bluuebunny/crossref_metadata_2025_split huggingface dataset:
Brustrekonstruktion bei Mammakarzinom
Authors: Momeni Arash , Giunta Riccardo E. 
Published: August 2022

Liebe Leserinnen und Leser,es ist uns eine große Freude mit diesem Sonderheft über aktuelle
Themen zur Brustrekonstruktion nach Mammakarzinom zu informieren. In den letzten
Jahrzehnten hat die Brustrekonstruktion erhebliche Fortschritte mit verbesserten
klinischen Resultaten gemacht, so wir in diesem Themenheft aktuelle Trends und
Themen für Sie zusammenfassen möchten.
Interdisziplinäres Management von
Molaren-Inzisiven-Hypomineralisation
Authors: Olbrisch Carolin , Jablonski-Momeni Anahita , Korbmacher-Steiner Heike 
Published: August 2022

ZusammenfassungDas Management von Patienten mit einer Molaren-Inzisiven-Hypomineralisation (MIH)
gewinnt durch die steigende Prävalenz zunehmend an Bedeutung. Bei der
Therapieplanung ist ein enger Austausch zwischen Zahnarzt und
Kieferorthopäden von erheblicher Bedeutung, da neben dem
Defektausmaß auch die gegebenen dentalen und skelettalen Faktoren zu
berücksichtigen sind. Die Extraktion kann bei Molaren mit einer
schlechten Prognose eine wertvolle Alternative zu aufwändigen
Restaurationen darstellen. Der Zeitpunkt der Extraktion ist weiterhin
essenziell, um einen größtmöglich spontanen
Lückenschluss herbeizuführen und die kieferorthopädische
Behandlungsdauer gering zu halten. Sofern jedoch keine Indikation für
eine Extraktion der Molaren vorliegt, sollten die betroffenen
hypomineralisierten Zähne mit den verfügbaren Mitteln solange
wie möglich erhalten werden.Das Ziel dieses Artikels ist es eine Übersicht über das
Management von MIH-Zähnen unter Berücksichtigung der
kinderzahnärztlichen und kieferorthopädischen Expertise zu
präsentieren. Die individuelle Entscheidung für oder gegen eine
Extraktion wird anhand von zwei Fallbeispielen beleuchten.
Nutzen und Grenzen mobiler und tragbarer Technologien zur
Individualisierung von hochintensivem Intervalltraining in der
Bewegungstherapie
Authors: Düking Peter , Sperlich Billy 
Published: August 2022

ZusammenfassungTherapeutInnen, PatientInnen und SportlerInnen werden in verschiedenen Therapie-
und Trainingsmaßnahmen vermehrt mit mobilen und tragbaren Technologien,
Smartphone Apps oder sogenannten „point-of-care“ (POCT)
Geräten zur Individualisierung von Trainingsprozessen konfrontiert.
Obwohl die technologische Entwicklung schnell voranschreitet, können
nicht alle verfügbaren Parameter bei (hoch-)intensiver Beanspruchung
valide erfasst werden. TherapeutInnen und PatientInnen sollten nur
Geräte verwenden, die für den jeweiligen Anwendungsfall und
Population valide Daten liefern. Tragbare und mobile Technologien werden
beständig weiterentwickelt, und so können heutzutage
beispielsweise (bei richtiger Geräteauswahl) die Herzfrequenz am
Handgelenk auch bei hochintensiver Beanspruchung sowie die
Herzratenvariabilität (bzw. die Pulsratenvariabilität) am
Handgelenk unter Ruhebedingungen valide erfasst werden. Mittlerweile
können tragbare Technologien wie „Smartwatches“ die
maximale Sauerstoffaufnahme ohne Ausbelastungstest erfassen. Deren
Validität ist jedoch abhängig von der jeweiligen
Leistungsfähigkeit, und diese Technologien scheinen auf individueller
Ebene noch verbesserungswürdig. Zur Überprüfung der
mittel- und langfristigen Effektivität eines (hochintensiven)
Trainingsprozesses ist diese tragbare Technologie zum aktuellen Zeitpunkt nur
bedingt anwendbar.
Crystal Structures of Organoselenium Compounds: Structural Descriptors for Chalcogen Bonds
Authors: Wouters Johan , Bodart Laurie 
Published: August 2022

