bluuebunny/crossref_metadata_2025 huggingface dataset:
Syntheses, Structures, and Bioactivity Evaluation of some Transition Metal Complexes with Aroylbis(N,N‐diethylthioureas) Derived from Natural Compounds
Authors: Thang Pham Chien , Thuy Pham Thu , Ha Nguyen Viet , Nguyet Trieu Thi , Huy Nguyen Hung
Published: May 2021

Two novel benzoylthioureas derived from gallic acid, (tri‐O‐acetyl)galloyl‐N,N‐diethylthiourea HL1, and cinnamic acid, cinnamoyl‐N,N‐diethylthiourea HL2 have been successfully prepared and characterized by means of elemental analysis, IR, NMR, high‐resolution MS, and X‐ray crystallography. The organic ligands react with Ni(AcO)2 and Cu(AcO)2 in MeOH under formation of bis‐complexes with the compositions of [M(L)2] (M=Ni2+, Cu2+; L=L1, L2). Similar reactions with Co(AcO)2, however, result in Co(III) tris‐complexes [Co(L)3] (L=L1, L2) with the metal ions oxidized presumably by atmospheric dioxygen. X‐ray crystallography and spectroscopic characterization reveal a cis square‐planar coordination in the bis‐complexes and facial octahedral geometry in the tris‐complexes. In all of metal complexes, the deprotonated organic compounds ({L1}− and {L2}−) serve as (S,O)‐bidentate ligands. The ligand HL1 and its Ni(II) and Cu(II) complexes exhibit weak antiproliferative effects on the human MCF7 breast and HepG2 liver cancer cells with IC50 values in the range of 60–115 μM. Surprisingly, the tris‐complex [Co(L1)3] exhibits high cytotoxicity with IC50 values of 22.23±1.58 μM for MCF7 and 28.30±3.09 μM for HepG2 cancer cells. The activity against MCF7 cells is even more than that of cisplatin under the same conditions.
Synthesis, Structures, and Reactivities of Iron Complexes Bearing an Isoindoline‐Based, Polyprotic Pincer‐Type Pyrazole Ligand
Authors: Toda Tatsuro , Kuwata Shigeki
Published: May 2021

The synthesis and properties of polyprotic NNN pincer‐type bis(pyrazole) iron complexes derived from a 1,3‐bis(pyrazol‐3‐ylimino)isoindoline 1 were investigated. When 1 was treated with iron(II) chloride, the paramagnetic, square‐pyramidal complex [FeCl2(LH3)] (2; LH3=3‐(5‐tert‐butylpyrazol‐3‐ylamino)‐1‐(5‐tert‐butylpyrazol‐3‐ylimino)‐1H‐isoindole) was obtained. Reaction of 2 with two equiv. of silver triflate followed by addition of two equiv. of trimethylphosphine yielded the diamagnetic, octahedral complex [Fe(OTf)(PMe3)2(LH3)]OTf (3), which was converted to the carbonyl complex [Fe(CO)(PMe3)2(LH3)](OTf)2 (4). Treatment of 4 with triethylamine led to deprotonation of the chelate backbone to give the isoindolin‐2‐yl complex [Fe(CO)(PMe3)2(LH2)]OTf (5). The structures of the LH3 and LH2 ligands were compared in details. The NH groups in the pincer ligand in 2–5 are accompanied by hydrogen bonds, showing their Brønsted acidic nature. In addition, 3 catalyzed disproportionation of hydrazine, although the catalytic activity was lower than that of a related pyridine‐based pincer complex 6 a.
Die Denkfigur Zukunft: Ein epistemischer Zielpunkt ›ohne Stütze‹
Authors: Brössel Stephan
Published: May 2021

Wenn in Erzähltexten der Zwischenphase Zeit relevant gesetzt ist, wenn die entworfene Vergangenheit belastend auf die Gegenwart einwirkt, die von jener abhängt und sich zugleich von ihr abgrenzt, wenn die Gegenwart also auch als Segment bezeichnet werden kann, in dem Zeit ›gestört‹ ist, dann ist die Zukunft, wie sie Texte gestalten, als Struktureinheit anzusehen, der als epistemischer und zeitreflexiver Zielpunkt fungiert. Allerdings auch als Zielpunkt ›ohne Stütze‹: Die Zukunft ist unvorhersehbar, unsicher, multioptional. Die Gegenwart gestaltet sich als Problemverhandlungsraum, die Zukunft als imponderabler (Zeit-)Raum der Resultativität mit reflexiver Zeige-Funktion.
One-loop radiative corrections to e+e− → Zh0/H0A0 in the Inert Higgs Doublet Model
Authors: Abouabid Hamza , Arhrib Abdesslam , Benbrik Rachid , El Falaki Jaouad , Gong Bin , Xie Wenhai , Yan Qi-Shu
Published: May 2021

Abstract

We compute the full one-loop radiative corrections (including both weak and QED corrections) for two processes e+e− → Zh0, H0A0 in the Inert Higgs Doublet model (IHDM). Up to O(αw) and O(αem) order, we use FeynArts/FormCalc to compute the one-loop virtual corrections and Feynman Diagram Calculation (FDC) to evaluate the real emission, respectively. Being equipped with these computing tools, we investigate radiative corrections of new physics for five scenarios with three typical collision energies of future electron-positron colliders: 250 GeV, 500 GeV, and 1000 GeV. By scanning the parameter space of IHDM, we identify the allowed regions which are consistent with constraints and bounds, from both theoretical and experimental sides. We find that the radiative corrections of the IHDM to e+e− → Zh0 can be sizeable and are within the detection potentials of future Higgs factories. We also find that the new physics of IHDM could also be directly detected by observing the process e+e− → H0A0 which could have large enough production rate. We propose six benchmark points and examine their salient features which can serve as physics targets for future electron-positron colliders, such as CEPC/CLIC/FCC-ee/ILC as well as for LHC.
Constraints on general neutrino interactions with exotic fermion from neutrino-electron scattering experiments
Authors: Chen Zikang , Li Tong , Liao Jiajun
Published: May 2021

