bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ionization and structural properties of mRNA lipid nanoparticles influence expression in intramuscular and intravascular administration
Authors: Carrasco Manuel J. , Alishetty Suman , Alameh Mohamad-Gabriel , Said Hooda , Wright Lacey , Paige Mikell , Soliman Ousamah , Weissman Drew , Cleveland Thomas E. , Grishaev Alexander , Buschmann Michael D. 
Published: August 2021

AbstractLipid Nanoparticles (LNPs) are used to deliver siRNA and COVID-19 mRNA vaccines. The main factor known to determine their delivery efficiency is the pKa of the LNP containing an ionizable lipid. Herein, we report a method that can predict the LNP pKa from the structure of the ionizable lipid. We used theoretical, NMR, fluorescent-dye binding, and electrophoretic mobility methods to comprehensively measure protonation of both the ionizable lipid and the formulated LNP. The pKa of the ionizable lipid was 2-3 units higher than the pKa of the LNP primarily due to proton solvation energy differences between the LNP and aqueous medium. We exploited these results to explain a wide range of delivery efficiencies in vitro and in vivo for intramuscular (IM) and intravascular (IV) administration of different ionizable lipids at escalating ionizable lipid-to-mRNA ratios in the LNP. In addition, we determined that more negatively charged LNPs exhibit higher off-target systemic expression of mRNA in the liver following IM administration. This undesirable systemic off-target expression of mRNA-LNP vaccines could be minimized through appropriate design of the ionizable lipid and LNP.
Quantum spin mixing in Dirac materials
Authors: Chen Ying-Jiun , Hoffmann Markus , Zimmermann Bernd , Bihlmayer Gustav , Blügel Stefan , Schneider Claus M. , Tusche Christian 
Published: August 2021

AbstractThe spin of the electron is nowadays replacing the charge as basic carrier of information not only in spintronics applications, but also in the emerging field of quantum information. Topological quantum materials, where spin-momentum locking is believed to lead to particularly long spin lifetimes, are regarded as a promising platform for such applications. However, spin-orbit coupling, that is essential to all topological matter, at the same time gives rise to spin mixing and decoherence as a major obstacle for quantum computing. Here, we give experimental evidence that hot-spots of spin-mixing and spin-conserving contributions of the spin-orbit operator coexist in an archetypal topological Dirac metal, and that these hot spots can have a strongly anisotropic distribution of their respective wave vectors with respect to the spin quantization direction. Our results can be understood within a theory that takes into account the decomposition of the spin-orbit Hamiltonian into spin-conserving and spin-flip terms, contributing to a better understanding of quantum decoherence in topological materials, in general.
Ground vibrations recorded by fiber-optic cables reveal traffic response to COVID-19 lockdown measures in Pasadena, California
Authors: Wang Xin , Zhan Zhongwen , Williams Ethan F. , Herráez Miguel González , Martins Hugo Fidalgo , Karrenbach Martin 
Published: August 2021

AbstractThe COVID-19 lockdown has unprecedently affected the dynamics of our society. As traffic flow is a good proxy for societal activity, traffic monitoring becomes a useful tool to assess the lockdown’s impacts. Here we turned two strands of unused telecommunication fibers in Pasadena, California into a seismic array of ~5,000 sensors and detected ground vibrations caused by moving vehicles along the streets above the cable. We monitor the number of vehicles and their mean speed between December 2019 and August 2020 in high spatial and temporal resolution, and then analyze the traffic patterns change due to the COVID-19 lockdown. Our results show a city-wide decline in traffic volume and an increase in speed due to the lockdown, although the level of impact varies substantially by streets. This study demonstrates the feasibility of using telecommunication fiber optic cables in traffic monitoring, which has implications for public health, economy, and transportation safety.
First-principles prediction of infrared phonon and dielectric function in biaxial hyperbolic van der Waals crystal α-MoO3
Authors: Tong Zhen , Dumitrică Traian , Frauenheim Thomas 
Published: August 2021

In this work, we predict all the infrared phonon modes and dielectric properties of α-MoO3 without using any fitting or assumed parameters from first-principles, which bridges the scientific gap for understanding the unreported infrared phonon modes for α-MoO3.
Time to Act: Confronting Systemic Racism in Communication Sciences and Disorders Academic Training Programs
Authors: Ellis Charles , Kendall Diane 
Published: August 2021

Purpose
The intent of this tutorial is to radically shift engagement around the “types of questions” we ask around racism in communication sciences and disorders (CSD). We propose to move conversations away from diversity and inclusion and go deeper to look at the racist systems of oppression in higher education that have produced our predominantly White discipline. This low number of representations of racial minorities in CSD is extremely problematic and has deep, harmful, and far-reaching implications. The perpetuation of White production of knowledge and White culture harms minority students, faculty and clients, clinical service delivery, coursework content, and the research enterprise.