AbstractLess conventional non-covalent interactions such as chalcogen bonds attract the attention of researchers in various fields (organocatalysis, material sciences, biological chemistry, …). We present here useful descriptors to easily discriminate the structures in which chalcogen bonds involving selenium are observed. Our study focused on organoselenium compounds as chalcogen bond donors and on molecular entities, as chalcogen bond acceptors, containing N, O, S, Se, and Te atoms or aromatic rings. For conventional chalcogen bonds (C–Se⋯X, with X = N, O, S, Se, or Te), the combination of the C–Se⋯X angle and the distance between X and the C–Se-C plane proved to be most relevant for identification of chalcogen bonds. For chalcogen⋯π bonds, the most relevant parameters are a combination of the C–Se⋯X angle and the angle between the C–Se bond and the normal to the aromatic ring plane.
Integrating IPACK (Interspace between the Popliteal Artery and Capsule of the Posterior Knee) Block in an Enhanced Recovery after Surgery Pathway for Total Knee Arthroplasty—A Prospective Triple-Blinded Randomized Controlled Trial
Authors: BH Poonam Pai , Jinadu Samiat , Okunlola Olubunmi , Darkzali Haider , Lin Hung Mo , Lai Yan H. 
Published: August 2022

AbstractWe explored the efficacy of an interspace between the popliteal artery and capsule of the posterior knee (IPACK) block when added to an established enhanced recovery after surgery (ERAS) pathway to assist with posterior knee analgesia and functional mobility after total knee arthroplasty (TKA). We recruited participants undergoing TKA in our prospective, randomized, triple-blinded controlled trial. All study patients participated in our ERAS pathway consisting of a primary spinal anesthetic, adductor canal nerve catheter, and periarticular joint infiltration. Patients were randomized to receive an IPACK block or no block. The primary outcome was total postoperative opioid consumption. Secondary outcomes included pain scores, recovery unit length of stay, time to first opioid use, the incidence of posterior knee pain, ambulation distance and activities of daily living on postoperative day 1, and hospital length of stay. A total of 96 patients were randomized to the control and IPACK groups. There were no statistical differences in primary or majority of secondary outcomes. There was a lower incidence of posterior knee pain (39%) in the IPACK group when compared with controls (8.7%), p < 0.01. In terms of opioid consumption and a majority of functional outcomes, our study demonstrates no overall benefits of adding an IPACK block in this ERAS pathway in TKA. Nevertheless, IPACK may have the potential of mitigating posterior knee pain after TKA. Level of evidence: level 1.Clinical trial number and registry URL: NCT03653416. www.clinicaltrials.gov.
A computational study of electrical contacts to all-inorganic perovskite CsPbBr3
Authors: Liu Ye , Yin Guoxue , An Wei , Ke Yunzhe , Quhe Ruge 
Published: August 2022

Abstract
All-inorganic halide perovskites are promising candidates for optoelectronic devices due to their excellent physicochemical properties and better thermal stability than their hybrid counterparts. The electrical contact to perovskite plays a crucial role in determining the device’s performance. This paper investigated the contacts of two types of CsPbBr3 surface to a series of metals (Pd, In, Pb, Zr, Ti, Zn, graphene, and Ti3C2) through first-principles calculations. On the PbBr2-terminated surface, all the studied metals form Schottky contacts with minimum barriers ranging from 0.63 to 0.97 eV. On the CsBr-terminated surface, Ti and Ti3C2 forms n-type Ohmic contacts while others form Schottky contacts with minimum barriers ranging from 0.25 to 0.97 eV. Ti3C2, considering the small Schottky barrier, large tunneling barrier, and high electronic localization function, is found to be proper ohmic metal contacts with the CsBr-terminated surface. In addition, a −16.4% to 15.1% change in the size of the CsPbBr3 band gap is found because of the interfacial interaction. The Fermi pinning factor of the CsPbBr3-metal contact is estimated via a modified method considering the gap change, and that of the PbBr2-terminated one is slightly larger than that of the CsBr-terminated one, indicating a more flexible Schottky barrier in the former through changing the metal work function. This work presents a comprehensive understanding of metal contacts to all-inorganic perovskite CsPbBr3 and offers theoretical guidance for preparing high-performance inorganic perovskite photoelectric devices.
Introducing the MeVCube concept: a CubeSat for MeV observations
Authors: Lucchetta Giulio , Ackermann Markus , Berge David , Bühler Rolf 
Published: August 2022

Abstract
Despite the impressive progress achieved both by X-ray and gamma-ray observatories in the last few decades, the energy range between ∼ 200 keV and ∼ 50 MeV remains poorly explored. COMPTEL, on-board the Compton Gamma-Ray Observatory (CGRO, 1991-2000), opened the MeV gamma-ray band as a new window to astronomy, performing the first all-sky survey in the energy range from 0.75 to 30 MeV. More than 20 years after the de-orbit of CGRO, no successor mission is yet operating. Over the past years many concepts have been proposed, for new observatories exploring different configurations and imaging techniques; a selection of the most recent ones includes AMEGO, ETCC, GECCO and COSI.

