bluuebunny/crossref_metadata_2025_split huggingface dataset:
M-Sign in Middle Cerebral Artery Doppler Waveforms: A Sign of Fetal Vasoconstriction Before and After Open Fetal Spina Bifida Repair
Authors: Vonzun Ladina , Gonser Markus , Moehrlen Ueli , Mazzone Luca , Meuli Martin , Kandler Lukas , Wille David , Kraehenmann Franziska , Zimmermann Roland , Ochsenbein-Kölble Nicole 
Published: February 2022

Abstract
Background Increased pulse wave reflection in the fetal arterial
system, illustrated by a second systolic peak (M-sign) in middle cerebral artery (MCA) Doppler
waveforms, allows interpretation of fetal systemic vasoconstriction. Little is known about
fetal vascular regulation during fetal spina bifida (fSB) repair. Therefore, the aim of this
study was to analyze MCA-Doppler waveform changes before, during, and after fSB repair. Patients and Methods 31 pregnant women who underwent fSB repair were
included. Fetal MCA-Doppler waveforms were prospectively analyzed before, during and after
fSB repair, and categorized as follows: normal systolic downslope, systolic shoulder, second
systolic peak (M-sign), and concave systolic downslope. These MCA waveforms were related to
maternal and fetal characteristics, to anesthetic medication, and to umbilical artery (UA)
waveforms. Results Before fSB repair, all fetuses repeatedly
presented M-signs. After initiation of desflurane for general anesthesia, systolic shoulder
and the M-sign vanished in 24/31 (78%) fetuses and 19/31 (61%) showed transient UA ARED
flow. A significant association between these two Doppler findings was found (p=0.007). After
fSB repair, signs of increased pulse wave reflection reappeared but resolved over time (23
days ± 20, SD) in all fetuses. Conclusion Both fSB and intrauterine
repair influence fetal vascular regulation. This phenomenon can be illustrated by MCA-Doppler
waveforms. While anesthetic agents transiently eliminated M-signs and often provoked a UA ARED
flow, fSB repair finally led to normalization of MCA-Doppler waveforms indicating return to
normal fetal vascular regulation.
Impact of surgical versus endoscopic management of complex nonmalignant polyps in a colorectal cancer screening program
Authors: Buskermolen Maaike , Naber Steffie K. , Toes-Zoutendijk Esther , van der Meulen Miriam P. , van Grevenstein Wilhelmina M. U. , van Leerdam Monique E. , Spaander Manon C. W. , Lansdorp-Vogelaar Iris 
Published: February 2022

Abstract
Background When complex nonmalignant polyps are detected in colorectal cancer (CRC) screening programs, patients may be referred directly to surgery or may first undergo additional endoscopy for attempted endoscopic removal by an expert. We compared the impact of both strategies on screening effectiveness and costs.
Methods We used MISCAN-Colon to simulate the Dutch screening program, and projected CRC deaths prevented, quality-adjusted life-years (QALYs) gained, and costs for two scenarios: 1) surgery for all complex nonmalignant polyps; 2) attempted removal by an expert endoscopist first. We made the following assumptions: 3.9 % of screen-detected large nonmalignant polyps were complex; associated surgery mortality was 0.7 %; the rate of successful removal by an expert was 87 %, with 0.11 % mortality.
Results The screening program was estimated to prevent 11.2 CRC cases (–16.7 %) and 10.1 CRC deaths (–27.1 %), resulting in 32.9 QALYs gained (+ 17.2 %) per 1000 simulated individuals over their lifetimes compared with no screening. The program would also result in 2.1 surgeries for complex nonmalignant polyps with 0.015 associated deaths per 1000 individuals. If, instead, these patients were referred to an expert endoscopist first, only 0.2 patients required surgery, reducing associated deaths by 0.013 at the expense of 0.003 extra colonoscopy deaths. Compared with direct referral to surgery, referral to an expert endoscopist gained 0.2 QALYs and saved €12 500 per 1000 individuals in the target population.
Conclusion Referring patients with complex polyps to an expert endoscopist first reduced some surgery-related deaths while substantially improving cost-effectiveness of the screening program.
Functionalized d- and l-Arabino-Pyrrolidines as Potent and Selective Glycosidase Inhibitors
Authors: Lindbäck Emil , Sydnes Magne O. , Haarr Marianne B. , Lopéz Óscar , Fernández-Bolaños Jóse G. 
Published: February 2022

