bluuebunny/crossref_metadata_2025_split 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

AbstractTwo 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

AbstractThe 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

ZusammenfassungWenn 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

Abstract
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

AbstractThis 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

Abstract
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

AbstractBackgroundAnemia 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 MethodsThe 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 DiscussionIn 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).ConclusionOur 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

AbstractArctic 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

AbstractMale 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

AbstractWe 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

Abstract
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

AbstractDensity 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