bluuebunny/crossref_metadata_2025_split huggingface dataset:
Towards estimation of CO2 adsorption on highly porous MOF-based adsorbents using gaussian process regression approach
Authors: Gheytanzadeh Majedeh , Baghban Alireza , Habibzadeh Sajjad , Esmaeili Amin , Abida Otman , Mohaddespour Ahmad , Munir Muhammad Tajammal 
Published: August 2021

AbstractIn recent years, new developments in controlling greenhouse gas emissions have been implemented to address the global climate conservation concern. Indeed, the earth's average temperature is being increased mainly due to burning fossil fuels, explicitly releasing high amounts of CO2 into the atmosphere. Therefore, effective capture techniques are needed to reduce the concentration of CO2. In this regard, metal organic frameworks (MOFs) have been known as the promising materials for CO2 adsorption. Hence, study on the impact of the adsorption conditions along with the MOFs structural properties on their ability in the CO2 adsorption will open new doors for their further application in CO2 separation technologies as well. However, the high cost of the corresponding experimental study together with the instrument's error, render the use of computational methods quite beneficial. Therefore, the present study proposes a Gaussian process regression model with four kernel functions to estimate the CO2 adsorption in terms of pressure, temperature, pore volume, and surface area of MOFs. In doing so, 506 CO2 uptake values in the literature have been collected and assessed. The proposed GPR models performed very well in which the exponential kernel function, was shown as the best predictive tool with R2 value of 1. Also, the sensitivity analysis was employed to investigate the effectiveness of input variables on the CO2 adsorption, through which it was determined that pressure is the most determining parameter. As the main result, the accurate estimate of CO2 adsorption by different MOFs is obtained by briefly employing the artificial intelligence concept tools.
Numerical investigation of nanoparticles slip mechanisms impact on the natural convection heat transfer characteristics of nanofluids in an enclosure
Authors: Amidu Muritala Alade , Addad Yacine , Riahi Mohamed Kamel , Abu-Nada Eiyad 
Published: August 2021

AbstractThis study intends to give qualitative results toward the understanding of different slip mechanisms impact on the natural heat transfer performance of nanofluids. The slip mechanisms considered in this study are Brownian diffusion, thermophoretic diffusion, and sedimentation. This study compares three different Eulerian nanofluid models; Single-phase, two-phase, and a third model that consists of incorporating the three slip mechanisms in a two-phase drift-flux. These slip mechanisms are found to have different impacts depending on the nanoparticle concentration, where this effect ranges from negligible to dominant. It has been reported experimentally in the literature that, with high nanoparticle volume fraction the heat transfer deteriorates. Admittingly, classical nanofluid models are known to underpredict this impairment. To address this discrepancy, this study focuses on the effect of thermophoretic diffusion and sedimentation outcome as these two mechanisms turn out to be influencing players in the resulting heat transfer rate using the two-phase model. In particular, the necessity to account for the sedimentation contribution toward qualitative modeling of the heat transfer is highlighted. To this end, correlations relating the thermophoretic and sedimentation coefficients to the nanofluid concentration and Rayleigh number are proposed in this study. Numerical experiments are presented to show the effectiveness of the proposed two-phase model in approaching the experimental data, for the full range of Rayleigh number in the laminar flow regime and for nanoparticles concentration of (0% to 3%), with great satisfaction.
Green development of China’s Pan-Pearl River Delta mega-urban agglomeration
Authors: Liu Tao , Li Yue 
Published: August 2021