Abstract

The couplings between the neutrinos and exotic fermion can be probed in both neutrino scattering experiments and dark matter direct detection experiments. We present a detailed analysis of the general neutrino interactions with an exotic fermion and electrons at neutrino-electron scattering experiments. We obtain the constraints on the coupling coefficients of the scalar, pseudoscalar, vector, axialvector, tensor and electromagnetic dipole interactions from the CHARM-II, TEXONO and Borexino experiments. For the flavor-universal interactions, we find that the Borexino experiment sets the strongest bounds in the low mass region for the electromagnetic dipole interactions, and the CHARM-II experiment dominates the bounds for other scenarios. If the interactions are flavor dependent, the bounds from the CHARM-II or TEXONO experiment can be avoided, and there are correlations between the flavored coupling coefficients for the Borexino experiment. We also discuss the detection of sub-MeV DM absorbed by bound electron targets and illustrate that the vector coefficients preferred by XENON1T data are allowed by the neutrino-electron scattering experiments.
On the perturbative expansion of exact bi-local correlators in JT gravity
Authors: Griguolo Luca , Papalini Jacopo , Seminara Domenico
Published: May 2021

Abstract

We study the perturbative series associated to bi-local correlators in Jackiw-Teitelboim (JT) gravity, for positive weight λ of the matter CFT operators. Starting from the known exact expression, derived by CFT and gauge theoretical methods, we reproduce the Schwarzian semiclassical expansion beyond leading order. The computation is done for arbitrary temperature and finite boundary distances, in the case of disk and trumpet topologies. A formula presenting the perturbative result (for λ ∈ ℕ/2) at any given order in terms of generalized Apostol-Bernoulli polynomials is also obtained. The limit of zero temperature is then considered, obtaining a compact expression that allows to discuss the asymptotic behaviour of the perturbative series. Finally we highlight the possibility to express the exact result as particular combinations of Mordell integrals.
Exploiting augmented intelligence in the modeling of safety-critical autonomous systems
Authors: Yang Zhibin , Bao Yang , Yang Yongqiang , Huang Zhiqiu , Bodeveix Jean-Paul , Filali Mamoun , Gu Zonghua
Published: May 2021

Machine learning (ML) is used increasingly in safety-critical
systems to provide more complex autonomy to make the system to do
decisions by itself in uncertain environments. Using ML to learn
system features is fundamentally different from manually
implementing them in conventional components written in source code.
In this paper, we make a first step towards exploring
the architecture modeling of safety-critical autonomous systems
which are composed of conventional components and ML components,
based on natural language requirements. Firstly, augmented
intelligence for restricted natural language requirement
modeling is proposed. In that, several AI technologies such as
natural language processing and clustering are used to recommend
candidate terms to the glossary, as well as machine learning is used
to predict the category of requirements. The glossary including data
dictionary and domain glossary and the category of requirements will
be used in the restricted natural language requirement specification
method RNLReq, which is equipped with a set of restriction rules and
templates to structure and restrict the way how users document
requirements. Secondly, automatic generation of SysML architecture
models from the RNLReq requirement specifications is presented.
Thirdly, the prototype tool is implemented based on Papyrus.
Finally, it presents the evaluation of the proposed
approach using an industrial autonomous guidance, navigation and
control case study.
Semigenerated Carnot algebras and applications to sub-Riemannian perimeter
Authors: Le Donne Enrico , Moisala Terhi
Published: May 2021

This paper contributes to the study of sets of finite intrinsic perimeter in Carnot groups. Our intent is to characterize in which groups the only sets with constant intrinsic normal are the vertical half-spaces. Our viewpoint is algebraic: such a phenomenon happens if and only if the semigroup generated by each horizontal half-space is a vertical half-space. We call semigenerated those Carnot groups with this property. For Carnot groups of nilpotency step 3 we provide a complete characterization of semigeneration in terms of whether such groups do not have any Engel-type quotients. Engel-type groups, which are introduced here, are the minimal (in terms of quotients) counterexamples. In addition, we give some sufficient criteria for semigeneration of Carnot groups of arbitrary step. For doing this, we define a new class of Carnot groups, which we call type $$(\Diamond )$$

(
◊
)

and which generalizes the previous notion of type $$(\star )$$

(
⋆
)

defined by M. Marchi. As an application, we get that in type $$ (\Diamond ) $$

(
◊
)

groups and in step 3 groups that do not have any Engel-type algebra as a quotient, one achieves a strong rectifiability result for sets of finite perimeter in the sense of Franchi, Serapioni, and Serra-Cassano.
Pecularities and applications of aryl-alcohol oxidases from fungi
Authors: Urlacher Vlada B. , Koschorreck Katja
Published: May 2021

Aryl-alcohol oxidases (AAOs) are FAD-containing enzymes that oxidize a broad range of aromatic as well as aliphatic allylic alcohols to aldehydes. Their broad substrate spectrum accompanied by the only need for molecular oxygen as cosubstrate and production of hydrogen peroxide as sole by-product makes these enzymes very promising biocatalysts. AAOs were used in the synthesis of flavors, fragrances, and other high-value-added compounds and building blocks as well as in dye decolorization and pulp biobleaching. Furthermore, AAOs offer a huge potential as efficient suppliers of hydrogen peroxide for peroxidase- and peroxygenase-catalyzed reactions. A prerequisite for application as biocatalysts at larger scale is the production of AAOs in sufficient amounts. Heterologous expression of these predominantly fungal enzymes is, however, quite challenging. This review summarizes different approaches aiming at enhancing heterologous expression of AAOs and gives an update on substrates accepted by these promising enzymes as well as potential fields of their application.

