bluuebunny/crossref_metadata_2025_split huggingface dataset:
Impact of cross‐linker on the structure and hydrophilic–hydrophobic properties of polyhydromethylsiloxane‐derived microspheres
Authors: Mizerska Urszula , Fortuniak Witold , Rubinsztajn Slawomir , Chojnowski Julian 
Published: June 2021

AbstractThe chemical and morphological structure of polyhydromethylsiloxane microspheres obtained at various content of the cross‐linker, which were divinylbenzene and 1,3‐divinyl‐1,1,3,3‐tetramethyldisiloxane, was compared. Increasing the content of cross‐linking agent causes large changes in the structure of the side groups of the polymer and cross‐links between the macromolecules, which strongly influences the surface properties of the resulting microspheres. The hydrophilic–hydrophobic properties of the surface of these microspheres were investigated by evaluating their interaction with the model protein and the hydrophobic dye. The presented procedure provides a simple method of controlling the hydrophilic–hydrophobic properties of siloxane microspheres.
Self‐healing interface of carbon fiber reinforced composites using a thermally reversible sizing agent
Authors: Zhang Xiaoqing , Liu Sihui , He Zhuojian , Lei Caihong 
Published: June 2021

AbstractA thermally reversible sizing agent was prepared by directly mixing the furfurylamine‐modified epoxy resin (FAE) and the maleimide‐functionalized Jeffamine T403 (MAT), and it was used to impart self‐healing ability at interface based on the reversible Diels–Alder reaction for potential application in carbon fiber composites. The surface characteristics of FAE/MAT‐modified carbon fibers were investigated using scanning electron microscopy, Fourier transform infrared spectroscopy, X‐ray photoelectron spectroscopy, and dynamic contact angle meter and tensiometer. The initial interfacial shear strength of modified carbon fiber composites and the multiple healings of the interface were investigated via a microbond test. The results demonstrated that the healing efficiency of the continuous and uniform FAE–MAT sizing layer functionalized carbon fiber composites was up to 93.8% for the first healing cycle. Furthermore, it is expected that the interface self‐healing of carbon fiber reinforced composites can be achieved from research laboratory to industrial applications by this strategy.
Direct Phase‐Transition Catalysed Monohalogenation of 8‐Amidoquinolines at C5 Position in Water
Authors: He Xin , Jiang Yujia , Zhou Haiping , Zhu Qihua 
Published: June 2021

AbstractA novel protocol for the direct halogenation of 8‐amidoquinoline derivatives with phase‐transition was reported. The reactions were promoted by benzyltriethylammonium chloride and dihalogenated hydantoin, using exclusively water as the solvent and achieving the C5‐halogenation products of amidoquinolines in moderated to excellent yields at room temperature.
Experimental Study of Poly(1‐Acetamide‐3‐vinylimidazolium Bromide) as a Corrosion Inhibitor for N80 Carbon Steel in HCl
Authors: Kong Minjian , Meng Yan , Fan Lei , Yin Chengxian , Chen Qibin , Liu Honglai 
Published: June 2021

AbstractA poly(ionic liquid) (PIL), poly(1‐acetamide‐3‐vinylimidazolium bromide) (PCVIB), was investigated as a potential hydrochloric acid corrosion inhibitor for N80 carbon steel (N80‐CS) at 25 °C. In this work, the corrosion inhibition properties of PCVIB were monitored using weight loss, potential dynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), scanning electron microscopy (SEM) and X‐ray photoelectron spectroscopy (XPS). Results show that the maximum inhibition efficiency (IE, η) of PCVIB can reach up to 95.8 %, whereas its monomer only exhibits a low IE of η=33.6 % under the same conditions. Moreover, PCVIB is characteristic of a mixed type inhibitor, which can effectively impede both cathodic hydrogen evolutions and metal dissolution reactions. Additionally, the adsorption of PCVIB on steel surfaces obeys the Langmuir adsorption isotherm. This finding implies that the polymerization can be a viable and facile method to create the high‐efficiency inhibitor from monomeric units that were found or used with the poor IE previously.
The ezSpectra suite: An easy‐to‐use toolkit for spectroscopy modeling
Authors: Gozem Samer , Krylov Anna I. 
Published: June 2021