We propose here a novel concept for a Compton telescope based on the CubeSat standard, named MeVCube, with the advantages of small cost and relatively short development time. The scientific payload is based on two layers of pixelated Cadmium-Zinc-Telluride (CdZnTe) detectors, coupled with low-power read-out electronics (ASIC, VATA450.3). The performance of the read-out electronics and CdZnTe custom designed detectors have been measured extensively at DESY [1]. The performance of the telescope is accessed through simulations: despite a small effective area limited to a few cm2, MeVCube can reach an angular resolution of 1.5° and a sensitivity comparable to the one achieved by the last generation of large-scale satellites like COMPTEL and INTEGRAL. Combined with a large field-of-view and a moderate cost, MeVCube can be a powerful instrument for transient observations and searches of electromagnetic counterparts of gravitational wave events.
Large sub-regional differences of ammonia seasonal patterns over India reveal inventory discrepancies
Authors: Beale Christopher A , Paulot Fabien , Randles Cynthia A , Wang Rui , Guo Xuehui , Clarisse Lieven , Van Damme Martin , Coheur Pierre-François , Clerbaux Cathy , Shephard Mark W , Dammers Enrico , Cady-Pereira Karen , Zondlo Mark A 
Published: August 2022

Abstract
Ammonia (NH3) is a key precursor of haze particles and fine particulate matter (PM2.5) and its spatiotemporal variabilities are poorly constrained. In this study, we present measurements of NH3 over the Indian subcontinent region from the Infrared Atmospheric Sounder Interferometer (IASI) and Cross-track Infrared Sounder (CrIS) satellite instruments. This region exhibits a complex emission profile due to the number of varied sources, including crop burning, fossil fuel combustion, fertilizer application, livestock and industrial sources. Observations from the CrIS and IASI instruments are oversampled to a resolution of 0.02° × 0.02°. Five regions with distinct spatiotemporal NH3 profiles are determined using k-means clustering. Maximum NH3 columns are seen in July over the western India with column densities of 6.2 × 1017 mol cm−2 and 7.2 × 1017 mol cm−2 respectively for IASI and CrIS. The seasonality of measured NH3 columns show annual maxima occurring in spring in Eastern India and Bangladesh and in mid-summer for the western Indo-Gangetic plain. Our observational constraints suggest that the impact of local farming practices on NH3 emissions is not well captured in emission inventories such as Coupled Model Intercomparison Project Phase 6 (CMIP6), which exhibits peaks in the late spring and autumn. The spatial variability in the seasonal patterns of NH3 is also not captured by the single emissions profile used in CMIP6 for India. The high-resolution maps obtained from these measurements can be used to improve NH3 emission inventories in order to understand its sources for more accurate predictions of air quality in the Indian subcontinent. Our study points to the need for regionally specific emissions inventories for short-lived species such as NH3 that have heterogeneous emissions profiles due to specific agricultural practices and other emission source characteristics.
The SAGEX review on scattering amplitudes Chapter 14: Classical gravity from scattering amplitudes
Authors: Kosower David A , Monteiro Ricardo , O’Connell Donal 
Published: August 2022

Abstract
Scattering amplitudes have their origin in quantum field theory, but have wide-ranging applications extending to classical physics. We review a formalism to connect certain classical observables to scattering amplitudes. An advantage of this formalism is that it enables us to study implications of the double copy in classical gravity. We discuss examples of observables including the total change of a particle’s momentum, and the gravitational waveform, during a scattering encounter. The double copy also allows direct access to classical solutions in gravity. We review this classical double copy starting from its linearised level, where it originates in the double copy of three-point amplitudes. The classical double copy extends elegantly to exact solutions, making a connection between scattering amplitudes and the geometric formulation of general relativity.
Experimental and simulation analysis of bubble deformation in foaming polypropylene
Authors: Zhang Di , Li Ming , Cao Lushuai , Liu Bujin , Jiang Tuanhui , Zeng Xiangbu , Zhang Chun , Gong Wei , He Li 
Published: August 2022