Conclusions
In this tutorial, we attempt to communicate the complexity of this issue as it relates to our profession and offer ideas that at least get the discussion started. In doing so, we (a) introduce the topic in the context of the history of racism in America and how White fragility makes this topic difficult to hear, (b) provide a problem statement specific to CSD, (c) introduce the concept of systems of oppression and how this concept can change how we face racism in CSD, and (d) provide future directions.
Sekundäre Winkelblockglaukome
Authors: Nüßle Simone , Lübke Jan 
Published: August 2021

ZusammenfassungBei sekundären Winkelblockglaukomen liegt mindestens eine identifizierbare
Ursache für den Winkelblock und die Obstruktion des Kammerwasserabflusses vor.
Diese spezielle Unterform des Glaukoms ist eine besonders heterogene Gruppe an
Erkrankungen bzw. Ursachen, die sich in ihrer Auswirkung auf den
Kammerwasserfluss und in ihrer Behandlung deutlich unterscheiden. Dieser Beitrag
gibt eine Übersicht über die verschiedenen Formen des sekundären
Winkelblockglaukoms und zeigt die Ansatzpunkte für eine zielgerichtete Therapie
auf.
Das metanephrische Adenom - eine benigne Variante des Wilms-Tumors - Ein Fallbericht eines sehr seltenen Nierentumors mit Literaturübersicht
Authors: Bannowsky Andreas , Samuel Claudia , Minin Evgeny , Ückert Stefan 
Published: August 2021

ZusammenfassungDie seltenen gutartigen Tumoren der Niere umfassen eine Gruppe histogenetisch sehr verschiedener Entitäten. Wir berichten über eine 53-jährige Patientin, bei der aufgrund des Verdachts auf Vorliegen eines Nierenzellkarzinoms eine laparoskopische Nephrektomie durchgeführt wurde. In der histologischen Untersuchung zeigte sich der seltene Befund eines benignen metanephrischen Adenoms. Das hier beschriebene metanephrische Adenom stellt mit weniger als 200 dokumentierten Fällen eine Rarität im urologischen Alltag dar und ist klinisch sowie bildmorphologisch ohne histologische Begutachtung derzeitig nicht von einem malignen Tumor der Niere zu unterschieden.
Pain in German physiotherapists: an analysis of pain prevalence and analgesics intake
Authors: Steiner Sarah , Möckel Luis 
Published: August 2021

Abstract
Background Healthcare professionals of different occupations report pain, in particular back pain. It is known that the handling of patients and standing for long periods of time – like physiotherapists do, as well as working in bent posture – are causes of back pain. A high prevalence of low back pain (LBP) in German physiotherapists is to be expected.
Objective To determine pain point prevalence, severity of pain, type of pain (acute, chronic, recurrent), most affected body locations and extent of analgesics intake in German physiotherapists.
Method This was a nationwide online survey with German physiotherapists. Univariable and multivariable methods were applied to identify associations between sociodemographic variables and pain, type of pain and pain location as well as analgesic intake by type of pain. In addition, severity of pain by type was examined using the Kruska-Wallis Test.
Results A total of 550 physiotherapists were included in the analysis. Prevalence of pain was 63.09 % (acute: 4.18 %, chronic: 15.27 %, recurrent: 43.64 %). Most frequently mentioned pain locations were lumbar spine (49.27 %), cervical spine (48.39 %) and head (40.47 %). Participants with chronic pain reported a higher pain severity than physiotherapists with recurrent pain. Analgesics were used by 35.29 % of study participants with pain. Participants with chronic pain indicated a significantly higher probability of using analgesics compared to physiotherapists with recurrent pain.
Conclusion This study indicates a high prevalence of pain and analgesics intake in participating physiotherapists. Therefore, measures are needed to reduce pain in German physiotherapists.
Umsetzung von Transfer im Forschungsprozess: Ein Diskussionsbeitrag aus Perspektive von Forschenden für die Rehabilitation
Authors: Schaller Andrea , Exner Anne-Kathrin , Stahl Lisa , Xyländer Margret 
Published: August 2021

