bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enzymatic Bromocyclization of α‐ and γ‐Allenols by Chloroperoxidase from Curvularia inaequalis
Authors: Naapuri Janne M. , Wagner Philip K. , Hollmann Frank , Deska Jan 
Published: January 2022

AbstractVanadate‐dependent chloroperoxidase from Curvularia inaequalis catalyzes 5‐endo‐trig bromocyclizations of α‐allenols to produce valuable halofunctionalized furans as versatile synthetic building blocks. In contrast to other haloperoxidases, also the more challenging 5‐exo‐trig halocyclizations of γ‐allenols succeed with this system even though the scope still remains more narrow. Benefitting from the vanadate chloroperoxidase‘s high resiliency towards oxidative conditions, cyclization‐inducing reactive hypohalite species are generated in situ from bromide salts and hydrogen peroxide. Crucial requirements for high conversions are aqueous biphasic emulsions as reaction media, stabilized by either cationic or non‐ionic surfactants.
Mechanism of Diiron Hydrogenase Complexes Controlled by Nature of Bridging Dithiolate Ligand
Authors: Natarajan Mookan , Kumar Naveen , Joshi Meenakshi , Stein Matthias , Kaur‐Ghumaan Sandeep 
Published: January 2022

AbstractBio‐inorganic complexes inspired by hydrogenase enzymes are designed to catalyze the hydrogen evolution reaction (HER). A series of new diiron hydrogenase mimic complexes with one or two terminal tris(4‐methoxyphenyl)phosphine and different μ‐bridging dithiolate ligands and show catalytic activity towards electrochemical proton reduction in the presence of weak and strong acids. A series of propane‐ and benzene‐dithiolato‐bridged complexes was synthesized, crystallized, and characterized by various spectroscopic techniques and quantum chemical calculations. Their electrochemical properties as well as the detailed reaction mechanisms of the HER are elucidated by density functional theory (DFT) methods. The nature of the μ‐bridging dithiolate is critically controlling the reaction and performance of the HER of the complexes. In contrast, terminal phosphine ligands have no significant effects on redox activities and mechanism. Mono‐ or di‐substituted propane‐dithiolate complexes afford a sequential reduction (electrochemical; E) and protonation (chemical; C) mechanism (ECEC), while the μ‐benzene dithiolate complexes follow a different reaction mechanism and are more efficient HER catalysts.
Influence of different amino functional groups on structural, optical, and morphological properties of PMMA and their nanocomposites
Authors: Singh Paramjit , Madhav Hari , Singh Neetika , Jaiswar Gautam , Nishat Nahid 
Published: January 2022

AbstractFunctional polymers have a wide range of applications, that is, biomedical applications, self‐healing polymers, OLED devices, optical applications, etc. due to improved plasticity, ductility, heat resistance, etc. The present study contributed to reinforcing the concept of functionalization to design facile and cost‐effective material with desired properties or tweak the existing properties of polymers. The advancement of this research study provided insight into the effect of different amino functional groups on the optical properties such as UV shielding, morphology, fluorescence, and crystallinity of PMMA. Results indicated that PHNG3 exhibited very strong UV absorption in comparison with other fun‐PMMAs. The chemical shift (δ) at ~3.5 ppm for β‐NH/NH2 and the existence of aromatic protons at ~7.138 to 9.134 ppm confirmed the functionalization of PMMA.
An assessment of long‐range corrected density functional approximations in the calculation of the reduction potentials of Ni(S2C2H2)2, Ni(Se2C2H2)2, Ni(S2C2H2)(N2C2H4), and Ni(Se2C2H2)(N2C2H4) complexes
Authors: Elder Jesse B. , Bushnell Eric A. C. 
Published: January 2022

AbstractHerein an assessment of several long range corrected (LRC) density functional theory (DFT) methods for the calculation of reduction potentials of the ([Ni(X2C2H2)2]n/[Ni(X2C2H2)2]n−1), and ([Ni(X2C2H2)(N2C2H4)]n/[Ni(X2C2H2)(N2C2H4)]n−1) and (where X = S or Se and n = 0, or −1) redox couples was done. From the results the values of ω that provide best agreement with CCSD(T) for the tested LRC DFT methods are 0.05, 0.15, 0.05, and 0.20 bohr−1 for ω‐B97XD, LC‐BLYP, CAM‐B3LYP, and ω‐B97, respectively. With these values the unsigned average in error was 0.12 V with a SD of 0.13 V for ω‐B97XD. For LC‐BLYP, CAM‐B3LYP, and ω‐B97 the unsigned averages in relative errors were 0.12, 0.11, and 0.13 V, respectively, with respective SDs of 0.11, 0.12, and 0.13 V.
Multifocal cryptococcosis diagnosis by peripheral lymph node aspirates in a cat
Authors: Butterfield Sarah , Matthias Charles R. J. , Fenn Joseph , Szladovits Balazs , Crawford Abbe H. 
Published: January 2022