Abstract
This paper investigates the bubble deformation in bubble growth using a self-made in situ visual injection molding device. The results show that the deformation degree of independent bubbles is kept within 0.015. Under the frame rate of 25 frames per second (FPS), it is found that adjacent bubbles with the same average diameter simultaneously pass through the deformation critical point, while adjacent bubbles with different average diameters can’t pass through the critical deformation point at the same time. The interaction in the process of adjacent bubble growth is simulated by finite element software, radial migration of bubbles is suppressed, the hoop stretch of bubbles is enhanced, and the deformation sequence of adjacent bubbles is determined by bubble radius and bubble pressure. On the basis of the bubble influence zone model and the bubble deformation model, a bubble deformation response model is established, used to reflect adjacent bubbles’ deformation response speed.
Orbital dependent band degeneracy and edge states in single layer and AA bilayer honeycomb lattice systems with p orbital degeneracy
Authors: Hayashi Genki , Mizokawa Takashi 
Published: August 2022

Abstract
We have investigated band structure and edge states of single and AA bilayer honeycomb lattice systems with p orbital degeneracy which would be relevant for relatively heavy metals such as Pb and Bi. The p electrons, which are triply degenerate in the atomic limit, form quadruple degeneracy at K point in a single layer honeycomb lattice. The spin-orbit interaction splits the quartet at K point into two singlets and one doublet which are mixtures of p

x
, p

y
and p

z
orbitals. In the AA bilayer honeycomb lattice, the Dirac node at K point is deformed into circular line node around it. With the intermediate interlayer coupling, there is a degenerate point along Γ-K with p

z
character. A p

x
/p

y
type degenerate point exists under the strong interlayer coupling. This degenerate point is robust against the spin-orbit interaction and the antiferromagnetic spin arrangement only along the intralayer bonds. Without SOI, localized edge states with p

x
/p

y
or p

z
character are created at the zigzag edges both in the single and AA bilayer systems. In the AA bilayer system with SOI, only the p

x
/p

y
edge states exhibit the Dirac-like dispersion.
The Initiation and Developmental Course of Prescription Drug Misuse Among High School Athletes During the Transition Through Young Adulthood
Authors: Veliz Philip T , Schulenberg John E , Zdroik Jen , Werner Kennedy Star , McCabe Sean Esteban 
Published: August 2022

Abstract
The objective of this study was to examine the extent to which involvement in high-contact, semicontact, or noncontact sports during the 12th grade is associated with the initiation and developmental course of prescription drug misuse (PDM) between ages 17/18 years and 27/28 years. Data were collected from a national multicohort panel sample of US 12th-graders (cohorts 2006–2017; n = 4,772) from the Monitoring the Future Study who were followed for a decade, through age 27/28 years. Approximately 31% of high school seniors indicated PDM at baseline (age 17/18 years). While past-year PDM remained relatively stable between ages 17/18 years and 27/28 years, participation in both noncontact (adjusted odds ratio = 1.40, 95% confidence interval: 1.02, 1.91) and contact (adjusted odds ratio = 1.57, 95% confidence interval: 1.08, 2.28) sports in the 12th grade increased the odds of initiating prescription stimulant misuse during the 10 years following high school as compared with respondents who did not participate in these types of sports in the 12th grade. To our knowledge, this is the first national study to have assessed how sports participation during high school is associated with the initiation and developmental course of PDM from adolescence to young adulthood. These findings reinforce the need for PDM screening during adolescence, as nearly 1 in 3 high school seniors engage in PDM. Increased prescription stimulant misuse following high school warrants ongoing monitoring during young adulthood, especially among athletes.
A deep learning-based method for the prediction of DNA interacting residues in a protein
Authors: Patiyal Sumeet , Dhall Anjali , Raghava Gajendra P S 
Published: August 2022