AbstractA molecule's spectrum encodes information about its structure and electronic properties. It is a unique fingerprint that can serve as a molecular ID. Quantum chemistry calculations provide key ingredients for interpreting spectra, but modeling the spectra rarely ends there; it requires additional steps that entail combined treatments of electronic and nuclear degrees of freedom and account for specifics of the experimental setup (light energy, polarization, averaging over molecular orientations, temperature, etc.). This Software Focus article describes the ezSpectra suite, which currently comprises two stand‐alone open‐source codes: ezFCF and ezDyson. ezFCF calculates Franck–Condon factors, which yield vibrational progressions for polyatomic molecules, within the double‐harmonic approximation. ezDyson calculates absolute cross‐sections for photodetachment/photoionization processes and photoelectron angular distributions using Dyson orbitals computed by a quantum chemistry program.This article is categorized under:
Electronic Structure Theory > Ab Initio Electronic Structure Methods
Theoretical and Physical Chemistry > Spectroscopy
Software > Simulation Methods
Existence of a supersymmetric massless ground state of the SU(N) matrix model globally on its valleys
Authors: Boulton Lyonell , del Moral María Pilar García , Restuccia Alvaro 
Published: June 2021

Abstract
In this work we consider the existence and uniqueness of the ground state of the regularized Hamiltonian of the Supermembrane in dimensions D = 4, 5, 7 and 11, or equivalently the SU(N) Matrix Model. That is, the 0+1 reduction of the 10-dimensional SU(N) Super Yang-Mills Hamiltonian. This ground state problem is associated with the solutions of the inner and outer Dirichlet problems for this operator, and their subsequent smooth patching (glueing) into a single state. We have discussed properties of the inner problem in a previous work, therefore we now investigate the outer Dirichlet problem for the Hamiltonian operator. We establish existence and uniqueness on unbounded valleys defined in terms of the bosonic potential. These are precisely those regions where the bosonic part of the potential is less than a given value V0, which we set to be arbitrary. The problem is well posed, since these valleys are preserved by the action of the SU(N) constraint. We first show that their Lebesgue measure is finite, subject to restrictions on D in terms of N. We then use this analysis to determine a bound on the fermionic potential which yields the coercive property of the energy form. It is from this, that we derive the existence and uniqueness of the solution. As a by-product of our argumentation, we show that the Hamiltonian, restricted to the valleys, has spectrum purely discrete with finite multiplicity. Remarkably, this is in contrast to the case of the unrestricted space, where it is well known that the spectrum comprises a continuous segment. We discuss the relation of our work with the general ground state problem and the question of confinement in models with strong interactions.
Non-abelian infrared divergences on the celestial sphere
Authors: Magnea Lorenzo 
Published: June 2021

Abstract
We consider the infrared factorisation of non-abelian multi-particle scattering amplitudes, and we study the form of the universal colour operator responsible for infrared divergences, when expressed in terms of coordinates on the ‘celestial sphere’ intersecting the future light-cone at asymptotic distances. We find that colour-dipole contributions to the infrared operator, to all orders in perturbation theory, have a remarkably simple expression in these coordinates, with scale and coupling dependence factorised from kinematics and colour. Generalising earlier suggestions in the abelian theory, we then show that the infrared operator can be computed as a correlator of vertex operators in a conformal field theory of Lie-algebra-valued free bosons on the celestial sphere. We verify by means of the OPE that the theory correctly predicts the all-order structure of collinear limits, and the tree-level factorisation of soft real radiation.
Gravitational breathing memory and dual symmetries
Authors: Seraj Ali 
Published: June 2021

Abstract
Brans-Dicke theory contains an additional propagating mode which causes homogeneous expansion and contraction of test bodies in transverse directions. This “breathing” mode is associated with novel memory effects in addition to those of general relativity. Standard tensor mode memories are related to a symmetry principle: they are determined by the balance equations corresponding to the BMS symmetries. In this paper, we show that the leading and subleading breathing memory effects are determined by the balance equations associated with the leading and “overleading” asymptotic symmetries of a dual formulation of the scalar field in terms of a two-form gauge field. The memory effect causes a transition in the vacuum of the dual gauge theory. These results highlight the significance of dual charges and the physical role of overleading asymptotic symmetries.
Determination of the charm quark mass in lattice QCD with 2 + 1 flavours on fine lattices
Authors: Heitger Jochen , Joswig Fabian , Kuberski Simon 
Published: June 2021