Key points

• Aryl-alcohol oxidases (AAOs) supply ligninolytic peroxidases with H2O2.

• AAOs accept a broad spectrum of aromatic and aliphatic allylic alcohols.

• AAOs are potential biocatalysts for the production of high-value-added bio-based chemicals.
Impact of Preoperative Anemia on Outcomes of Enhanced Recovery Program After Colorectal Surgery: A Monocentric Retrospective Study
Authors: Hardy Pierre‐Yves , Degesve Maxime , Joris Jean , Coimbra Carla , Decker Emmanuel , Hans Gregory
Published: May 2021

Background

Anemia is common before major abdominal surgery (35%). It is an independent factor for postoperative complications and longer length of stay (LOS). The aim of this study was to evaluate the extent to which preoperative anemia impacts on enhanced recovery programs (ERP) outcomes.

Materials and Methods

The data for patients scheduled for colorectal surgery between 2015 and 2019, were analyzed (n = 494). All patients were managed with the same ERP. Demographic data, preoperative risk factors, postoperative complications, LOS and adherence to ERP were compared between anemic and non‐anemic patients. Anemia was defined by a hemoglobin concentration < 13 g dL−1 in men and < 12 g dL−1 in women.

Results and Discussion

In total, 173 patients had preoperative anemia. They were older (p < 0.001) and more often male (p = 0.02). The following risk factors were significantly more frequent in the anemic group: renal failure (p = 0.04), malnutrition (p < 0.001), cardiac arrhythmia (p < 0.001), coronaropathy (p = 0.02) and anticoagulant treatment (p < 0.001). Despite more risk factors, anemic patients did not experience more postoperative complications (38.2% vs. 31.2%, p = 0.12). Overall adherence to ERP was similar (18 [16–19] vs. 18 [17–19], p = 0.06). LOS was 4 [3–7] and 3 [2–6.25] days in the anemic and the non‐anemic groups, respectively (p < 0.002). Multivariate analysis showed that anemia did not affect LOS (p = 0.27).

Conclusion

Our study suggests that preoperative anemia does not detract from the benefits of ERP after elective colorectal surgery.
Snow mediates climatic impacts on Arctic herbivore populations
Authors: Duncan Rebecca J. , Andrew Margaret E. , Forchhammer Mads C.
Published: May 2021

Arctic ecosystems are particularly vulnerable to impacts of climate change; however, the complex relationships between climate and ecosystems make incorporating effects of climate change into population management difficult. This study used structural equation modelling (SEM) and a 24-year multifaceted monitoring data series collected at Zackenberg, North-East Greenland, to untangle the network of climatic and local abiotic and biotic drivers, determining their direct and indirect effects on two herbivores: musk ox (Ovibos moschatus) and collared lemming (Dicrostonyx groenlandicus). Snow conditions were determined to be the central driver within the system, mediating the effects of climate on herbivore abundance. Under current climate change projections, snow is expected to decrease in the region. Snow had an indirect negative effect on musk ox, as decreased snow depth led to an earlier start to the Arctic willow growing season, shown to increase fecundity and decrease mortality. Musk ox are therefore expected to be more successful under future conditions, within a certain threshold. Snow had both positive and negative effects on lemming, with lemming expected to ultimately be less successful under climate change, as reduction in snow increases their vulnerability to predation. Through their capacity to determine effects of climatic and local drivers within a hierarchy, and the relative strength and direction of these effects, SEMs were demonstrated to have the potential to be valuable in guiding population management.
Bearded seal (Erignathus barbatus) vocalizations across seasons and habitat types in Svalbard, Norway
Authors: Llobet Samuel M. , Ahonen Heidi , Lydersen Christian , Berge Jørgen , Ims Rolf , Kovacs Kit M.
Published: May 2021

Male bearded seals (Erignathus barbatus) use vocal displays to attract females and to compete with other males during the mating season. This makes it possible to monitor breeding populations of this species using passive acoustic monitoring (PAM). This study analysed year-round acoustic data records from AURAL instruments in Svalbard (Norway) to investigate seasonal variation in the acoustic presence of male bearded seals and the phenology of different call types (long, step and sweep trills) at three sites representing a variety of habitats with varied ice conditions. Male bearded seals vocalized for an extended period at a drift-ice site (Atwain; January–July) north of Spitsbergen, while the vocal season was shorter at a High Arctic land-fast-ice site (Rijpfjorden; February–June) and shorter yet again at a west-coast site that has undergone dramatic reductions in sea ice cover over the last 1.5 decades (Kongsfjorden; April–June). Generalized Additive Models showed marked seasonal segregation in the use of different trill types at Atwain, where call rates reached 400 per h, with long trills being the most numerous call type. Modest segregation of trill types was seen at Rijpfjorden, where call rates reached 300 per h, and no segregation occurred in Kongsfjorden (peak call rate 80 per h). Sea ice cover was available throughout the vocal season at Atwain and Rijpfjorden, while at Kongsfjorden peak vocal activity (May–June) occurred after the sea ice disappeared. Ongoing climate warming and sea ice reductions will likely increase the incidence of such mismatches and reduce breeding habitat for bearded seals.
Reference Configurations Versus Optimal Rotations: A Derivation of Linear Elasticity from Finite Elasticity for all Traction Forces
Authors: Maor Cy , Mora Maria Giovanna
Published: May 2021

