis of highly evolved immunoglobulins (Igs) that enable efficient antigen‐antibody recognition. Here we discuss a non‐opportunistic, combinatorial concept of “maturation” of Igs in silico for the production of artificially‐evolved immunocatalysts. Several recent breakthroughs including: (i) single B cell selection using microfluidic technology (ii) combinatorial approaches powered by library screening (iii) structural computing and machine learning, (iv) quantum mechanics/molecular mechanics (QM/MM) evaluations of catalytic reaction leading to optimistic prospect for the elaboration of more effective immunoglobulin‐derived catalytic templates and redirection the selection process to a purely robotic procedure. The synergy of these approaches enable catalytic antibody become a great prospect for biomedical purposes. The most recent breakthroughs include therapeutic antibodies and catalytic Chimeric Antigen Receptors (catCARs) with controllable pharmacokinetic parameters.
Examining reuse and replacement procedures for Ipas manual vacuum aspiration and cannulae in nine countries
Authors: Eckersberger Elisabeth , Dijkerman Sally , Perkins Megan , Overholt True , Asport Susana , Aziz Hina , Barata Ivania , Gulati Sumit , Chekol Bekalu Mossie , Mulase Leonard , Mulunda Jean‐Claude , Oginni Ayodeji , Smith Marian , Powell Bill , Kapp Nathalie 
Published: June 2023

AbstractObjectiveTo determine how many times Ipas manual vacuum aspiration (MVA) instruments are reused, for what reasons, when the instruments are replaced and/or discarded, and what the barriers are to replacing them.MethodsWe conducted a mixed‐methods cross‐sectional study of health care providers who provide MVA services and key stakeholders in the supply chain to understand reuse and replacement of Ipas MVA aspirators and cannulae. Qualitative interviews focused on procurement and replacement of Ipas MVA instruments.ResultsThe authors interviewed 352 health care providers from nine countries from 2019 to 2021. Providers reported reusing MVA instruments an average of 34.4 times (standard deviation, 45). The reuse averages ranged from one time (Democratic Republic of the Congo) to 500 times (India), with figures varying between providers within the same country. Instrument malfunctioning rather than a specific number of uses drove reuse and subsequent replacement. The decision to replace was most commonly made by the provider during use. Half of the providers said that they knew of no issues with the supply chain, and 85% said they were always able to replace Ipas MVA instruments when needed.ConclusionTracking reuse of MVA instruments was uncommon at participating providers' health facilities. Providers' estimates revealed great variability in reuse frequency and tracking procedures.
Mental health complaints among healthcare workers engaged in the care of COVID‐19 patients: A prospective cohort study from Japan
Authors: Namikawa Hiroki , Tochino Yoshihiro , Okada Akiko , Ota Keiko , Okada Yasuyo , Yamada Koichi , Watanabe Tetsuya , Mizobata Yasumitsu , Kakeya Hiroshi , Kuwatsuru Yumiko , Shibata Toshihiko , Shuto Taichi 
Published: June 2023

AbstractBackgroundHealthcare workers (HCWs) caring for patients with coronavirus disease‐2019 (COVID‐19) can experience physical and mental health burdens. It is imperative that hospitals reduce such burdens on frontline HCWs, protect them, and support their healthcare. This study aimed to investigate the association between occupation and the manifestation of physical or psychological symptoms among HCWs during the current COVID‐19 pandemic.MethodsA twice‐weekly survey using questionnaires targeting HCWs who care for COVID‐19 patients was performed at Osaka Metropolitan University Hospital (tertiary hospital). The demographic characteristics of the participants, exposure level, and physical and psychological complaints were evaluated.ResultsSeventy‐one HCWs participated in this study, of whom 27 (38.0%) were doctors, 25 (35.2%) were nurses, and 19 (26.8%) were technicians. Among the HCWs, the proportions of those who experienced any physical or psychological symptoms were 28.2% and 31.0%, respectively. The frequency of depression and anxiety was obviously higher among the nurses than that among the doctors (both p < 0.01). Multivariate analysis revealed that being a nurse (odds ratio 4.90; p = 0.04) and having physical complaints (odds ratio 4.66; p = 0.02) might be independent predictors of the manifestation of psychological symptoms.ConclusionOur results indicate that the follow‐up of HCWs experiencing physical symptoms, especially nurses engaged in the care of COVID‐19 patients, may require more careful management to improve the psychological outcomes. We believe that this study is the first step toward establishing a psychological health management strategy for HCWs caring for COVID‐19 patients.
[BCMIM][Cl] ionic liquid catalyzed diastereoselective synthesis of β‐amino ketones via facile, one‐pot, multicomponent Mannich reaction under solvent‐free condition
Authors: Mohurle Shital , C Vishnu Devi , Pasuparthy Sai Deepak , Talamarla Deepthi , Kali Venkatesan , Maiti Barnali 
Published: June 2023

AbstractIn this work, by utilizing 6 mol% of 1,3‐bis(carboxymethyl)imidazolium chloride [BCMIM][Cl] ionic liquid as a catalyst, a highly effective diastereoselective one‐pot multicomponent Mannich reaction has been established. The three components, namely, cyclohexanone, substituted aromatic aldehydes, and substituted aromatic amines, underwent the Mannich reaction efficiently under the solvent‐free condition at room temperature in the presence of 6 mol% [BCMIM][Cl] catalyst to afford the desired β‐amino ketones. Excellent diastereoselectivity, rapid reaction times, high yields, and no purification by column chromatography are the key characteristics of this process. All synthesized derivatives were thoroughly characterized and confirmed using 1H NMR, 13C NMR, and Fourier‐transform infrared spectral methods. Moreover, the catalytic activity of the [BCMIM][Cl] ionic liquid catalyst was maintained after being reprocessed and used three times.