AbstractThe efficient synthesis of enantiomeric pairs of iminosugars including 1,4-dideoxy-1,4-imino-d-arabinitol (DAB) and 1,4-dideoxy-1,4-imino-l-arabinitol (LAB) analogues with an amidine, hydrazide, hydrazide imide, or amide oxime moiety is described. The preparation of DAB and LAB analogues commenced from l-xylose and d-xylose, respectively. The obtained iminosugars are tested against a panel of glycosidases with pharmaceutical relevance, revealing enhanced activity for the DAB analogues in comparison with the LAB analogues. In particular, the d-arabino-configured amidine behaved as a potent (submicromolar range) and selective inhibitor of α-mannosidase.
From Ring-Expansion to Ring-Contraction: Synthesis of γ-Lactones from Cyclobutanols and Relative Stability of Five- and Six-Membered Endoperoxides toward Organic Bases
Authors: Ferrié Laurent , Jamey Nicolas 
Published: February 2022

AbstractCyclobutanols undergo ring expansion with molecular oxygen in the presence of Co(acac)2 to afford 1,2-dioxane-hemiperoxyketals. In the course of acylation, we observed that endoperoxides rearranged into γ-lactone in the presence of triethylamine. Thus, a generalization of this ring contraction through a Kornblum–DeLaMare rearrangement is here reported. Application of this transformation to monosubstituted 1,2-dioxane derivatives also led to 1,4-ketoaldehydes, in proportions depending on the nature of the substituent. These same conditions applied to five-membered dioxolane analogues led to fragmentation instead, through a retro-aldol type process. This study emphasizes the difference of stability of 1,2-dioxane and 1,2-dioxolane against organic bases, 1,2-dioxolanes having proved to be particularly reactive whereas 1,2-dioxanes showed a relative tolerance under these conditions.
Adjunctive Middle Turbinectomy for Endoscopic Medial Orbital Wall – Thyroid Eye Disease Decompression
Authors: Tooley Andrea A. , Kim Matthew , Tran Ann Q. , Kazim Michael , Gudis David A. 
Published: February 2022

Abstract
Introduction Middle turbinate resection (MTR) is commonly performed during endonasal endoscopic sinus and skull base surgery.
Objective The purpose of this study was to characterize the additional orbital soft-tissue volume expansion during endoscopic medial orbital wall decompression with adjunctive MTR.
Methods A retrospective review of patients who underwent endoscopic medial wall decompression with MTR was performed. The imaging software AW (GE Healthcare, Chicago, IL, USA) was used to overlay pre and postoperative orbital computed tomography (CT) images to visualize the preoperative position of the middle turbinate and the postoperative orbital soft tissue in the ethmoid bed. The imaging software Vitrea (Vital Images Inc., Minnetonka, MN, USA) was used to manually segment postoperative scans to determine the volume of orbital tissue which had filled the space previously occupied by the middle turbinate or medial to it.
Results Nine orbits from 5 patients were included in this study; all patients were female with a history of hyperthyroidism. The average age was 55.6 years (range 32–74). Of the 9 orbits, 7 (78%) had orbital soft tissue within the space of the resected middle turbinate postoperatively. The average volume of orbital tissue within or medial to this space was 0.83 +/− 0.67 cc. No patients had any postoperative complications.
Conclusions In this patient cohort, adjunctive middle turbinate resection for endoscopic medial orbital wall decompression added ∼ 0.83 cc of volume for orbital soft tissue after medial wall decompression. Middle turbinate resection is a useful adjunct to the orbital surgeon's armamentarium to augment the results of a medial orbital decompression for select patients.
Bacterial Spectrum and Infective Foci in Patients Operated for Infective Endocarditis: Time to Rethink Strategies?
Authors: Schulze Marco H. , Niehaus Heidi , Saha Shekhar , Dudakova Anna , Danner Bernhard C. , Kutschka Ingo 
Published: February 2022