We rigorously derive linear elasticity as a low energy limit of pure traction nonlinear elasticity. Unlike previous results, we do not impose any restrictive assumptions on the forces, and obtain a full $$\Gamma $$
Γ
-convergence result. The analysis relies on identifying the correct reference configuration to linearize about, and studying its relation to the rotations preferred by the forces (optimal rotations). The $$\Gamma $$
Γ
-limit is the standard linear elasticity model, plus a term that penalizes for fluctuations of the reference configurations from the optimal rotations. However, on minimizers this additional term is zero and the limit energy reduces to standard linear elasticity.
Role of systemic immune-inflammation index in patients treated with salvage radical prostatectomy
Authors: Rajwa Pawel , Schuettfort Victor M. , Quhal Fahad , Mori Keiichiro , Katayama Satoshi , Laukhtina Ekaterina , Pradere Benjamin , Motlagh Reza Sari , Mostafaei Hadi , Grossmann Nico C. , Aulitzky Andreas , Paradysz Andrzej , Karakiewicz Pierre I. , Fajkovic Harun , Zimmermann Kristin , Heidenreich Axel , Gontero Paolo , Shariat Shahrokh F.
Published: May 2021

Purpose

To examine the predictive and prognostic value of preoperative Systemic Immune-inflammation Index (SII) in patients with radio-recurrent prostate cancer (PCa) treated with salvage radical prostatectomy (SRP).

Materials and methods

This multicenter retrospective study included 214 patients with radio-recurrent PCa, treated with SRP between 2007 and 2015. SII was measured preoperatively (neutrophils × platelets/lymphocytes) and the cohort was stratified using optimal cut-off. Uni- and multivariable logistic and Cox regression analyses were performed to evaluate the predictive and prognostic value of SII as a preoperative biomarker.

Results

A total of 81 patients had high preoperative SII (≥ 730). On multivariable logistic regression modeling, high SII was predictive for lymph node metastases (OR 3.32, 95% CI 1.45–7.90, p = 0.005), and non-organ confined disease (OR 2.55, 95% CI 1.33–4.97, p = 0.005). In preoperative regression analysis, high preoperative SII was an independent prognostic factor for cancer-specific survival (CSS; HR 10.7, 95% CI 1.12–103, p = 0.039) and overall survival (OS; HR 8.57, 95% CI 2.70–27.2, p < 0.001). Similarly, in postoperative multivariable models, SII was associated with worse CSS (HR 22.11, 95% CI 1.23–398.12, p = 0.036) and OS (HR 5.98, 95% CI 1.67–21.44, p = 0.006). Notably, the addition of SII to preoperative reference models improved the C-index for the prognosis of CSS (89.5 vs. 80.5) and OS (85.1 vs 77.1).

Conclusions

In radio-recurrent PCa patients, high SII was associated with adverse pathological features at SRP and survival after SRP. Preoperative SII could help identify patients who might benefit from novel imaging modalities, multimodal therapy or a closer posttreatment surveillance.
Observations of large-scale coherent structures in gravity currents: implications for flow dynamics
Authors: Marshall C. R. , Dorrell R. M. , Keevil G. M. , Peakall J. , Tobias S. M.
Published: May 2021

Density driven flows, also known as gravity currents, comprise a head, body, and tail. Yet whilst the body typically forms the largest part of such flows, its structure remains poorly understood. In this work, experimental data gathered using particle image velocimetry enables the instantaneous, whole-field dynamics of constant-influx solute-based gravity currents to be resolved. While averaged turbulent kinetic energy profiles are comparable to previous work, the instantaneous data sets reveal significant temporal variation, with velocity measurements indicating large-scale wave-like motions within the body. Spectral analysis and dynamic mode decomposition, of streamwise and vertical velocity, are used to identify the frequencies and structures of the dominant motions within the flow. By considering an idealised theoretical density profile, it is suggested that these structures may be internal gravity waves that form a critical layer within the flow located at the height of the maximum internal velocity. Irreversible internal wave breaking that has been postulated to occur at this critical layer suggests formation of internal eddy transport barriers, demonstrating that new dynamic models of turbulent mixing in gravity currents are needed.

Graphic abstract
Clopidogrel vs. prasugrel vs. ticagrelor in patients with acute myocardial infarction complicated by cardiogenic shock: a pooled IABP-SHOCK II and CULPRIT-SHOCK trial sub-analysis
Authors: Orban Martin , Kleeberger Jan , Ouarrak Taoufik , Freund Anne , Feistritzer Hans-Josef , Fuernau Georg , Geisler Tobias , Huber Kurt , Dudek Dariusz , Noc Marko , Montalescot Gilles , Neumer Alexander , Haller Paul , Clemmensen Peter , Zeymer Uwe , Desch Steffen , Massberg Steffen , Schneider Steffen , Thiele Holger , Hausleiter Jörg
Published: May 2021

Aims

The aim of this pooled sub-analysis of the Intraaortic Balloon Pump in Cardiogenic Shock II (IABP-SHOCK II) and Culprit Lesion Only PCI versus Multivessel PCI in Cardiogenic Shock (CULPRIT-SHOCK) trial was to compare the clinical outcome of patients with acute myocardial infarction complicated by cardiogenic shock treated either with clopidogrel or the newer, more potent ADP-receptor antagonists prasugrel or ticagrelor.