AbstractMega-urban agglomerations in developing countries have been main parts of economic development. But at the same time, they have become the most prominent and sensitive areas of resource and environment problems. It is important to clarify the mechanism and driving factors of green growth in mega-urban agglomerations. Based on the panel data of 28 major cities in China's Pan-Pearl River Delta urban agglomeration from 2006 to 2015, this paper evaluates the level of green development of urban agglomeration by green total factor productivity index (GTFP) based on Global Malmquist DEA model, and decomposes GTFP into technological progress, pure technical efficiency change, scale efficiency change and technological scale change. On this basis, this paper constructs a panel econometric model to analyze the influencing factors of GTFP and its decomposition factors. The results show that GTFP of Pan-Pearl River Delta urban agglomeration is growing, and the scale effect caused by technological progress is the main driving factor. Green development in the Pearl River Delta urban agglomeration takes into account efficiency and regional fairness, which causes differences in GTFP growth patterns of sub-urban agglomerations within mega-urban agglomerations. The technological progress and technical efficiency improvement are becoming the main driving force of GTFP growth in relatively backward areas. Furthermore, according to the influencing factors of GTFP and its decomposition factors, mega-urban agglomeration should eliminate internal administrative barriers to build an integrated market. It should also increase the proportion of technology industries in core cities, and give full play to the role of technology spillover effect on surrounding cities. In addition, improving the efficiency of resource and energy utilization is also helpful to promote the transformation of urban agglomeration development from factor-driven to efficiency-driven and innovation-driven. Our research results have implications for the coordinated development of economy and environment in developing countries.
Dust in brown dwarfs and extra-solar planets
Authors: Köhn C. , Helling Ch. , Bødker Enghoff M. , Haynes K. , Sindel J. P. , Krog D. , Gobrecht D. 
Published: August 2021

Context. Modelling the formation of cloud condensation nuclei (CCNs) is key for predicting cloud properties in planet and brown dwarf atmospheres. The large diversity of exoplanets (rocky planets, mini-Neptunes, giant gas planets) requires a fundamental approach to cloud formation modelling in order to allow a full analysis of observational data contributing to exoplanet characterisation.
Aims. We aim to understand the onset of cloud formation and study the formation of TiO2-CCNs. The formation of (TiO2)N clusters as precursors to extrasolar cloud formation is modelled by two different methods in order to understand their potential, identify underlying shortcomings, and to validate our methods. We propose potential spectral tracers for TiO2-CCN formation.
Methods. We applied three-dimensional Monte Carlo (3D MC) simulations to model the collision-induced growth of TiO2-molecules to (TiO2)N-clusters in the free molecular flow regime of an atmospheric gas. We derived individual, time-dependent (TiO2)N cluster number densities. For T = 1000 K, the results are compared to a kinetic approach that utilises thermodynamic data for individual (TiO2)N clusters.
Results. The (TiO2)N cluster size distribution is temperature dependent and evolves in time until a steady state is reached. For T = 1000 K, the 3D MC and the kinetic approach agree well regarding the cluster number densities for N = 1 … 10, the vivid onset of cluster formation, and the long transition into a steady state. Collision-induced growth and evaporation simulated using a 3D MC approach enables a faster onset of cluster growth through nucleation bursts. Different size distributions develop for monomer-cluster and for cluster-cluster growth, with the largest clusters appearing for cluster-cluster growth.
Conclusions. The (TiO2)N cluster growth efficiency has a sweet-spot temperature at ≈1000 K at which CCN formation is triggered. The combination of local thermodynamic conditions and chemical processes therefore determines CCN formation efficiency. The onset of cloud formation may be observable through the (TiO2)4, (TiO2)5, and (TiO2)6 vibrational lines, which may be detectable with the Mid-Infrared Instrument on the James Webb Space Telescope or the Extremely Large Telescope’s mid-IR imager, but more complete line-list data are desirable.
Akute Nierenschädigung – Update 2021
Authors: Schmidt-Ott Kai M. 
Published: August 2021

