bluuebunny/crossref_metadata_2025 huggingface dataset:
Correction: Synthesis and hydrolytic stability of cyclic phosphatidic acids: implications for synthetic- and proto-cell studies
Authors: Ortuno Veronica Egas , Pulletikurti Sunil , Veena Kollery S. , Krishnamurthy Ramanarayanan
Published: February 2023

Correction for ‘Synthesis and hydrolytic stability of cyclic phosphatidic acids: implications for synthetic- and proto-cell studies’ by Veronica Egas Ortuno et al., Chem. Commun., 2022, 58, 6231–6234, https://doi.org/10.1039/D2CC00292B.
Straightforward intra/intermolecular cyclization to AIE-active cyclic TPE: selectively distinguishing benzaldehyde and a temperature sensor
Authors: Zhang Mei , Lu Liping , Yang Guoliang , Mo Xiaofeng , Luo Shunyin , Irfan Majeed , Zeng Zhuo
Published: February 2023

A series of novel cyclic TPE compounds were synthesized. Herein, we report the first example in which the diverting fluorinated cyclic TPE can be potentially applied as a discriminating test strip of benzaldehyde and temperature sensors.
Recycled polyester filled with eggshells waste-based nano CaCO3: thermo-mechanical and flame-retardant features
Authors: Naguib Hamdy M.
Published: February 2023

Improved environmental-friendly fire-retardant nanocomposite.
CRISPR-Cas adaptation in Escherichia coli
Authors: Mitić Damjan , Bolt Edward L. , Ivančić-Baće Ivana
Published: February 2023

Prokaryotes use the adaptive immunity mediated via the Clustered Regularly Interspaced Short Palindromic Repeats and CRISPR associated (CRISPR-Cas) system for protection against invading elements such as phages and plasmids. The immunity is achieved by capturing small DNA fragments or spacers from foreign nucleic acids (protospacers) and integrating them into the host CRISPR locus. This step of CRISPR-Cas immunity called ‘naïve CRISPR adaptation’ requires the conserved Cas1–Cas2 complex and is often supported by variable host proteins that assist in spacer processing and integration. Bacteria that have acquired new spacers become immune to the same invading elements when reinfected. CRISPR-Cas immunity can also be updated by integrating new spacers from the same invading elements, a process called ‘primed adaptation’. Only properly selected and integrated spacers are functional in the next steps of CRISPR immunity when their processed transcripts are used for RNA-guided target recognition and interference (target degradation). Capturing, trimming, and integrating new spacers in the correct orientation are universal steps of adaptation to all CRISPR-Cas systems, but some details are CRISPR-Cas type-specific and species-specific. In this review, we provide an overview of the mechanisms of CRISPR-Cas class 1 type I-E adaptation in Escherichia coli as a general model for adaptation processes (DNA capture and integration) that have been studied in detail. We focus on the role of host non-Cas proteins involved in adaptation, particularly on the role of homologous recombination.
The economic performance of the EU fishing fleet during the COVID-19 pandemic
Authors: Carpenter Griffin , Carvalho Natacha , Guillen Jordi , Prellezo Raúl , Villasante Sebastián , Andersen Jesper L. , Mravlje Edo Avdic , Berkenhagen Jörg , Brigaudeau Cecile , Burke Brian , Santos Angel Calvo , Cano Suzana , Contini Franca , Da-Rocha José-María , Davidjuka Irina , Martínez Francisco Manuel Fernández , Fontaneda-López Ignacio , Gambino Monica , Caballero Elena Garcia , Guyader Olivier , Herring Jeppe , Hoekstra Geert , Ioannou Myrto , Jackson Emmet , Jung Armelle , Kazlauskas Edvardas , Keatinge Michael , Kuzebski Emil , Leonardi Sophie , Le Grand Christelle , Lees Janek , Mancebo-Robledo Carmen Margarita , Minne Marie-Dominique , Mol Arie , Quintana Marta Moran , Nicheva Simona , Pokki Heidi , Do Ó João Ramos , Rodríguez Alexandre , Sabatella Rosaria Felicità , Sciberras Andrew , Souffez Arnaud , Stroie Constantin , Swahnberg Hanna , Tzouramani Irene , Viana Maria Valiente , Verlé Katrien , Virtanen Jarno , Vukov Ivana , Zhelev Kolyo
Published: February 2023

The COVID-19 outbreak and subsequent public health interventions have depressed demand and disrupted supply chains for many fishing businesses. This paper provides an analysis of the COVID-19 impacts on the profitability of the EU fishing fleets. Nowcasting techniques were used to estimate the impact of the COVID-19 pandemic on the economic performance for the EU fishing fleet in 2020 and 2021. Our results show that the economic impact of COVID-19 on this sector was smaller than initially expected and overall profits remained positive. This was in part due to low fuel prices that reduced operating costs of fishing, and the early response from governments to support the sector. The results vary by fishing fleet, revealing that small-scale fleets and the fleets in the Mediterranean and Black seas have been more impacted than large-scale fleets and the fleets in the Northeast Atlantic.
The potential impact of human interventions at different scales in offshore wind farms to promote flat oyster(Ostrea edulis)reef development in the southern North Sea
Authors: ter Hofstede Remment , Williams Gregory , van Koningsveld Mark
Published: February 2023