Methods and results

For the current analysis the primary endpoint was 1-year mortality and the secondary safety endpoint was moderate or severe bleedings until hospital discharge with respect to three different ADP-receptor antagonists. 856 patients were eligible for analysis. Of these, 507 patients (59.2%) received clopidogrel, 178 patients (20.8%) prasugrel and 171 patients (20.0%) ticagrelor as acute antiplatelet therapy. The adjusted rate of mortality after 1-year did not differ significantly between prasugrel and clopidogrel (hazard ratio [HR]: 0.81, 95% confidence interval [CI] 0.60–1.09, padj = 0.17) or between ticagrelor and clopidogrel treated patients (HR: 0.86, 95% CI 0.65–1.15, padj = 0.31). In-hospital bleeding events were significantly less frequent in patients treated with ticagrelor vs. clopidogrel (HR: 0.37, 95% CI 0.20 -0.69, padj = 0.002) and not significantly different in patients treated with prasugrel vs. clopidogrel (HR: 0.73, 95% CI 0.43 -1.24, padj = 0.24).

Conclusion

This pooled sub-analysis is the largest analysis on safety and efficacy of three oral ADP-receptor antagonists and shows that acute therapy with either clopidogrel, prasugrel or ticagrelor is no independent predictor of 1-year mortality. Treatment with ticagrelor seems independently associated with less in-hospital moderate and severe bleeding events compared to clopidogrel. This finding might be due to selection bias and should be interpreted with caution.

Graphic abstract
Less than half of the European dietary recommendations for fish consumption are satisfied by national seafood supplies
Authors: Lofstedt Anneli , de Roos Baukje , Fernandes Paul G.
Published: May 2021

Purpose

To review the seafood dietary recommendations of European countries and compare them to national seafood supplies.

Methods

Current seafood dietary recommendations were collated from national health authorities across Europe. Food balance sheets were downloaded from the FAO, and appropriate conversion factors were applied to each seafood commodity. Average net per capita seafood supplies from 2007 to 2017 were derived from data on imports and production for food from both capture fisheries and aquaculture, accounting for exports.

Results

Both national dietary recommendations and seafood supplies varied considerably throughout Europe. At a national level, on a per capita basis, only 13 out of the 31 of European dietary recommendations for fish consumption were satisfied by national seafood supplies. Most of the countries with coastal access, as well as those with traditional fish-eating cultures, such as France and countries in Northern Europe, had adequate seafood supplies to meet their recommendations. The landlocked countries of Central and Eastern Europe did not have enough seafood supplies to satisfy their recommendations.

Conclusions

Our findings emphasise the need to not only consider consumer health outcomes when developing and advocating dietary recommendations, but also the sustainability of food production systems. As many foods are not necessarily locally sourced but traded as part of global production and distribution systems, it is important to consider greater consistency between national dietary recommendations to facilitate more sustainable marine food systems.
A hybrid $$ H ^1\times H (\mathrm {curl})$$ finite element formulation for a relaxed micromorphic continuum model of antiplane shear
Authors: Sky Adam , Neunteufel Michael , Münch Ingo , Schöberl Joachim , Neff Patrizio
Published: May 2021

One approach for the simulation of metamaterials is to extend an associated continuum theory concerning its kinematic equations, and the relaxed micromorphic continuum represents such a model. It incorporates the Curl of the nonsymmetric microdistortion in the free energy function. This suggests the existence of solutions not belonging to$$ H ^1$$H1, such that standard nodal$$ H ^1$$H1-finite elements yield unsatisfactory convergence rates and might be incapable of finding the exact solution. Our approach is to use base functions stemming from both Hilbert spaces$$ H ^1$$H1and$$ H (\mathrm {curl})$$H(curl), demonstrating the central role of such combinations for this class of problems. For simplicity, a reduced two-dimensional relaxed micromorphic continuum describing antiplane shear is introduced, preserving the main computational traits of the three-dimensional version. This model is then used for the formulation and a multi step investigation of a viable finite element solution, encompassing examinations of existence and uniqueness of both standard and mixed formulations and their respective convergence rates.
Schätzung der Verdunstung mithilfe von Machine- und Deep Learning-Methoden
Authors: Brenner Claire , Frame Jonathan , Nearing Grey , Schulz Karsten
Published: May 2021

Die Verdunstung ist ein entscheidender Prozess im globalen Wasser‑, Energie- sowie Kohlenstoffkreislauf. Daten zur räumlich-zeitlichen Dynamik der Verdunstung sind daher von großer Bedeutung für Klimamodellierungen, zur Abschätzung der Auswirkungen der Klimakrise sowie nicht zuletzt für die Landwirtschaft.

In dieser Arbeit wenden wir zwei Machine- und Deep Learning-Methoden für die Vorhersage der Verdunstung mit täglicher und halbstündlicher Auflösung für Standorte des FLUXNET-Datensatzes an. Das Long Short-Term Memory Netzwerk ist ein rekurrentes neuronales Netzwerk, welchen explizit Speichereffekte berücksichtigt und Zeitreihen der Eingangsgrößen analysiert (entsprechend physikalisch-basierten Wasserbilanzmodellen). Dem gegenüber gestellt werden Modellierungen mit XGBoost, einer Entscheidungsbaum-Methode, die in diesem Fall nur Informationen für den zu bestimmenden Zeitschritt erhält (entsprechend physikalisch-basierten Energiebilanzmodellen). Durch diesen Vergleich der beiden Modellansätze soll untersucht werden, inwieweit sich durch die Berücksichtigung von Speichereffekten Vorteile für die Modellierung ergeben.