AbstractA 4‐year‐old, female, neutered, domestic shorthair cat presented with a 5‐day history of progressive inappetence, obtundation, vestibular ataxia and tetraparesis. Neurological examination findings on presentation were consistent with a multifocal localisation (central vestibular with cerebellar involvement). Magnetic resonance imaging of the head showed diffuse brain parenchymal swelling, foramen magnum herniation, diffuse meningeal contrast enhancement and lymphadenopathy (enlargement and marked contrast enhancement of the parotid, mandibular and medial retropharyngeal lymph nodes). Fine‐needle aspirates of the retropharyngeal and prescapular lymph nodes showed macrophagic and eosinophilic inflammation with multiple yeast organisms on cytology, consistent with Cryptococcus spp. The cat suffered a cardiopulmonary arrest following diagnosis, suspected secondary to severe brainstem compression. The findings emphasise that systemic cryptococcosis can cause severe clinical signs, including presumptive central nervous system dysfunction, as in this cat. Furthermore, this case adds to the limited descriptions of neurological presentations and imaging findings associated with cryptococcosis in companion animals in the United Kingdom.
Climate Change in the Attention Arena of the Middle Class
Authors: von Storch Hans 
Published: January 2022

AbstractGood intentions by the middle class are not always well guided and do not always lead to measurable or significant results. For example, efforts to limit greenhouse gas emissions may hold broad appeal but can still have negligible impact. Therefore, it is suggested to embark on “Apollo projects”, which bundle the potential and willingness of the middle class. These projects should focus on the development of specific technologies, with economic advantages to support their spread throughout the world. Doing so will harness the middle class in support of greenhouse gas emission reductions in the gigaton-range. Such pan-national projects, for example, could address emission-free ship- or air-propulsion, the electrification of heating or of processes in the chemical industry.
Transurethrale Resektion von Blasentumoren (TUR-B)
Authors: Oswald D. , Pallauf M. , Herrmann T. R. W. , Netsch C. , Becker B. , Lehrich K. , Miernik A. , Schöb D. S. , Sievert K. D. , Gross A. J. , Westphal J. , Lusuardi L. , Deininger S. 
Published: January 2022

ZusammenfassungDie transurethrale Resektion von Blasengewebe (TUR-B) ist für die Diagnostik und Therapie bei Blasentumoren indiziert. Diese werden fragmentiert mittels diathermaler Schlinge abgetragen. Der Wundgrund wird zur Blutstillung koaguliert. Zu achten ist auf eine ausreichende Schnitttiefe, sodass die Detrusormuskulatur erfasst ist. Postoperativ kann zur Rezidivprophylaxe eine intravesikale Single-shot-Chemotherapie verabreicht werden. Methoden zur verbesserten Tumorvisualisation (insbesondere photodynamische Diagnostik) helfen, besonders bei multilokulärem Befund oder Carcinoma in situ (CIS) bessere Detektionsraten zu erreichen sowie das Rezidiv- und Progressionsrisiko zu senken. In Abhängigkeit von der Histologie ergibt sich das weitere Vorgehen: bei nicht muskelinvasivem Blasenkarzinom Nachsorge, adjuvante Instillationstherapie mittels Chemotherapie oder Bacillus Calmette-Guérin (BCG), die Nachresektion („second look TUR-B“), die Frühzystektomie oder bei muskelinvasivem Blasenkarzinom die Zystektomie oder (onkologisch nachrangig) die trimodale Therapie mit erneuter TUR‑B, Radiotherapie und Chemotherapie. Mögliche Komplikationen im Rahmen der TUR‑B sind v. a. Nachblutung mit Blasentamponade, extra- oder intraperitoneale Blasenperforation oder Infektionen des Urogenitaltrakts.
Die ärztliche Leichenschau – Welcher Arzt führt die Untersuchung wann und wo durch?
Authors: Dasch Burkhard 
Published: January 2022

Zusammenfassung
Hintergrund
Bislang existieren nur wenige Untersuchungen zu strukturellen Rahmenbedingungen der ärztlichen Leichenschau.