Was ist neu?
Automatisierte Detektion von akuter Nierenschädigung (AKI) und AKI-Alert-Systeme Computersysteme zur automatisierten Erkennung von akuter Nierenschädigung (AKI-Alerts) halten Einzug in Kliniken. Diese alarmieren Ärzte automatisiert, wenn AKI anhand von Kreatininverläufen erkannt wird. Neue Studienergebnisse zeigen, dass der klinische Einsatz solcher Alarmsysteme sorgfältig geplant und mit konkreten Schulungen und Handlungsempfehlungen gekoppelt werden sollte.
Nierenersatzverfahren bei akuter Nierenschädigung Der Einsatz von Nierenersatzverfahren bei kritisch kranken Patienten mit AKI erfolgt derzeit nicht nach völlig einheitlichen Kriterien. Neue Daten liegen nun zum optimalen Zeitpunkt für den Therapiebeginn und zur Antikoagulation vor.
COVID-19 und akute Nierenschädigung Das gehäufte Auftreten von AKI bei Coronavirus disease-2019 (COVID-19) stellt Nephrologen und Intensivmediziner vor große Herausforderungen. Eine Vielzahl kürzlich erschienener Arbeiten untersucht die zugrunde liegende Epidemiologie und Pathophysiologie dieses neuen Krankheitsbilds. Das derzeitige klinische Vorgehen wird durch eine Kombination aus Beobachtungsstudien an COVID-19-Patienten und prospektiven Daten aus dem Non-COVID-19-Bereich instruiert.
Volumentherapie und Nierenschädigung – was gibt es Neues?
Authors: Willam Carsten , Schley Gunnar 
Published: August 2021

Was ist neu?
Welche Menge an Volumenersatzstoff geben? Im Schock erfolgt die Flüssigkeitstherapie mit Kristalloiden nach zielgerichteten Kriterien und unter Kontrolle des Laktats. Zur Wiederherstellung des Reäquilibriums ist oft eine Negativbilanz durch Flüssigkeitsrestriktion, Schleifendiuretika und maschinelle Ultrafiltration erforderlich. Bei einer maschinellen Ultrafiltration sollten 1,75 ml/kg/h nicht überschritten werden.
Welche Volumenersatzstoffe geben? Balancierte Kristalloide sind Mittel der Wahl zur Flüssigkeitstherapie. Neue Volumenersatzstoffe mit einer höheren Anionenlücke haben einen alkalisierenden Effekt und können möglicherweise die Flüssigkeitstherapie optimieren.
Welche Volumenersatzstoffe führen zu AKI? Kochsalz führt aufgrund einer hyperchlorämischen Azidose in moderaten Mengen zu einer funktionellen Einschränkung der renalen Filtration. In höheren Mengen ist NaCl mit einem schlechten Outcome vergesellschaftet. HES und vermutlich auch Gelatine haben zytotoxische Effekte und können zu einer akuten Nierenschädigung führen.
Quantifizierung der Entwicklungen des Mangels an
Fachärzten/innen für Öffentliches
Gesundheitswesen im Öffentlichen Gesundheitsdienst und seine
Auswirkungen
Authors: Tinnemann Peter , Bruns-Philipps Elke , Schumacher Jakob 
Published: August 2021