Die Analysen zeigen, dass beide Modellansätze gute Ergebnisse erzielen und im Vergleich zu einem ausgewerteten Referenzdatensatz eine höhere Modellgüte aufweisen. Vergleicht man beide Modelle, weist das LSTM im Mittel über alle 153 untersuchten Standorte eine bessere Übereinstimmung mit den Beobachtungen auf. Allerdings zeigt sich eine Abhängigkeit der Güte der Verdunstungsvorhersage von der Vegetationsklasse des Standorts; vor allem wärmere, trockene Standorte mit kurzer Vegetation werden durch das LSTM besser repräsentiert, wohingegen beispielsweise in Feuchtgebieten XGBoost eine bessere Übereinstimmung mit den Beobachtung liefert. Die Relevanz von Speichereffekten scheint daher zwischen Ökosystemen und Standorten zu variieren.

Die präsentierten Ergebnisse unterstreichen das Potenzial von Methoden der künstlichen Intelligenz für die Beschreibung der Verdunstung.
Glucose variability and periodontal disease in type 1 diabetes: a cross-sectional study—The “PAROdontopatia e DIAbete” (PARODIA) project
Authors: Dicembrini Ilaria , Barbato Luigi , Serni Lapo , Caliri Mariasmeralda , Pala Laura , Cairo Francesco , Mannucci Edoardo
Published: May 2021

Aims

Periodontal disease (PD) is a chronic inflammation of periodontal tissue associated with infection from specific anaerobic pathogens contained in dental plaque. Both type 1 and type 2 diabetes are associated with an increased prevalence of PDs. A two-way relationship between diabetes and periodontitis has been proposed, with diabetes increasing the risk for periodontitis, and periodontal inflammation negatively affecting glycaemic control. To date, the relationship between PD and glucose variability in type 1 diabetes has not been evaluated. To investigate the prevalence of PD in patients with type 1 diabetes and its association with glycemic control and glucose variability.

Methods

In this cross-sectional study, all enrolled patients were scheduled to attend both a diabetologic and a periodontal visit. HbA1c, glucose coefficient of variation (CV), loss of clinical attachment (CAL), and periodontal probing depth (PPD) were collected.

Results

136 patients were included in the analysis. The prevalence of PD was 63%. A significant correlation was found between mean CAL and glucose CV (r = 0.31,p = 0.002), but not with HbA1c. Mean PPD was also associated with glucose CV (r = 0.27 and 0.044), but not with HbA1c. In a multiple linear regression model, with mean CAL as dependent variable, age, glucose CV, and smoking habit resulted significantly associated (r = 0.23,p = 0.013;r = 0.33,p = 0.001;r = 0.34,p < 0.001, respectively). Assuming mean PPD as dependent variable, multiple linear regression analysis showed a significant association with glucose CV and smoking habits only.

Conclusions

PD is associated with glucose variability in patients with type 1 diabetes also after adjusting for the main confounders.
Ultrastructural characterization of peripheral denervation in a mouse model of Type III spinal muscular atrophy
Authors: Fulceri Federica , Biagioni Francesca , Limanaqi Fiona , Busceti Carla L. , Ryskalin Larisa , Lenzi Paola , Fornai Francesco
Published: May 2021

Spinal muscular atrophy (SMA) is a heritable, autosomal recessive neuromuscular disorder characterized by a loss of the survival of motor neurons (SMN) protein, which leads to degeneration of lower motor neurons, and muscle atrophy. Despite SMA being nosographically classified as a motor neuron disease, recent advances indicate that peripheral alterations at the level of the neuromuscular junction (NMJ), involving the muscle, and axons of the sensory-motor system, occur early, and may even precede motor neuron loss. In the present study, we used a mouse model of slow progressive (type III) SMA, whereby the absence of the mouse SMN protein is compensated by the expression of two human genes (heterozygousSMN1A2G, andSMN2). This leads to late disease onset and prolonged survival, which allows for dissecting slow degenerative steps operating early in SMA pathogenesis. In this purely morphological study carried out at transmission electron microscopy, we extend the examination of motor neurons and proximal axons towards peripheral components, including distal axons, muscle fibers, and also muscle spindles. We document remarkable ultrastructural alterations being consistent with early peripheral denervation in SMA, which may shift the ultimate anatomical target in neuromuscular disease from the spinal cord towards the muscle. This concerns mostly mitochondrial alterations within distal axons and muscle, which are quantified here through ultrastructural morphometry. The present study is expected to provide a deeper knowledge of early pathogenic mechanisms in SMA.
Altered gut microbiota correlates with cognitive impairment in Chinese children with Down’s syndrome
Authors: Ren Shimeng , Wang Xinjuan , Qin Jiong , Mu Qing , Ye Shuai , Zhang Yang , Yu Weidong , Guo Jingzhu
Published: May 2021