Material und Methode
Es wurden alle archivierten Todesbescheinigungen der Stadt Münster des Jahres 2017 hinsichtlich des Leichenschauarztes sowie Tag, Uhrzeit und Ort der durchgeführten Leichenschau einer deskriptiven Analyse unterzogen.

Ergebnisse
Insgesamt wurden 3844 Todesbescheinigungen analysiert. Die Rangfolge der Leichenschauenden setzte sich wie folgt zusammen (ambulant/stationär/gesamt; %): Krankenhausärzte (K) 0,0/100/58,6; niedergelassene Ärzte (N) 42,8/0,0/17,7; Palliativmediziner der spezialisierten ambulanten Palliativversorgung (P) 40,7/0,0/16,8; Notärzte (NÄ) 11,3/0,0/4,7; Rechtsmediziner (R) 5,2/0,0/2,2. An Werktagen (W) bzw. Wochenenden/Feiertagen (WF) war die Leichenschau im ambulanten Bereich (1589) von folgenden Ärzten durchgeführt worden (W/WF, %): N (46,5/34,7), P (35,1/54,6), NÄ (11,1/10,5), R (7,4/0,2). Krankenhausärzte führten relativ unabhängig von der Tages- und Nachtzeit die Untersuchung durch, niedergelassene Ärzte präferierten an Werktagen die Zeit von 12:00 bis 15:59 Uhr. Unterteilt nach dem Sterbeort attestierten vorrangig folgende Ärzte die Todesbescheinigung: häusliches Umfeld (578) > N (31,5 %), P (32,4 %), stationäre Pflegeeinrichtungen (726) > N (65,0 %); Hospiz > P (90,4 %); öffentliche Orte > R (52,9 %), NÄ (44,1 %).

Schlussfolgerung
Die ärztliche Leichenschau wurde 2017 in der Stadt Münster am häufigsten von Krankenhausärzten durchgeführt. Im ambulanten Bereich wurde diese Aufgabe zu etwa gleichen Anteilen von niedergelassenen Ärzten und Palliativmedizinern übernommen. Niedergelassene Ärzte präferierten die Mittagszeit zwischen den klassischen Praxisöffnungszeiten zur Durchführung der Leichenschau.
On the monodromy of the deformed cubic oscillator
Authors: Bridgeland Tom , Masoero Davide 
Published: January 2022

AbstractWe study a second-order linear differential equation known as the deformed cubic oscillator, whose isomonodromic deformations are controlled by the first Painlevé equation. We use the generalised monodromy map for this equation to give solutions to the Riemann-Hilbert problems of (Bridgeland in Invent Math 216(1):69–124, 2019) arising from the Donaldson-Thomas theory of the A$$_2$$

2

quiver. These are the first known solutions to such problems beyond the uncoupled case. The appendix by Davide Masoero contains a WKB analysis of the asymptotics of the monodromy map.
Existence of parabolic minimizers to the total variation flow on metric measure spaces
Authors: Buffa Vito , Collins Michael , Camacho Cintia Pacchiano 
Published: January 2022

AbstractWe give an existence proof for variational solutionsuassociated to the total variation flow. Here, the functions being considered are defined on a metric measure space$$({\mathcal {X}}, d, \mu )$$(X,d,μ)satisfying a doubling condition and supporting a Poincaré inequality. For such parabolic minimizers that coincide with a time-independent Cauchy–Dirichlet datum$$u_0$$u0on the parabolic boundary of a space-time-cylinder$$\Omega \times (0, T)$$Ω×(0,T)with$$\Omega \subset {\mathcal {X}}$$Ω⊂Xan open set and$$T > 0$$T>0, we prove existence in the weak parabolic function space$$L^1_w(0, T; \mathrm {BV}(\Omega ))$$Lw1(0,T;BV(Ω)). In this paper, we generalize results from a previous work by Bögelein, Duzaar and Marcellini by introducing a more abstract notion for$$\mathrm {BV}$$BV-valued parabolic function spaces. We argue completely on a variational level.
Structural basis of NLR activation and innate immune signalling in plants
Authors: Maruta Natsumi , Burdett Hayden , Lim Bryan Y. J. , Hu Xiahao , Desa Sneha , Manik Mohammad Kawsar , Kobe Bostjan 
Published: January 2022