Abstract
Objective The rising incidence of infective endocarditis (IE) accompanied by the de-escalation of antibiotic prophylaxis and the complexity of surgical treatment makes IE a daunting foe. We reviewed all patients who underwent cardiac surgery for IE at our institution with a focus on causative organisms and infective foci.
Methods A review of 3,952 consecutive patients who underwent cardiac surgery at our institution between January 2013 and December 2017 revealed 160 patients (4%) who were operated for IE.
Results The predominantly affected valves were the aortic (30%) and mitral valve (26.9%) as well as a combination of both (8.8%). A total of 28.8% of patients suffered from prosthetic valve endocarditis (PVE). The most frequently identified causative organisms were Staphylococcus (45.7%), Streptococcus (27.5%), and Enterococcus species (16.7%), which was predominantly associated with PVE (p = 0.050). In 13.1% of patients, a causative organism has not been detected. The most frequent infective foci were dental (15%), soft-tissue infections (15%), spondylodiscitis (10%), and infected intravascular implants (8.8%). Relevant predisposing factors were immunosuppression (9.4%) and intravenous drug abuse (4.4%). Septic cerebral infarctions were diagnosed in 28.8% of patients. Postoperative mortality was 22.5%.
Conclusions As the bacterial spectrum and the infective foci are still the “old acquaintances,” and with regard to the increasing incidence of IE, current risk–benefit evaluations concerning antibiotic prophylaxis may need to be revisited.
Real-space density kernel method for Kohn–Sham density functional theory calculations at high temperature
Authors: Xu Qimen , Jing Xin , Zhang Boqin , Pask John E. , Suryanarayana Phanish 
Published: February 2022

Kohn–Sham density functional theory calculations using conventional diagonalization based methods become increasingly expensive as temperature increases due to the need to compute increasing numbers of partially occupied states. We present a density matrix based method for Kohn–Sham calculations at high temperatures that eliminates the need for diagonalization entirely, thus reducing the cost of such calculations significantly. Specifically, we develop real-space expressions for the electron density, electronic free energy, Hellmann–Feynman forces, and Hellmann–Feynman stress tensor in terms of an orthonormal auxiliary orbital basis and its density kernel transform, the density kernel being the matrix representation of the density operator in the auxiliary basis. Using Chebyshev filtering to generate the auxiliary basis, we next develop an approach akin to Clenshaw–Curtis spectral quadrature to calculate the individual columns of the density kernel based on the Fermi operator expansion in Chebyshev polynomials and employ a similar approach to evaluate band structure and entropic energy components. We implement the proposed formulation in the SPARC electronic structure code, using which we show systematic convergence of the aforementioned quantities to exact diagonalization results, and obtain significant speedups relative to conventional diagonalization based methods. Finally, we employ the new method to compute the self-diffusion coefficient and viscosity of aluminum at 116 045 K from Kohn–Sham quantum molecular dynamics, where we find agreement with previous more approximate orbital-free density functional methods.
Enhancing computational enzyme design by a maximum entropy strategy
Authors: Xie Wen Jun , Asadi Mojgan , Warshel Arieh 
Published: February 2022

Significance
Designing efficient enzymes could contribute to a sustainable future. Current computational approaches, including physics-based and machine learning–based design, have not led to a robust enzyme design. Predicting enzyme catalytic power is the crucial step for enzyme design. Here, we found that the properties of enzymes are correlated in a nontrivial way with their evolutionary information. For the active site region and the more distant region, the statistical energy obtained from the maximum entropy model for enzyme homologs is strongly correlated with enzyme catalytic power and stability, respectively. The findings here could be used to understand enzyme catalysis and evolution. Combining the present approach with physics-based computer modeling can provide a potent tool for enzyme design.
Anomalous magnetic interference of cross-type Josephson junctions exposed to oblique magnetic fields
Authors: Mawatari Yasunori 
Published: February 2022

Abstract
Gauge-invariant phase difference and critical currents of cross-type Josephson junctions with thin and narrow superconducting strips exposed to three-dimensional magnetic fields are theoretically investigated. When a sandwich-type Josephson junction in the xy plane is exposed to parallel magnetic fields H

x
and H

y
, the phase difference linearly depends on the spatial coordinates, x and y, and the critical currents exhibit the standard Fraunhofer-type magnetic interference. The perpendicular field H

z
, on the other hand, nonlinearly modulates the distribution of the phase difference and the critical currents as the functions of the oblique field exhibit anomalous magnetic interference. We obtain simple analytical expressions for critical currents of small cross-type junctions by neglecting the effects of self-field and trapped vortices. The resulting dc critical currents show anomalous and diverse interference patterns depending on the parallel and perpendicular magnetic fields.
Indirect excitation and luminescence activation of Tb doped indium tin oxide and its impact on the host’s optical and electrical properties
Authors: Llontop P , Torres C E , Piñeiro M , Conde L , Tejada A , Töfflinger J A , Rumiche F , Aragón F F H , Pacheco-Salazar D G , Grieseler R , Korte L , Guerra J A 
Published: February 2022