ZusammenfassungAusgehend von der wachsenden Bedeutung des Themas Transfer in den Rehabilitationswissenschaften, stellt das vorliegende Diskussionspapier eine Systematisierung von Transferaufgaben und -aktivitäten im Projektverlauf aus Sicht von Forschenden vor. Neben den Erfahrungen der Autorinnen fließen dabei die Ergebnisse aus zwei moderierten Expertenforen mit 14 bzw. 8 Rehabilitationsforschenden mit verschiedenen thematischen Bezügen ein. In den Expertenforen wurde die Frage diskutiert, welche Stakeholder zu welchem Zeitpunkt und in welcher Form in den Projektverlauf eingebunden werden sollten, damit anwendungsorientierte Rehabilitationsforschung gelingen kann. Die dokumentierten Inhalte der Expertenforen wurden von den Autorinnen dieses Beitrags systematisiert und aufbereitet und sollen zu Diskussionen über die Vorgehensweise beim Transfer im Verlauf von Rehabilitationsforschungsprojekten anregen. Der vorliegende Beitrag ist aus Veranstaltungen im Rahmen der Arbeitsgruppe Innovationswerkstatt – Science Circle des NRW Forschungsverbundes Rehabilitationswissenschaften entstanden.
Jaw in a Day: Immediate Dental Rehabilitation during Fibula Reconstruction of the Mandible
Authors: Ong Adrian , Williams Fayette , Tokarz Ellen , Shokri Tom , Hammer Daniel , Ducic Yadranko 
Published: August 2021

AbstractReconstructing mandibular defects presents challenges to dental rehabilitation related to altered bone and soft tissue anatomy. Dental implants are the most reliable method to restore the lost dentition. Immediate dental implants have been placed for many years but with unacceptably low rates of dental/prosthetic success. Current virtual technology allows placement of both fibulas and guided implants in restoratively driven positions that also allow immediate dental rehabilitation. Inexpensive three-dimensional printing platforms can create provisional dental prostheses placed at the time of surgery. This article reviews our digital and surgical workflow to create an immediate dental prosthesis to predictably restore the dentition during major jaw reconstruction with fibula free flaps.
The Effect of Incorporation of Cellulose Kenaf Fibers in Composite Resin on Mechanical Properties and Surface Topography Analysis Using Scanning Electron Microscopy
Authors: Ibrahim Nur Aliya , Alawi Rabihah , Johari Yanti , Muttlib Nor Aidaniza Abdul , Yusoff Mohd Nazrulhuzaimi Md 
Published: August 2021

Abstract
Objective This study aimed to evaluate the flexural and compressive strength of kenaf-reinforced composite resin as well as analyze the length and diameter of kenaf fibers and their surface topography.
Materials and Methods Kenaf fibers were alkaline treated and wetted with coupling agent. Kenaf-reinforced composite resin was fabricated manually. Specimens for kenaf-reinforced composite resin (Tetric N Flow [Ivoclar Vivadent, Liechtenstein] + 2% kenaf) and control group (Tetric N Flow [Ivoclar Vivadent, Liechtenstein]) were prepared using stainless steel molds with dimension of 25 mm × 2 mm × 2 mm and 6 mm × 4 mm for flexural and compressive strength tests, respectively, and tested using Instron Universal Testing Machine (Shimadzu, Japan). Raw kenaf fibers, treated kenaf fibers, and fractured sample from flexural strength test were analyzed using scanning electron microscopy (SEM) (FEI Quanta FEG 450, United States). Data were analyzed using independent sample t-test. Significant level was set at p < 0.05.
Results Kenaf-reinforced composite resin has a lower flexural and compressive strength than the control group (p < 0.05). SEM analysis revealed the average fibers’ length to be 1.24 mm and diameter ranging from 6.56 to 12.9 μm. The fibers dispersed in composite as single strand or a bundle with a minimal gap between fibers and composite.
Conclusion Flexural and compressive strengths of kenaf-reinforced composite resin were lower than the control group, despite some adaptation between kenaf fibers and composite noted. The fibers’ length and diameter were reasonable for the dispersion in the resin matrix; however, additional treatments of kenaf are required for a favorable result.
Bottom-up coarse-grain modeling of plasticity and nanoscale shear bands in α-RDX
Authors: Izvekov Sergei , Rice Betsy M. 
Published: August 2021