ZusammenfassungFür die Gesundheit der Bevölkerung in Deutschland spielen die
Einrichtungen des Öffentlichen Gesundheitsdienstes auf der Ebene der
Kommunen, der Länder und des Bundes eine zentrale Rolle. Zur
Bewältigung der vielfältigen praktischen Aufgaben des
Gesundheitsschutzes, der Krankheitsvermeidung und Gesundheitsförderung
nach rechtlichen Vorgaben arbeiten Mitarbeitende mit unterschiedlichen
Kompetenzen zusammen und tragen zur sozialen Kohärenz bei. Die
bundesweite Personalausstattung wird nicht empirisch erhoben. Unterschiedliche
Akteure kolportieren seit Jahren eine abnehmende Zahl an
Fachärzten/innen und damit verbundene
Qualitätseinschränkungen. Ziel dieser Untersuchung ist, den
Rückgang an Fachärzten/innen für das
Öffentliche Gesundheitswesen zu quantifizieren und regionale Trends
darzustellen. Regelmäßig erhobene und frei verfügbare
Daten zu den in dem Zeitraum von 1998 bis 2018 in Deutschland registrierten
Ärzte/innen wurden deskriptiv analysiert, in Bezug auf
Entwicklungen der Zahl an Fachärzte/innen in Deutschland, in den
Landesärztekammer Regionen, nach Facharztgebieten und Alter.
Während die Anzahl der Fachärzte/innen in Deutschland
insgesamt kontinuierlich steigt (52%), bleibt die Zahl derer, die in
Behörden, Körperschaften u. a. tätig sind mit
2% relativ konstant. Dagegen hat die Zahl der in Behörden und
Körperschaften tätigen Fachärzte/innen
für Öffentliches Gesundheitswesen in den letzten 20 Jahren um
fast 30% abgenommen. Ähnliche Entwicklungen zeigen sich in allen
Regionen, mit zum Teil noch größeren regionalen Abnahmen. Bayern
ist die einzige Region mit einer gegensätzlichen Entwicklung.
Für Fachärzte/innen für Öffentliches
Gesundheitswesen gibt es nahezu kaum Nachwuchs und Überalterung in
diesem Facharztgebiet nimmt zu. Vor dem Hintergrund der Entwicklungen
fachärztlicher Qualifikationen im Öffentlichen Gesundheitsdienst
muss eine ausreichend fachärztliche Bearbeitung hoheitlicher und anderer
für die Bevölkerungsmedizin relevanter Aufgaben in Frage
gestellt werden. Diese Entwicklungen bedrohen die Bevölkerungsgesundheit
im Allgemeinen, die öffentliche Sorge um vulnerable
Bevölkerungsgruppen im Speziellen und letztendlich den funktionierenden
demokratischen Sozialstaat.
How the COVID-19 Pandemic has Changed the Game of Soccer
Authors: Link Daniel , Anzer Gabriel 
Published: August 2021

AbstractThis study explores the influence of corona-specific training and playing conditions - especially empty stadiums - on match performance, contact behavior, and home advantage in the Bundesliga (BL) and Bundesliga 2 (BL2). We analyzed the 2017/18, 2018/19, and 2019/20 seasons and compared matches in rounds 26–34 before shutdown with “ghost” matches after restart. Results show increased running activity for high intensity distance: (+ 6.1%) and total distance covered (+ 4.3%). In BL2 in particular there were also changes in tactical aspects of the game (time in last third: –6.3%, pressure on pass receiver: –8.6%, success of attacking duels: –7.9%, share of long passes completed: + 15.6%, outplayed opponents per pass: –14.7%). Contact time to other players (< 2 m distance) was 15:35 mins per match. After restart, contact was reduced, especially when the ball was not in the last third (–11.2%). Away wins increased by +44.2% in BL and the home-away difference in yellow cards changed in favor of the away team (+31.2%) in BL2. We conclude that empty stadiums have reduced home advantage and decreased referee bias when awarding yellow cards. Player behavior might have been affected by tactical demands and/or conscious or unconscious self-protection.
Rezidivierende Pankreatitiden bei einer 43-jährigen Patientin mit High-Output Stoma
Authors: Jessen Bosse , Möhlig Matthias , Siegmund Britta , Treese Christoph 
Published: August 2021

ZusammenfassungDie Hyperkalzämie ist nur selten ein Auslöser der akuten Pankreatitis. Um die Ursache einer Hyperkalzämie zu eruieren, ist eine sorgfältige Differenzialdiagnostik nötig. In diesem Fallbeispiel beruhte die Hyperkalzämie auf einer Immobilisation bei Vorliegen eines High-Output-Stomas. Diese besondere Ätiologie der Pankreatitis ist bisher nicht beschrieben.
Zurück in die Pflege: Zwischen „Sollen“,
„Wollen“ und „Können“ –
Berufsidentitäten von Pflegefachkräften in Krisensituationen am
Beispiel der Sars-CoV-2-Pandemie
Authors: Tezcan-Güntekin Hürrem , Schmidt Julia Margarethe , Özer-Erdogdu Ilknur 
Published: August 2021