AbstractAnimals and plants have NLRs (nucleotide-binding leucine-rich repeat receptors) that recognize the presence of pathogens and initiate innate immune responses. In plants, there are three types of NLRs distinguished by their N-terminal domain: the CC (coiled-coil) domain NLRs, the TIR (Toll/interleukin-1 receptor) domain NLRs and the RPW8 (resistance to powdery mildew 8)-like coiled-coil domain NLRs. CC-NLRs (CNLs) and TIR-NLRs (TNLs) generally act as sensors of effectors secreted by pathogens, while RPW8-NLRs (RNLs) signal downstream of many sensor NLRs and are called helper NLRs. Recent studies have revealed three dimensional structures of a CNL (ZAR1) including its inactive, intermediate and active oligomeric state, as well as TNLs (RPP1 and ROQ1) in their active oligomeric states. Furthermore, accumulating evidence suggests that members of the family of lipase-like EDS1 (enhanced disease susceptibility 1) proteins, which are uniquely found in seed plants, play a key role in providing a link between sensor NLRs and helper NLRs during innate immune responses. Here, we summarize the implications of the plant NLR structures that provide insights into distinct mechanisms of action by the different sensor NLRs and discuss plant NLR-mediated innate immune signalling pathways involving the EDS1 family proteins and RNLs.
Assimilation and extension of particle image velocimetry data of turbulent Rayleigh–Bénard convection using direct numerical simulations
Authors: Bauer C. , Schiepel D. , Wagner C. 
Published: January 2022

Abstract
A novel method for assimilating and extending measured turbulent Rayleigh–Bénard convection data is presented, which relies on the fractional step method also used to solve the incompressible Navier–Stokes equation in direct numerical simulations. Our approach is used to make measured tomographic particle image velocimetry (tomo PIV) fields divergence-free and to extract temperature fields. Comparing the time average of the extracted temperature fields with the temporally averaged temperature field, measured using particle image thermometry in a subdomain of the flow geometry, shows that extracted fields correlate well with measured fields with a correlation coefficient of $$C_{T\tilde{T}}=0.84$$

C

T

T
~

=
0.84

. Additionally, extracted temperature fields as well as divergence-free velocity fields serve as initial fields for subsequent direct numerical simulations with and without feedback which generate small-scale turbulence initially absent in the experimental data. Although the tomo PIV data set was spatially under-resolved and did not include any information on the boundary layers, the here-proposed method successfully generates velocity and temperature fields featuring small-scale turbulence and thermal as well as kinetic boundary layers, without disturbing the large-scale circulation contained in the original experimental data significantly. The latter is underpinned by high vertical and horizontal velocity correlation coefficients—computed from velocity fields averaged in time and horizontal x-direction obtained from the measurement and from the simulation without feedback—of $$C_{v\tilde{v}}=0.92$$

C

v

v
~

=
0.92

and $$C_{w\tilde{w}}=0.91$$

C

w

w
~

=
0.91

representing the large-scale structure. For simulations with feedback, the generated velocity fields resemble the experimental data increasingly well for higher feedback gain values, whereas the temperature fluctuation intensity deviates noticeably from the values obtained from a direct numerical simulation without feedback for gain values $$\alpha \ge 1$$

α
≥
1

. Thus, a feedback gain of $$\alpha =0.1$$

α
=
0.1

was found optimal with correlation coefficients of $$C_{v\tilde{v}}=0.96$$

C

v

v
~

=
0.96

and $$C_{w\tilde{w}}=0.95$$

C

w

w
~

=
0.95

as well as a realistic temperature fluctuation intensity profile. The xt-averaged temperature fields obtained from the direct numerical simulations with and without feedback correlate somewhat less with the extracted temperature field ($$C_{T\tilde{T}}\approx 0.6$$

C

T

T
~

≈
0.6

), which is presumably caused by spatially under-resolved and temporally oscillating initial tomo PIV fields reflected by the extracted temperature field.

Graphical abstract
Response of convective systems to the orbital forcing of the last interglacial in a global nonhydrostatic atmospheric model with and without a convective parameterization
Authors: Chikira Minoru , Yamada Yohei , Abe-Ouchi Ayako , Satoh Masaki 
Published: January 2022