Computationally inexpensive particle-based coarse-grained (CG) models are essential for use in molecular dynamics (MD) simulations of mesoscopically slow cooperative phenomena, such as plastic deformations in solids. Molecular crystals possessing complex symmetry present enormous practical challenges for particle-based coarse-graining at molecularly resolved scales, when each molecule is in a single-site representation, and beyond. Presently, there is no published pairwise non-bonded single-site CG potential that is able to predict the space group and structure of a molecular crystal. In this paper, we present a successful coarse-graining at a molecular level from first principles of an energetic crystal, hexahydro-1,3,5-trinitro-s-triazine (RDX) in the alpha phase, using the force-matching-based multiscale coarse-graining (MSCG/FM) approach. The new MSCG/FM model, which implements an optimal pair decomposition of the crystal Helmholtz free energy potential in molecular center-of-mass coordinates, was obtained by force-matching atomistic MD simulations of liquid, amorphous, and crystalline states and in a wide range of pressures (up to 20 GPa). The MSCG/FM potentials for different pressures underwent top-down optimization to fine-tune the mechanical and thermodynamic properties, followed by consolidation into a transferable density-dependent model referred to as RDX-TC-DD (RDX True-Crystal Density-Dependent). The RDX-TC-DD model predicts accurately the crystal structure of α-RDX at room conditions and reproduces the atomistic reference system under isothermal (300 K) hydrostatic compression up to 20 GPa, in particular, the Pbca symmetry of α-RDX in the elastic regime. The RDX-TC-DD model was then used to simulate the plastic response of uniaxially ([100]) compressed α-RDX resulting in nanoscale shear banding, a key mechanism for plastic deformation and defect-free detonation initiation proposed for many molecular crystalline explosives. Additionally, a comparative analysis of the effect of core-softening of the RDX-TC-DD potential and the degree of molecular rigidity in the all-atom treatment suggests a stress-induced short-range softening of the effective intermolecular interaction as a fundamental cause of plastic instability in α-RDX. The reported RDX-TC-DD model and overall workflow to develop it open up possibilities to perform high quality simulation studies of molecular energetic materials under thermal and mechanical stimuli, including extreme conditions.
El Niño Southern Oscillation and decadal climate variability impacts on crop yields and adaptation value
Authors: Wang Minglu , Huang Yu-Kai , Cheng Muxi , Sheng Bingru , McCarl Bruce 
Published: August 2021

Abstract
Ocean-atmospheric phenomena (OAP) have been found to be associated with regional climate variability and, in turn, agricultural production. Previous research has shown that advance information on OAP and its climate implications could provide valuable opportunities to adjust agriculture practices. In this study, we review OAP effects on crop yields, covering both shorter-term El Niño Southern Oscillation (ENSO) and longer-term ocean-related decadal climate variability (DCV) phenomena, such as Pacific Decadal Oscillation (PDO), the Tropical Atlantic Gradient (TAG), and the West Pacific Warm Pool (WPWP). We review both statistical approaches and simulation models that have been used to assess OAP impacts on crop yields. Findings show heterogeneous impacts across crops, regions, OAP phases, and seasons. Evidence also indicates that more frequent and extreme OAP phases would damage agriculture. However, economic gains could be achieved via adaptation strategies responding to the early release of OAP phase information. Discussions on current knowledge gaps and future research issues are included.
The joint roadmap for radiation protection research: outreach and future
Authors: Impens Nathalie R E N , Salomaa Sisko 
Published: August 2021