Down's syndrome (DS), a common chromosomal disease caused by chromosome 21 trisomy, is the main cause of cognitive impairment in children worldwide. Emerging evidence suggests that the microbiota–gut–brain axis plays a potential role in cognitive impairment. However, data regarding gut microbiota alterations in DS patients remain scarce, especially data from children with DS. This case–control study was conducted to explore the gut microbiota composition in Chinese DS children. Additionally, the potential association between gut microbiota and cognitive function in DS was evaluated. Microbiota communities in the feces of 15 DS subjects and 15 matched controls were investigated using high-throughput Illumina Miseq sequencing targeting the V3–V4 region of 16S rRNA gene. The relationships between gut microbiota composition and DS cognitive function scores were analyzed. The structure and richness of the gut microbiota differed between DS patients and healthy controls. The abundance of Acidaminococcaceae was decreased in DS patients. Moreover, the Kyoto Encyclopedia of Genes and Genomes analysis showed increased modules related to peptidases and pyrimidine metabolism. Overall, we confirmed that gut microbiota alterations occurred in Chinese patients with DS. Additionally, the fecal microbiota was closely related to DS cognitive impairment. Larger cohorts are needed to confirm these findings and to clarify the mechanisms involved. Elucidating these novel findings in the field of microbiota-gut-brain axis will provide a promising strategy for future studies of DS cognitive impairment.
Entry regulations and optimal prize allocation in parallel contests
Authors: Grossmann Martin
Published: May 2021

In parallel contests, the contest organizer controls the entry of heterogeneous contestants by regulating access to the contests and determining the prize allocation across contests. The organizer can prevent a contestant from entering more than one contest. I show that the organizer allows entry to multiple contests and uniquely sets identical prizes across contests to maximize aggregate effort in all contests. Independent of the entry regulation, I find no sorting effects. Thus, a contest with a relatively high prize does not necessarily attract contestants with higher abilities. Furthermore, I discover interesting spillover effects of prizes between contests in the case of restricted entry regulations. For instance, the individual (aggregate) effort increases (decreases) in a contest if the prize in another contest increases. The endogeneity of contestants’ participation drives many of these results.
Duration of the final phase of mining area deformation process in the conditions of Upper Silesia (Poland)
Authors: Strzałkowski Piotr
Published: May 2021

The ability to estimate the duration of mining impact on the surface is important for both active and decommissioned mines. It allows to plan rational land development and to assess the time of exploitation impact on buildings. The data concerns cases of exploitation with roof caving in 20 hard coal mines in Upper Silesia and cases of exploitation with hydraulic stowing in 4 mines. Based on the analysis of geological and mining documentation, the duration of the final stage of the subsidence process was established — from the end of mining operations to the final stage of the subsidence. It was assumed that the subsidence reached its final state when the increments between two consecutive measurements did not exceed 10 mm. Further analyses were carried out using the regression method using the Statistica program, looking for the relationship between the duration of the final phase of the subsidence process and the quantities characterizing the operating conditions. The obtained results indicate a significant impact of the depth of exploitation and the value of the parameter characterizing the rock mass strength properties on the duration of the final phase of the deformation process. As a result of statistical analyses, appropriate empirical formulas were proposed. In the case of performing exploitation with caving and when the variation in the value of tgβ parameter characterizing the rock mass is small, which currently occurs in the considered basin, one can use the proposed formula, linking the duration of the process with the depth of mining exploitation.
Konjunktur der Bundesländer: große Unterschiede, aber wenig aussagefähige Daten
Authors: Döhrn Roland
Published: May 2021

Im März 2021 legte der Arbeitskreis der Volkswirtschaftlichen Gesamtrechnungen der Länder die ersten Berechnungen zur Wirtschaftsleistung der Länder für 2020 vor. Es zeigen sich auch in der Corona-Krise deutliche Unterschiede zwischen den Ländern. Die Gründe hierfür sind vielfältig. Jedoch müssen diese vorläufigen Zahlen mit Vorsicht interpretiert werden, da die folgenden Revisionen die Positionen der Länder verändern können, wie der vorliegende Beitrag verdeutlicht.
Mehr Kooperation von Start-ups und Mittelstand als Chance für Digitalisierung und Innovationen
Authors: Röhl Klaus-Heiner , Engels Barbara
Published: May 2021

Die Corona-Krise hat die Defizite Deutschlands in der Digitalisierung von Wirtschaft und Gesellschaft schlagartig offengelegt. Die Zusammenarbeit von etabliertem Mittelstand und innovativen Start-ups — oft mit digitalen Geschäftsmodellen — bietet dabei große Chancen für die Beteiligten und die Wirtschaft insgesamt. Auch könnte das demografiebedingt nachlassende Wachstumspotenzial der deutschen Wirtschaft steigen.
Joint physical custody, parent–child relationships, and children’s psychosomatic problems
Authors: Augustijn Lara
Published: May 2021

Aim

The prevalence of psychosomatic complaints among children and adolescents appears to be increasing. At the same time, the numbers of joint physical custody families are rising across Western countries. This study aimed to investigate the relationship between post-separation care arrangements (joint physical custody vs. sole physical custody) and children’s risks of psychosomatic problems, while considering the potential mediating role of parent–child relationships.

Subject and methods

Based on data from the Family Models in Germany (FAMOD) study, stepwise linear regression models and seemingly unrelated regression models were estimated for a sample of 473 children aged seven to 14 living in either sole physical custody or joint physical custody families.

Results

Children in joint physical custody families reported significantly fewer psychosomatic problems than children in sole physical custody families. Furthermore, living in a joint physical custody arrangement was associated with better parent–child relationships, although only the mother–child relationship was significantly related to children’s psychosomatic complaints, and partially mediated the association between physical custody arrangements and children’s psychosomatic complaints. No corresponding association could be found with respect to the father–child relationship.