Abstract
The effect of adding terbium to indium tin oxide (ITO) thin films on the electrical, optical and light emission properties was investigated. The films were prepared by radio frequency dual magnetron sputtering, maintaining a high optical transmittance in the ultraviolet and visible spectral regions, and a low electrical resistivity ranging from

5
×

10

−
3

Ω
⋅

cm

to

0.3

Ω
⋅

cm

. Terbium-related luminescence is achieved after annealing at 470 ∘C in air at atmospheric pressure. Electrical resistivity and optical transmittance were measured after each annealing step to evaluate the compromise between the achieved light emission intensity, electrical and optical properties. Additionally, temperature dependence of Tb-related luminescence quenching was assessed by temperature-dependent photoluminescence measurements, from 83 to 533 K, under non-resonant excitation. Thermal quenching activation energies suggest an effective energy transfer mechanism from the ITO host to the rare-earth (RE) ions. This indirect excitation mechanism was modeled using a spherical potential-well and a tight-binding one-band approximation approaches, describing a short-range charge trapping process and subsequent formation of bound excitons to RE ion clusters.
Spin-valley-coupled quantum spin Hall insulator with topological Rashba-splitting edge states in Janus monolayer CSb1.5Bi1.5
Authors: Guo San-Dong , Zhu Yu-Tong 
Published: February 2022

Abstract
Achieving combination of spin and valley polarized states with topological insulating phase is pregnant to promote the fantastic integration of topological physics, spintronics and valleytronics. In this work, a spin-valley-coupled quantum spin Hall insulator (svc-QSHI) is predicted in Janus monolayer CSb1.5Bi1.5 with dynamic, mechanical and thermal stabilities. Calculated results show that the CSb1.5Bi1.5 is a direct band gap semiconductor with and without spin–orbit coupling, and the conduction-band minimum and valence-band maximum are at valley point. The inequivalent valleys have opposite Berry curvature and spin moment, which can produce a spin-valley Hall effect. In the center of Brillouin zone, a Rashba-type spin splitting can be observed due to missing horizontal mirror symmetry. The topological characteristic of CSb1.5Bi1.5 is confirmed by the Z
2 invariant and topological protected conducting helical edge states. Moreover, the CSb1.5Bi1.5 shows unique Rashba-splitting edge states. Both energy band gap and spin-splitting at the valley point are larger than the thermal energy of room temperature (25 meV) with generalized gradient approximation level, which is very important at room temperature for device applications. It is proved that the spin-valley-coupling and nontrivial quantum spin Hall state are robust again biaxial strain. Our work may provide a new platform to achieve integration of topological physics, spintronics and valleytronics.
Slot-die processed perovskite solar cells: effects of solvent and temperature on device performances
Authors: Lee Hyun-Jung , Seo Yu-Hyun , Kim Seok-Soon , Na Seok-In 
Published: February 2022

Abstract
We studied the effects of perovskite precursor solvents and deposition temperatures on perovskite-layer formation for slot-die coating based solar cell fabrication. To select better solvent and temperature conditions, various representative polar solvents (dimethyl sulfoxide (DMSO), N-methyl-2-pyrrolidone, N,N-dimethylformamide (DMF), γ-butyrolactone) and various deposition temperatures (70 °C–150 °C), well-known as key conditions in conventional spin-coating systems, were studied and compared. Comparative studies revealed the DMSO:DMF (5:5) solvents and the 130 °C can provide better solar-cell performances with cell-efficiency up to 15.40% in slot-die based planar perovskite devices, demonstrating an advanced step for better-efficiency slot-die-coating based perovskite solar cells.
Self-organized neuronal subpopulations and network morphology underlying superbursts
Authors: Kim Byoungsoo , Lee Kyoung J 
Published: February 2022