Abstract
During the last decade there has been remarkable integration of radiation protection research in Europe, driven by six research platforms. The platforms are associations of research centres, university research groups and funding bodies in Member States that are dedicated to specialised areas of research in radiation protection, such as health risks (MELODI), radioecology (ALLIANCE), radiological emergencies (NERIS), dosimetry (EURADOS), medical use of radiation (EURAMED) and societal aspects (SHARE). Recently these platforms established an umbrella organisation MEENAS, to endorse further integration and joint activities in research, education and training, and infrastructures. A milestone in this process of integration and priority setting was achieved in 2020 when the first edition of the joint roadmap for radiation protection research was finalised. In this paper we describe the various roles for research and development in the radiation protection context, ranging from basic scientific knowledge underpinning the system of protection to research supporting the development and application of international standards and research and development activities needed to ensure safety in radiation practices and in potential exposure scenarios. We describe the process of how the joint roadmap has been developed and how it could be implemented. Finally, we address the need to anticipate potential future exposure scenarios and to systematically consider the impact of emerging technologies and global challenges in the context of radiation protection. The joint roadmap is a living document that needs to be regularly updated to cover both current and potential exposures of humans and the environment.
Background-oriented schlieren measurement of near-surface density field in surface dielectric-barrier-discharge
Authors: Kaneko Yutaka , Nishida Hiroyuki , Tagawa Yoshiyuki 
Published: August 2021

Abstract
Surface dielectric-barrier-discharge (DBD) is widely utilized for flow control actuators called DBD plasma actuator (DBDPA). With the aim of ensuring an accurate background-oriented schlieren (BOS) measurement of the near-surface density field in surface DBD, we investigate the effects of the depth of field (DoF), the wall surface and the background image deformation on measurement results. Experiments using a glass plate as the measurement target reveal that there is no appreciable effect of whether the DoF includes the measurement target. Additionally, the DoF should be shallow from the viewpoint of the error introduced by the wall surface. Moreover, it is found that the error introduced by the wall surface and the dot deformation can be characterized by specific dimensionless parameters. Finally, we conduct the BOS measurement of the DBDPA. We confirm that the density field is qualitatively valid from a physical respect, and we present the density field while discussing specific measurement errors.
High-throughput, accurate Monte Carlo simulation on CPU hardware for PET applications
Authors: Scheins J J , Lenz M , Pietrzyk U , Shah N J , Lerche C 
Published: August 2021

AbstractMonte Carlo simulations (MCS) represent a fundamental approach to modelling the photon interactions in positron emission tomography (PET). A variety of PET-dedicated MCS tools are available to assist and improve PET imaging applications. Of these, GATE has evolved into one of the most popular software for PET MCS because of its accuracy and flexibility. However, simulations are extremely time-consuming. The use of graphics processing units (GPU) has been proposed as a solution to this, with reported acceleration factors about 400–800. These factors refer to GATE benchmarks performed on a single CPU core. Consequently, CPU-based MCS can also be easily accelerated by one order of magnitude or beyond when exploiting multi-threading on powerful CPUs. Thus, CPU-based implementations become competitive when further optimisations can be achieved. In this context, we have developed a novel, CPU-based software called the PET physics simulator (PPS), which combines several efficient methods to significantly boost the performance. PPS flexibly applies GEANT4 cross-sections as a pre-calculated database, thus obtaining results equivalent to GATE. This is demonstrated for an elaborated PET scanner with 3-layer block detectors. All code optimisations yield an acceleration factor of ≈20 (single core). Multi-threading on a high-end CPU workstation (96 cores) further accelerates the PPS by a factor of 80. This results in a total speed-up factor of ≈1600, which outperforms comparable GPU-based MCS by a factor of ≳2. Optionally, the proposed method of coincidence multiplexing can further enhance the throughput by an additional factor of ≈15. The combination of all optimisations corresponds to an acceleration factor of ≈24 000. In this way, the PPS can simulate complex PET detector systems with an effective throughput of 106photon pairs in less than 10 milliseconds.
Influence of Design Parameters on The Low Temperature Tribological Performance of Surface Textured Aluminium Alloy
Authors: Ye Tao , Ma Jian-Wei , Jia Zhen-Yuan 
Published: August 2021

Abstract
In this study, micro-grooves with varying design parameters were fabricated on 5A06 aluminium alloy by a nanosecond pulsed laser. Dry sliding wear tests were performed on a ball-on-disc tribometer at the temperature as low as -100°C to evaluate the influence of design parameters on the friction and wear characteristics of laser surface textured 5A06 aluminium alloy. The mechanism of surface texture is analysed from two aspects of friction behaviour and wear morphology. The experimental results show that the design parameters of the laser surface texture have an important influence on the tribological performance of 5A06 aluminium alloy. Reasonable laser surface texture can successfully enhance the tribological performance, thanks to its ability to capture debris to prevent secondary wear.