Zusammenfassung
Ziel Es werden Anforderungen, Motivationen und Herausforderungen bei der
pandemiebedingten Rückkehr von ausgebildeten Pflegefachkräften
in den Pflegeberuf analysiert, um Erkenntnisse zu Berufsidentitäten von
Pflegefachkräften in Krisensituationen abzuleiten und
Handlungsansätze für eine gelingende Rückkehr –
vorübergehend oder dauerhaft – in den Pflegeberuf zu
formulieren.
Methodik Auf der Grundlage des Diskrepanz-Modells nach Heinzer et al. [11]
und einer strukturierenden qualitativen Inhaltsanalyse [13] wurden 15
Expert*inneninterviews mit Pflegefachkräften
durchgeführt und analysiert.
Ergebnisse Die Ergebnisse zeigen auf, dass sich Pflegefachkräfte,
die beabsichtigen zeitweise in den Pflegeberuf zurückzukehren oder
bereits wieder in der Pflege arbeiten, in Zwiespälten befinden, die sich
in Kontinuen zwischen Pflichtgefühl, kollegialer Hilfsbereitschaft,
Fürsorge und Selbstfürsorge bewegen.
Schlussfolgerungen Um Pflegefachkräften den Wiedereinstieg in den
Pflegeberuf zu erleichtern, bedarf es einer transparenten Kommunikation von
Zugängen und einer Verringerung von Barrieren, einem
wertschätzenden Umgang und Möglichkeiten der Mitgestaltung von
Arbeitsbedingungen.
The Effects of Physical Exercise on Tumor Vasculature: Systematic Review and Meta-analysis
Authors: Esteves Mário , Monteiro Mariana P. , Duarte Jose Alberto 
Published: August 2021

AbstractA wealth of evidence supports an association between physical exercise, decreased tumor growth rate, and reduced risk of cancer mortality. In this context, the tumor vascular microenvironment may play a key role in modulating tumor biologic behavior. The present systematic review and meta-analysis aimed to summarize the evidence regarding the effects of physical exercise on tumor vasculature in pre-clinical studies. We performed a computerized research on the PubMed, Scopus, and EBSCO databases to identify pre-clinical studies that evaluated the effect of physical exercise on tumor vascular outcomes. Mean differences were calculated through a random effects model. The present systematic review included 13 studies involving 373 animals. From these, 11 studies evaluated chronic intratumoral vascular adaptations and 2 studies assessed the acute intratumoral vascular adaptations to physical exercise. The chronic intratumoral vascular adaptations resulted in higher tumor microvessel density in 4 studies, increased tumor perfusion in 2 studies, and reduced intratumoral hypoxia in 3 studies. Quantitatively, regular physical exercise induced an increased tumor vascularization of 2.13 [1.07, 3.20] (p<0.0001). The acute intratumoral vascular adaptations included increased vascular conductance and reduced vascular resistance, which improved tumor perfusion and attenuated intratumoral hypoxia. In pre-clinical studies, physical exercise seems to improve tumor vascularization.
Advances in [1,2]-Sigmatropic Rearrangements of Onium Ylides via Carbene Transfer Reactions
Authors: Koenigs Rene M. , Empel Claire , Jana Sripati 
Published: August 2021

AbstractThis review article summarizes progress made on [1,2]-sigmatropic rearrangements using carbenes in the ylide formation step. While other rearrangements, such as the [2,3]-sigmatropic, Doyle–Kirmse, or Sommelet–Hauser rearrangements, have been studied in detail over the past decades, investigations on [1,2]-sigmatropic rearrangements are still limited. Based on the application of diazoalkanes as carbene precursors, research on diazoalkanes in ylide formation reactions started flourishing in the 1990s. This Short Review covers milestones from the advent of [1,2]-sigmatropic rearrangements using carbenes to generate ammonium, oxonium and other ylide species, and should serve as an overview to further promote research in this area.1	Introduction2	Ammonium Ylides3	Oxonium Ylides4	Sulfonium and Selenium Ylides5	Halonium Ylides6	Conclusion and Outlook
Recent Advances in Light-Driven Carbon–Carbon Bond Formation via Carbon Dioxide Activation
Authors: Jung Jieun , Saito Susumu 
Published: August 2021