AbstractNonhydrostatic Icosahedral Atmospheric Model (NICAM) coupled with a slab ocean model was applied to a paleoclimate research for the first time. The model was run at a horizontal resolution of 56 km with and without a convective parameterization, given the orbital parameters of the last interglacial (127,000 years before present). The simulated climatological mean-states are qualitatively similar to those in previous studies reinforcing their robustness, however, the resolution of this model enables to represent the narrow precipitation band along the southern edge of the Tibetan Plateau. A particular focus was given to convectively coupled disturbances in our analysis. The simulated results show a greater signal of the Madden–Julian Oscillation and weakening of the moist Kelvin waves. Although the model's representation of the boreal summer intraseasonal oscillation in the present-day simulations is not satisfactory, a significant enhancement of its signal is found in the counterpart of the last interglacial. The density of the tropical cyclones decreases over the western north Pacific, north Atlantic and increases over the south Indian Ocean and south Atlantic. The model's performance is generally better when the convective parameterization is used, but the tropical cyclones are better represented without the convective parameterization. Additional simulations using the low-resolution topography reveals that the better representation of the Tibetan Plateau enhances the boreal summer Asian monsoon and its impact is similar and comparable to that of the orbital parameters over the south Asia and the Indian Ocean.
Non-optimality of conical parts for Newton’s problem of minimal resistance in the class of convex bodies and the limiting case of infinite height
Authors: Lokutsievskiy Lev , Wachsmuth Gerd , Zelikin Mikhail 
Published: January 2022

AbstractWe consider Newton’s problem of minimal resistance, in particular we address the problem arising in the limit if the height goes to infinity. We establish existence of solutions and lack radial symmetry of solutions. Moreover, we show that certain conical parts contained in the boundary of a convex body inhibit the optimality in the classical Newton’s problem with finite height. This result is applied to certain bodies considered in the literature, which are conjectured to be optimal for the classical Newton’s problem, and we show that they are not.
IMPARTER, Phase 1 of an intervention to improve patients’ understanding of gene expression profiling tests in breast cancer
Authors: Fallowfield L. J. , Farewell D. , Jones H. , May S. , Catt S. , Starkings R. , Jenkins V. 
Published: January 2022

Abstract
Purpose
To compare participants’ knowledge about gene expression profiling (GEP) tests and recurrence risks after reading an information leaflet with that following viewing of an information film.

Methods
Using a randomised cross-over design, at time-point one (T1), women aged 45–75 years without breast cancer either read leaflets or watched information films about Oncotype DX or Prosigna tests. Participants answered nine questions assessing knowledge (maximum score 18). Next-day information in the opposite modality was provided and knowledge re-assessed. Additional questions probed which format was easiest to understand, participants’ preferences for film or leaflet and their reasons for these.

Results
120 women participated (60 received OncotypeDX films and leaflets; 60 received the Prosigna versions). T1 mean knowledge scores were higher following film viewing (13.37) compared with that after reading leaflets (9.25) (mean difference 4.1; p < 0.0001; 95% CI 3.2, 5.0). When participants read leaflets first and subsequently viewed films, all increased their scores (mean + 6.08, from T1 of 9.25, p < 0.0001; 95% CI 5.44, 6.72). When films were viewed first, followed by leaflets, (36/60, 60%), participants’ scores declined (mean-1.55 from T1 of 13.37, p < 0.001; 95% CI -2.32, -0.78). A majority of participants expressed preferences for the films (88/120, 73.3%) irrespective as to whether they described OncotypeDX or Prosigna. Reasons included the clarity, ease of understanding, visual material and reassuring voice-over.

Conclusion
Discussions between oncologists and patients about recurrence risk results can be challenging. Information leaflets may aid understanding but often employ complex language. Information films significantly improved knowledge and were preferred by participants.
Evidence for Menopause as a Sex-Specific Risk Factor for Glaucoma
Authors: Douglass Amber , Dattilo Michael , Feola Andrew J. 
Published: January 2022

AbstractGlaucoma is a leading cause of irreversible blindness worldwide and is characterized by progressive loss of visual function and retinal ganglion cells (RGC). Current epidemiological, clinical, and basic science evidence suggest that estrogen plays a role in the aging of the optic nerve. Menopause, a major biological life event affecting all women, coincides with a decrease in circulating sex hormones, such as estrogen. While 59% of the glaucomatous population are females, sex is not considered a risk factor for developing glaucoma. In this review, we explore whether menopause is a sex-specific risk factor for glaucoma. First, we investigate how menopause is defined as a sex-specific risk factor for other pathologies, including cardiovascular disease, osteoarthritis, and bone health. Next, we discuss clinical evidence that highlights the potential role of menopause in glaucoma. We also highlight preclinical studies that demonstrate larger vision and RGC loss following surgical menopause and how estrogen is protective in models of RGC injury. Lastly, we explore how surgical menopause and estrogen signaling are related to risk factors associated with developing glaucoma (e.g., intraocular pressure, aqueous outflow resistance, and ocular biomechanics). We hypothesize that menopause potentially sets the stage to develop glaucoma and therefore is a sex-specific risk factor for this disease.
Graphical Abstract