AbstractWe present a determination of the charm quark mass in lattice QCD with three active quark flavours. The calculation is based on PCAC masses extracted fromNf= 2 + 1 flavour gauge field ensembles at five different lattice spacings in a range from 0.087 fm down to 0.039 fm. The lattice action consists of the O(a) improved Wilson-clover action and a tree-level improved Symanzik gauge action. Quark masses are non-perturbatively O(a) improved employing the Symanzik-counterterms available for this discretisation of QCD. To relate the bare mass at a specified low-energy scale with the renormalisation group invariant mass in the continuum limit, we use the non-pertubatively known factors that account for the running of the quark masses as well as for their renormalisation at hadronic scales. We obtain the renormalisation group invariant charm quark mass at the physical point of the three-flavour theory to beMc= 1486(21) MeV. Combining this result with five-loop perturbation theory and the corresponding decoupling relations in the$$ \overline{\mathrm{MS}} $$MS¯scheme, one arrives at a result for the renormalisation group invariant charm quark mass in the four-flavour theory ofMc(Nf= 4) = 1548(23) MeV, where effects associated with the absence of a charmed, sea quark in the non-perturbative evaluation of the QCD path integral are not accounted for. In the$$ \overline{\mathrm{MS}} $$MS¯scheme, and at finite energy scales conventional in phenomenology, we quote$$ {m}_{\mathrm{c}}^{\overline{\mathrm{MS}}} $$mcMS¯($$ {m}_{\mathrm{c}}^{\overline{\mathrm{MS}}} $$mcMS¯;Nf= 4) = 1296(19) MeV and$$ {m}_{\mathrm{c}}^{\overline{\mathrm{MS}}} $$mcMS¯(3 GeV;Nf= 4) = 1007(16) MeV for the renormalised charm quark mass.
Thermodynamic limit of Nekrasov partition function for 5-brane web with O5-plane
Authors: Li Xiaobin , Yagi Futoshi 
Published: June 2021

Abstract
In this paper, we study 5d $$ \mathcal{N} $$
N
= 1 Sp(N) gauge theory with Nf (≤ 2N + 3) flavors based on 5-brane web diagram with O5-plane. On the one hand, we discuss Seiberg-Witten curve based on the dual graph of the 5-brane web with O5-plane. On the other hand, we compute the Nekrasov partition function based on the topological vertex formalism with O5-plane. Rewriting it in terms of profile functions, we obtain the saddle point equation for the profile function after taking thermodynamic limit. By introducing the resolvent, we derive the Seiberg-Witten curve and its boundary conditions as well as its relation to the prepotential in terms of the cycle integrals. They coincide with those directly obtained from the dual graph of the 5-brane web with O5-plane. This agreement gives further evidence for mirror symmetry which relates Nekrasov partition function with Seiberg-Witten curve in the case with orientifold plane and shed light on the non-toric Calabi-Yau 3-folds including D-type singularities.
Electrophysiology of ionotropic GABA receptors
Authors: Sallard Erwan , Letourneur Diane , Legendre Pascal 
Published: June 2021

AbstractGABAA receptors are ligand-gated chloride channels and ionotropic receptors of GABA, the main inhibitory neurotransmitter in vertebrates. In this review, we discuss the major and diverse roles GABAA receptors play in the regulation of neuronal communication and the functioning of the brain. GABAA receptors have complex electrophysiological properties that enable them to mediate different types of currents such as phasic and tonic inhibitory currents. Their activity is finely regulated by membrane voltage, phosphorylation and several ions. GABAA receptors are pentameric and are assembled from a diverse set of subunits. They are subdivided into numerous subtypes, which differ widely in expression patterns, distribution and electrical activity. Substantial variations in macroscopic neural behavior can emerge from minor differences in structure and molecular activity between subtypes. Therefore, the diversity of GABAA receptors widens the neuronal repertoire of responses to external signals and contributes to shaping the electrical activity of neurons and other cell types.
Expression and function of Smad7 in autoimmune and inflammatory diseases
Authors: Hu Yiping , He Juan , He Lianhua , Xu Bihua , Wang Qingwen 
Published: June 2021