Conclusion

The risk of psychosomatic problems was distributed unequally among post-separation families, as children living in joint physical custody arrangements suffered from fewer psychosomatic problems than children living in sole physical custody arrangements. Because part of this association was explained by the quality of the mother–child relationship, children’s relationships with other family members appear to be important factors to consider when seeking to promote children’s health in post-separation care arrangements.
Seismic hazard for the Trans Adriatic Pipeline (TAP). Part 1: probabilistic seismic hazard analysis along the pipeline
Authors: Slejko D. , Rebez A. , Santulin M. , Garcia-Pelaez J. , Sandron D. , Tamaro A. , Civile D. , Volpi V. , Caputo R. , Ceramicola S. , Chatzipetros A. , Daja S. , Fabris P. , Geletti R. , Karvelis P. , Moratto L. , Papazachos C. , Pavlides S. , Rapti D. , Rossi G. , Saraò A. , Sboras S. , Vuan A. , Zecchin M. , Zgur F. , Zuliani D.
Published: May 2021

The design of critical facilities needs a targeted computation of the expected ground motion levels. The Trans Adriatic Pipeline (TAP) is the pipeline that transports natural gas from the Greek-Turkish border, through Greece and Albania, to Italy. We present here the probabilistic seismic hazard analysis (PSHA) that we performed for this facility, and the deaggregation of the results, aiming to identify the dominant seismic sources for a selected site along the Albanian coast, where one of the two main compressor stations is located. PSHA is based on an articulated logic tree of twenty branches, consisting of two models for source, seismicity, estimation of the maximum magnitude, and ground motion. The area with the highest hazard occurs along the Adriatic coast of Albania (PGA between 0.8 and 0.9 g on rock for a return period of 2475 years), while strong ground motions are also expected to the north of Thessaloniki, Kavala, in the southern Alexandroupolis area, as well as at the border between Greece and Turkey. The earthquakes contributing most to the hazard of the test site at high and low frequencies (1 and 5 Hz) and the corresponding design events for the TAP infrastructure have been identified as local quakes withMW6.6 and 6.0, respectively.
Effect of Different Synthesis Approaches on Structural and Thermal Properties of Lanthanide(III) Metal–Organic Frameworks Based on the 1H-Pyrazole-3,5-Dicarboxylate Linker
Authors: Vlasyuk Dmytro , Łyszczek Renata
Published: May 2021

The impact of different synthetic procedures such as: hydrothermal, mechanochemical and precipitation on the structure and thermal properties of coordination polymers of 1H-pyrazole-3,5-dicarboxylic acid (H3pdca) with selected lanthanide ions was determined. The prepared complexes of the general formula: Ln2(Hpdca)3⋅nH2O, where Ln = Eu(III), Nd(III), Tb(III) and Er(III); n = 6 or 7 were fully investigated by: elemental analysis, Energy-Dispersive X-Ray (ED-XRF) and infrared (ATR-FTIR) spectroscopy, powder as well as single-crystal X-ray diffraction methods and thermal analysis (TG-DSC and TG-FTIR) in various atmospheres. It was proved that all used strategies offer high yields of reactions along with crystallinity of the obtained products. The X-ray diffraction methods allowed to conclude that the complexes with the same metal ions exhibit the same crystal structure despite different synthesis routes. On the other hand, the coordination polymers of Eu(III), Tb(III) and Er(III) prepared under different conditions are isomorphous. Only neodymium(III) compounds have a different crystal structure. Thermal stability of the produced complexes was correlated with the synthesis conditions, in particular with the way of energy supply. It was found that the highest thermal stability was exhibited by the complexes prepared under the hydrothermal conditions. Additionally, based on the volatile products of metal complexes decomposition, the mechanism of their pyrolysis was proposed in relation to their structures.
Effective operating room (OR) utilization by performing low-complex surgical procedures during the 2020 corona pandemic
Authors: Vogel Thomas , Schippers Dina , Aldarweesh Balqees , Pergolini Ilaria , Stollreiter Martina , Wagner Klaus , Wilhelm Dirk , Friess Helmut , Kranzfelder Michael
Published: May 2021

Purpose

The SARS-CoV-2 pandemic has almost stopped all elective surgical treatment throughout the world. As operating room (OR) capacities are reduced everywhere to ensure availability of intensive care capacities, especially low-complex surgical procedures are often postponed. These include totally implantable central-venous access ports which are important for the oncologic treatment of cancer patients.

Methods

In our study, we investigated the potential of an outpatient surgical centre (OSC) in terms of workflow effectiveness compared to the central operating room complex (COR) of a university hospital using low-complex surgical procedures as an example. Data of 524 consecutive patients who received a Port-a-cath procedure (422 implantations (80.5%) and 102 explantations (19.5%)) in our department between February 2019 and February 2020 were evaluated.

Results

A total of 277 patients were operated in outpatient surgical centre (OSC), and 247 patients received the procedure in the central OR (COR) complex. Grade II and III complications according to the Clavien–Dindo classification occurred in 5.2% (OSC) and 7.3% (COR) of patients. Incision-to-suture time was significantly quicker in the OSC group (36 vs. 42 min., p < 0.032). Total OR time (01:08 vs. 01:20 h) and preparation-to-incision time were also shorter in the OSC group (12 vs. 17 min., p < 0.002).

Conclusion

In order to ensure effective OR utilization especially in times of the corona pandemic, the use of smaller decentralized OR units, e.g., outpatient surgical centres, for performing low-complex surgical cases is beneficial. Our study revealed shorter total OR and preparation-to-incision times.