Abstract
Neural bursts are an important phenomenon that needs to be understood for their relevance to many different neurological diseases as well as neural computations. While there are different types of neuronal bursts, in this study we investigate the nature of population (as opposed to intrinsic cell-level) bursts, in particular, superbursts (SBs) that are a small (∼100 ms) packet of several population bursts (PBs). It has been suggested that neuronal PBs occur when there exists a delicate balance of system-wide excitation and inhibition and when recurrent excitation loops exist in the network. However, there has been no rigorous investigation on the relation between network morphology and (super)burst dynamics. Here we investigate the important issue based on a well-established Izhikevich network model of integrate-fire neurons. We have employed the overall conduction delay as our control parameter for tuning network morphology as well as its matching burst dynamics. Interestingly, we found that initially identical neurons self-organize to develop several distinct neuronal subpopulations, which are characterized by different spike firing patterns as well as local network properties. Moreover, a few different motifs of SB emerge according to a distinct mixture of neuronal subpopulations that, on average, fire at slightly different phases. Our analyses suggest that recurring motifs of different SBs reflect complex yet organized modular structures of different subpopulations.
Glycine based auto-combustion synthesis of ZnO nanoparticles as electrode material for supercapacitor
Authors: AlFawaz Amal , Ahmad Ashfaq , Ahmad Naushad , Alharthi Fahad A 
Published: February 2022

Abstract
In this work, ZnO is prepared using glycine based auto-combustion synthesis with advantages of nanoparticles with mesoporosity. x-ray diffraction and Fourier-transform infrared spectroscopy were used to investigate the structural and bond formation of ZnO. Brunauer–Emmett–Teller method was employed to calculate the surface area of ZnO nanoparticles. The surface area was determined to be 6.098 m2 g−1 having pore width lying of 121.389 Å. Chemical bonding of ZnO nanoparticles was studied using x-ray photoelectron spectroscopy and results revealed successful formation of Zn-O bond. The morphology was investigated using scanning electron microscopy and the particles were noticed in 100–500 nm with cylindrical, spherical, and random shaped sharp-edged particles. The electrochemical properties of ZnO were investigated as anode for supercapacitor. ZnO electrode exhibits capacitance of 209.8 F g−1, 186.2 F g−1, 170.6 F g−1, and 167 F g−1 at current densities of 0.25 A g−1, 0.5 A g−1, 1 A g−1, and 2 A g−1, respectively.
Upper bound efficiency for several configurations of work extractors receiving and releasing statistically deformed heat and radiation fluxes
Authors: Badescu Viorel 
Published: February 2022

Abstract
A unified work extractor model is proposed, covering the four possible combinations of heat and radiation reservoirs. In case of heat driven work extractors the upper bounds of the conversion efficiency derived here have the Chambadal-Novikov-Curzon-Ahlborn efficiency as special case and the Carnot efficiency as a particular, ultimate upper bound limit. In case of radiation driven work extractors the upper bounds efficiency covers as a particular case the Petela-Landsberg-Press efficiency, which only applies to fully concentrated radiation. Depending on the value of the geometric factor of the radiation source, the upper bound efficiency ranges between the Petela-Landsberg-Press efficiency and the Carnot efficiency. The upper bound efficiency obtained for the four combinations of heat and radiation reservoirs correctly estimate that work is not generated in some particular cases when both Petela-Landsberg-Press efficiency and Carnot efficiency wrongly estimate that work is generated.
Characterizing Crosstalk within the Pan-STARRS GPC1 Camera
Authors: de Boer T. J. L. , Huber M. E. , Magnier E. A. , Onaka P. M. , Chambers K. C. , Lin C.-C. , Gao H. , Fairlamb J. , Wainscoat R. J. 
Published: February 2022

Abstract
Using data from a year-long dedicated campaign to observe bright stars, we study the crosstalk channels present in the GPC1 camera. By analyzing these data, we construct a data set that checks source stars on almost every CCD of every chip within the camera against all possible crosstalk destinations. We use a clustering algorithm to find potential crosstalk occurrences, and then also check all possible combinations (driven by the hardware layout) by eye. This results in a total of 640 rules, with a flux attenuation factor ranging from 2.5 × 102 for the bright end to 2.5 × 104 at the faint end. The average value of m
cross–m
src ≈ −10.25 corresponds to an attenuating factor of 1.25 × 104, which produces crosstalk ghosts with an average signal-to-noise ratio of 0.64 ± 0.1 on the bright images. We find no evidence of crosstalk signals between CCDs not connected in the hardware setup. The distribution of attenuation factors is also found to be dependent on crosstalk movement. A clear dependence on cell column offsets is found, consistent with the idea that the source star charge is progressively attenuated during the traversal of cell readout lines. While we can see the trends, the uncertainties on aperture magnitude measurements are large at this stage.