AbstractTransforming growth factor-β (TGF-β) plays a critical role in the pathological processes of various diseases. However, the signaling mechanism of TGF-β in the pathological response remains largely unclear. In this review, we discuss advances in research of Smad7, a member of the I-Smads family and a negative regulator of TGF-β signaling, and mainly review the expression and its function in diseases. Smad7 inhibits the activation of the NF-κB and TGF-β signaling pathways and plays a pivotal role in the prevention and treatment of various diseases. Specifically, Smad7 can not only attenuate growth inhibition, fibrosis, apoptosis, inflammation, and inflammatory T cell differentiation, but also promotes epithelial cells migration or disease development. In this review, we aim to summarize the various biological functions of Smad7 in autoimmune diseases, inflammatory diseases, cancers, and kidney diseases, focusing on the molecular mechanisms of the transcriptional and posttranscriptional regulation of Smad7.
Bildgebung von Lebertumoren im Kindes- und Jugendalter
Authors: Tschauner S. , Riccabona M. 
Published: June 2021

Zusammenfassung
Hintergrund
Kindliche Lebertumoren sind relativ selten, aber die Kenntnisse über ihre bildgebende Diagnostik nicht weniger wichtig.

Fragestellung
Häufigkeit und Bildmorphologie benigner und maligner Raumforderungen der Leber im Kindesalter.

Material und Methode
Aufbereitung der einschlägigen Originalarbeiten, Übersichtsarbeiten und Expertenempfehlungen betreffend die Bildgebung kindlicher Lebertumoren.

Ergebnisse
Die häufigsten bösartigen Lebertumoren sind das meist bei Kleinkindern auftretende Hepatoblastom sowie in manchen Regionen auch das hepatozelluläre Karzinom. Ihre Bildmorphologie ist im Gegensatz zu manchen benignen Raumforderungen, wie beispielsweise der fokalen nodulären Hyperplasie, simplen Zysten oder Steatosearealen, wenig charakteristisch. Radiologisch kommen üblicherweise die Sonographie und die Magnetresonanztomographie (MRT) zum Einsatz. Beide Methoden profitieren von einer intravenösen Kontrastmittelgabe.

Schlussfolgerung
Kindliche Lebertumoren weisen ein breites morphologisches Spektrum auf. Manche Entitäten lassen sich mittels Bildgebung charakterisieren, manche benötigen eine multimodale Bildgebung oder eine histologische Begutachtung. Neben den bildmorphologischen Kriterien spielen insbesondere auch Alter, Laborparameter und Anamnese eine wichtige Rolle in der Diagnosefindung.
Amplicon-sequencing of raw milk microbiota: impact of DNA extraction and library-PCR
Authors: Siebert Annemarie , Hofmann Katharina , Staib Lena , Doll Etienne V. , Scherer Siegfried , Wenning Mareike 
Published: June 2021

Abstract
The highly complex raw milk matrix challenges the sample preparation for amplicon-sequencing due to low bacterial counts and high amounts of eukaryotic DNA originating from the cow. In this study, we optimized the extraction of bacterial DNA from raw milk for microbiome analysis and evaluated the impact of cycle numbers in the library-PCR. The selective lysis of eukaryotic cells by proteinase K and digestion of released DNA before bacterial lysis resulted in a high reduction of mostly eukaryotic DNA and increased the proportion of bacterial DNA. Comparative microbiome analysis showed that a combined enzymatic and mechanical lysis procedure using the DNeasy® PowerFood® Microbial Kit with a modified protocol was best suitable to achieve high DNA quantities after library-PCR and broad coverage of detected bacterial biodiversity. Increasing cycle numbers during library-PCR systematically altered results for species and beta-diversity with a tendency to overrepresentation or underrepresentation of particular taxa. To limit PCR bias, high cycle numbers should thus be avoided. An optimized DNA extraction yielding sufficient bacterial DNA and enabling higher PCR efficiency is fundamental for successful library preparation. We suggest that a protocol using ethylenediaminetetraacetic acid (EDTA) to resolve casein micelles, selective lysis of somatic cells, extraction of bacterial DNA with a combination of mechanical and enzymatic lysis, and restriction of PCR cycles for analysis of raw milk microbiomes is optimal even for samples with low bacterial numbers.