AbstractCarbon dioxide (CO2) is an attractive renewable one-carbon (C1) feedstock in terms of its earth abundance, low cost, and non-toxicity. Developing new catalytic systems to realize the practical insertion of CO2 into organic molecules has been of great importance for ecological economics. In recent years, outstanding improvements have been carried out in the field of light-driven catalytic carboxylation via the activation of CO2 as the key reagent. In this short review, the recent developments of light-promoted carboxylation utilizing CO2 to synthesize value-added chemicals using a dual visible-light photoredox/transition-metal catalyst or a photoredox catalyst are highlighted.1	Introduction2	Visible-Light-Driven Carboxylation Using Transition-Metal Photocatalysts2.1	Transition-Metal-Catalyzed Carboxylation of Alkenes2.2	Transition-Metal-Catalyzed Carboxylation of C(sp2)–X (X = Cl, Br, OTf) Bonds2.3	Transition-Metal-Catalyzed Carboxylation of Alkynes2.4	Transition-Metal-Catalyzed Carboxylation of Carbons Attached to Nitrogen3	Light-Driven Carboxylation via Organo-Photocatalysis3.1	Photocatalytic Carboxylation of Alkenes3.2	Photocatalytic Carboxylation of C(sp3)–H Bonds4	Conclusion
Synthesis of α-exo-Methylene-γ-butyrolactones: Recent Developments and Applications in Natural Product Synthesis
Authors: Liu Weilong , Winssinger Nicolas 
Published: August 2021

AbstractThe α-exo-methylene-γ-butyrolactone moiety is present in a vast array of structurally diverse natural products and is often central to their biological activity. In this short review, we summarize new approaches to α-exo-methylene-γ-butyrolactones developed over the past decade as well as their applications in total synthesis.1	Introduction2	Approaches to α-exo-Methylene-γ-butyrolactones2.1	Enantioselective Synthesis via Lactonization Approaches2.2	Enantioselective Halolactonizations2.3	Enantioselective Barbier-Type Allylation2.4	C–H Insertion/Olefination Sequences2.5	Alkene Cyclization2.6	Strain-Driven Dyotropic Rearrangement3	β-(Hydroxymethylalkyl)-α-exo-methylene-γ-butyrolactones4	Applications in Total Synthesis4.1	Sesquiterpene Lactones4.2	Lignans4.3	Other Monocyclic Natural Products4.4	Choice of Methodology in Recent Total Syntheses5	Summary and Outlook
Transition-Metal-Catalyzed Nucleophilic Dearomatization of Electron-Deficient Heteroarenes
Authors: Hu Fangdong , Xia Ying , Jia Jie 
Published: August 2021

AbstractIn recent decades, transition-metal-catalyzed nucleophilic dearomatization of electron-deficient heteroarenes, such as pyridines, quinolines, isoquinolines and nitroindoles, has become a powerful method for accessing unsaturated heterocycles. This short review summarizes nucleophilic dearomatizations of electron-deficient hetero­arenes with carbon- and heteroatom-based nucleophiles via transition-metal catalysis. A significant number of functionalized heterocycles are obtained via this transformation. Importantly, many of these reactions are carried out in an enantioselective manner by means of asymmetric catalysis, providing a unique method for the construction of enantio­enriched heterocycles.1	Introduction2	Transition-Metal-Catalyzed Nucleophilic Dearomatization of Hetero­arenes via Alkynylation3	Transition-Metal-Catalyzed Nucleophilic Dearomatization of Heteroarenes­ via Arylation4	Transition-Metal-Catalyzed Nucleophilic Dearomatization of Heteroarenes­ with Other Nucleophiles5	Transition-Metal-Catalyzed Nucleophilic Dearomatization with Nucleophiles Formed In Situ6	Conclusion and Outlook