AbstractDNA–protein interaction is one of the most crucial interactions in the biological system, which decides the fate of many processes such as transcription, regulation and splicing of genes. In this study, we trained our models on a training dataset of 646 DNA-binding proteins having 15 636 DNA interacting and 298 503 non-interacting residues. Our trained models were evaluated on an independent dataset of 46 DNA-binding proteins having 965 DNA interacting and 9911 non-interacting residues. All proteins in the independent dataset have less than 30% of sequence similarity with proteins in the training dataset. A wide range of traditional machine learning and deep learning (1D-CNN) techniques-based models have been developed using binary, physicochemical properties and Position-Specific Scoring Matrix (PSSM)/evolutionary profiles. In the case of machine learning technique, eXtreme Gradient Boosting-based model achieved a maximum area under the receiver operating characteristics (AUROC) curve of 0.77 on the independent dataset using PSSM profile. Deep learning-based model achieved the highest AUROC of 0.79 on the independent dataset using a combination of all three profiles. We evaluated the performance of existing methods on the independent dataset and observed that our proposed method outperformed all the existing methods. In order to facilitate scientific community, we developed standalone software and web server, which are accessible from https://webs.iiitd.edu.in/raghava/dbpred.
Chemometry and Green Chemistry-Based Chromatographic Analysis of Azilsartan Medoxomil, Cilnidipine and Chlorthalidone in Human Plasma Using Analytical Quality by Design Approach
Authors: Prajapati Pintu , Shahi Abhinandan , Acharya Aneri , Shah Shailesh 
Published: August 2022

Abstract
According to the green chemistry approach, the usage of carcinogenic and teratogenic organic solvents should be minimized in the development of the analytical method for the safety of the environment and analysts. According to the literature review, no high-performance thin-layer chromatographic (HPTLC) method has been reported yet for concomitant analysis of azilsartan medoxomil (AZM), chlorthalidone (CTD) and cilnidipine (CDP) in human plasma. Hence, a robust and accurate HPTLC method has been developed using safe and non-toxic organic solvents for the concomitant analysis of AZM, CTD and CDP in human plasma, fixed-dose combinations (FDCs) and laboratory mixtures. The HPTLC method was developed by the implementation of the analytical quality by design approach using principles of quality risk management and design of experiments (DoE) for regulatory compliance. The principal component analysis was applied for the risk assessment and analysis of potential method variables in the method development. The principle of DoE was used for the response surface modeling to link identified critical method risk parameters with critical method performance attributes using full factorial design (FFD). The method operable design region and analytical control space were navigated for the optimization of the method as per quality target analytical profile. The developed method was also applied for concomitant analysis of AZM, CTD and CDP in their FDCs and laboratory mixture and results were found in good agreement with the labeled amount of the respective drug.
Revisiting the Evidence Base for Modern-Day Practice of the Treatment of Toxoplasmic Encephalitis: A Systematic Review and Meta-Analysis
Authors: Prosty Connor , Hanula Ryan , Levin Yossef , Bogoch Isaac I , McDonald Emily G , Lee Todd C 
Published: August 2022

Abstract

Background
Toxoplasmic encephalitis (TE) is an opportunistic infection of people with human immunodeficiency virus (HIV) or other causes of immunosuppression. Guideline-recommended treatments for TE are pyrimethamine and sulfadiazine (P-S) or pyrimethamine and clindamycin (P-C); however, a substantial price increase has limited access to pyrimethamine. Consequently, some centers have transitioned to trimethoprim-sulfamethoxazole (TMP-SMX), an inexpensive alternative treatment. We aimed to review the evidence on the efficacy and safety of pyrimethamine-containing therapies vs TMP-SMX.

Methods
We searched for and included randomized controlled trials (RCTs) and observational studies of TE treatments, regardless of HIV status. Data for each therapy were pooled by meta-analysis to assess the proportions of patients who experienced clinical and radiologic responses to treatment, all-cause mortality, and discontinuation due to toxicity. Sensitivity analyses limited to RCTs directly compared therapies.

Results
We identified 6 RCTs/dose-escalation studies and 26 single-arm/observational studies. Identified studies included only persons with HIV, and most predated modern antiretroviral treatment. Pooled proportions of clinical and radiologic response and mortality were not significantly different between TMP-SMX and pyrimethamine-containing regimens (P &gt; .05). Treatment discontinuation due to toxicity was significantly lower in TMP-SMX (7.3%; 95% confidence interval [CI], 4.7–11.4; I2 = 0.0%) vs P-S (30.5%; 95% CI, 27.1–34.2; I2 = 0.0%; P &lt; .01) or P-C (13.7%; 95% CI, 9.8–18.8; I2 = 32.0%; P = .031). These results were consistent in analyses restricted to RCT data.

Conclusions
TMP-SMX appears to be as effective and safer than pyrimethamine-containing regimens for TE. These findings support modern RCTs comparing TMP-SMX to pyrimethamine-based therapies and a revisiting of the guidelines.