Key points
• Sample preparation for high-throughput 16S rRNA gene sequencing of raw milk microbiota.
• Reduction of eukaryotic DNA by enzymatic digestion.
• Shift of detected microbiome caused by high cycle numbers in library-PCR.
Impact of Inter‐Hospital Transfer on Outcomes in Patients Undergoing Emergency Abdominal Surgery: A Tertiary Referral Center's Perspective
Authors: Lavanchy Joël L. , Dubuis Jean‐Baptiste , Osterwalder Alice , Winterhalder Sebastian , Haltmeier Tobias , Candinas Daniel , Schnüriger Beat 
Published: June 2021

AbstractBackgroundIn trauma patients, the impact of inter‐hospital transfer has been widely studied. However, for patients undergoing emergency abdominal surgery (EAS), the effect of inter‐hospital transfer on outcomes is largely unknown.MethodsThis is a single‐center, retrospective observational study. Outcomes of transferred patients undergoing EAS were compared to patients primarily admitted to a tertiary care hospital from 01/2016 to 12/2018 using univariable and multivariable analyses. The primary outcome was in‐hospital mortality.ResultsSome 973 patients with a median (IQR) age of 58.1 (39.4–72.2) years and a median body mass index of 25.8 (22.5–29.3) kg/m2 were included. The transfer group comprised 258 (26.3%) individuals and the non‐transfer group 715 (72.7%). The population was stratified in three subgroups: (1) patients with low surgical stress (n = 483, 49.6%), (2) with hollow viscus perforation (n = 188, 19.3%) and (3) with potential bowel ischemia (n = 302, 31.1%). Neither in the low surgical stress nor in the hollow viscus perforation group was the transfer status associated with mortality. However, in the potential bowel ischemia group inter‐hospital transfer was a predictor for mortality (OR 3.54, 95%CI 1.03–12.12, p = 0.045). Moreover, in the hollow viscus perforation group inter‐hospital transfer was a predictor for reduced hospital length of stay (RC ‐10.02, 95%CI −18.14/−1.90, p = 0.016) and reduced severe complications (OR 0.38, 95%CI 0.18–0.77, p = 0.008).ConclusionOther than in patients with low surgical stress or hollow viscus perforation, in patients with potential bowel ischemia inter‐hospital transfer was an independent predictor for higher mortality. Taking into account the time sensitiveness of bowel ischemia, efforts should be made to avoid inter‐hospital transfer in this vulnerable subgroup of patients.
Evolutionary morphology of the antennal heart in stick and leaf insects (Phasmatodea) and webspinners (Embioptera) (Insecta: Eukinolabia)
Authors: Wipfler Benjamin , Bradler Sven , Büsse Sebastian , Hammel Jörg , Müller Bernd R. , Pass Günther 
Published: June 2021

AbstractThe morphology of the antennal hearts in the head of Phasmatodea and Embioptera was investigated with particular reference to phylogenetically relevant key taxa. The antennal circulatory organs of all examined species have the same basic construction: they consist of antennal vessels that are connected to ampullae located in the head near the antenna base. The ampullae are pulsatile due to associated muscles, but the points of attachment differ between the species studied. All examined Phasmatodea species have a Musculus (M.) interampullaris which extends between the two ampullae plus a M. ampulloaorticus that runs from the ampullae to the anterior end of the aorta; upon contraction, all these muscles dilate the lumina of both ampullae at the same time. In Embioptera, only the australembiid Metoligotoma has an M. interampullaris. All other studied webspinners instead have a M. ampullofrontalis which extends between the ampullae and the frontal region of the head capsule; these species do not have M. ampulloaorticus. Outgroup comparison indicates that an antennal heart with a M. interampullaris is the plesiomorphic character state among Embioptera and the likely ground pattern of the taxon Eukinolabia. Antennal hearts with a M. ampullofrontalis represent a derived condition that occurs among insects only in some embiopterans. These findings help to further clarify the controversially discussed internal phylogeny of webspinners by supporting the view that Australembiidae are the sister group of the remaining Embioptera.