Incorporation of ecology and ecosystem services into marine infrastructural developments has gained interest over the last decades. Growing attention is given to combine the massive roll-out of offshore wind farms in the North Sea with reinstating the once rich but nowadays nearly extinct European flat oyster (Ostrea edulis). However, the practical upscaling of these pilots is hindered by the absence of clear management objectives and the lack of quantitative knowledge on the effect of technical interventions that could stimulate oyster reef development. Consequently, it is unclear what scale of intervention would actually be required to achieve overall management objectives. This paper presents a stepwise procedure designed in particular to guide the selection of appropriate measures and their required scale for pro-actively facilitating flat oyster reef development in offshore wind farms, in order to reach a desired state for oyster reef inclusive wind farms. The stepwise procedure addresses the historical and current situation of the physical system and social environment, provides options for intervention that stimulate oyster reef development at a range of scales, from micro-scale (materials used) to mega-scale (connectivity between wind farms), and quantitatively assesses the potential effect of applying these interventions. Assumptions have been made in quantifying the effort required for developing oyster reefs in offshore wind farms, and refinement is obviously needed. However, this is a first attempt to make such estimates. The outcomes provide direction in identifying research needs to fill knowledge gaps, as well as in decision-making during the design process for inducing oyster reef development in offshore wind farms. Herewith, application of the stepwise procedure supports authorities in restoration management for the successful reinstatement of flat oyster reefs in the southern North Sea.
Spent nuclear fuel management, characterisation, and dissolution behaviour: progress and achievement from SFC and DisCo
Authors: Sjöland Anders , Christensen Petra , Evins Lena Zetterström , Bosbach Dirk , Duro Lara , Farnan Ian , Metz Volker , Zencker Uwe , Ruiz-Hervias Jesus , Rodríguez-Villagra Nieves , Király Márton , Schillebeeckx Peter , Rochman Dmitri , Seidl Marcus , Dagan Ron , Verwerft Marc , Herranz Puebla Luis Enrique , Hordynskyi Dmitri , Feria Francisco , Vlassopoulos Efstathios
Published: February 2023

SFC is a work package in Eurad that investigates issues related to the properties of the spent nuclear fuel in the back-end of the nuclear fuel cycle. Decay heat, nuclide inventory, and fuel integrity (mechanical and otherwise), and not least the related uncertainties, are among the primary focal points of SFC. These have very significant importance for the safety and operational aspect of the back-end. One consequence is the operation economy of the back-end, where deeper understanding and quantification allow for significant optimization, meaning that significant parts of the costs can be reduced. In this paper, SFC is described, and examples of results are presented at about half-time of the work package, which will finish in 2024. The DisCo project started in 2017 and finished in November 2021 and was funded under the Horizon 2020 Euratom program. It investigated if the properties of modern fuel types, namely doped fuel, and MOX, cause any significant difference in the dissolution behavior of the fuel matrix compared with standard fuels. Spent nuclear fuel experiments were complemented with studies on model materials as well as the development of models describing the solid state, the dissolution process, and reactive transport in the near field. This research has improved the understanding of processes occurring at the interface between spent nuclear fuel and aqueous solution, such as redox reactions. Overall, the results show that from a long-term fuel matrix dissolution point of view, there is no significant difference between MOX fuel, Cr+Al-doped fuel, and standard fuels.
Rationale Therapie mit Thrombozytenkonzentraten
Authors: Hoepner Gero , Uzun Günalp , Bakchoul Tamam
Published: February 2023

Thrombozytenkonzentrate (TK) stellen eine der wichtigsten Therapieoptionen bei der
Aufrechterhaltung der Hämostase bei Thrombozytopenien und
Thrombozytenfunktionsdefekten dar. Ihre Herstellung und Anwendung ist in Deutschland
durch die „Richtlinie zur Gewinnung von Blut und Blutbestandteilen und zur
Anwendung von Blutprodukten“ 1 und die
„Querschnitts-Leitlinien zur Therapie mit Blutkomponenten und
Plasmaderivaten“ 2 geregelt. In diesem
Übersichtartikel werden die wichtigsten praktischen Aspekte der Therapie mit
TKs zusammengefasst.
Die aktuelle Weiterentwicklung des Nationalen Kompetenzbasierten
Lernzielkatalogs Medizin und die neue ÄApprO – wie wird die
Transfusionsmedizin abgebildet?
Authors: Schäfer Richard , Ahlers Olaf , Schrezenmeier Hubert
Published: February 2023

Die Rahmenbedingungen der medizinischen Ausbildung in Deutschland

Die Studierenden an den deutschen medizinischen Fakultäten werden seit
Jahrzehnten durch die lokalen Curricula sowie mittels vielfältiger und in
verschiedensten Medien verfügbarer Lehr und Lernmaterialien effektiv auf die
jeweiligen Abschnitte der Ärztlichen Prüfung (Staatsexamina)
vorbereitet. Eine besondere Rolle spielen hier die Sammlungen bisheriger
Prüfungsfragen, die vom Institut für medizinische und
pharmazeutische Prüfungsfragen basierend auf dem sogenannten
Gegenstandkatalog (GK) entwickelt werden.
Diagnostik und Therapie der alpha- und
beta-Thalassämien
Authors: Cario Holger
Published: February 2023

Die komplexe Behandlung von Patienten mit Thalassämien stellt nicht nur
eine medizinische, sondern angesichts der in den letzten Jahren deutlich
gestiegenen Patientenzahlen auch eine gesellschaftliche Herausforderung dar, die
eine sehr enge Zusammenarbeit aller Behandler erfordert. Der vorliegende Beitrag
erläutert Ursachen und Pathogenese der alpha- und
beta-Thalassämien und bietet eine Übersicht zu Klinik und
Therapien.
Renin, Aldosterone, and Cortisol in Pregnancy-Induced
Hypertension
Authors: Lewandowski Krzysztof C , Tadros-Zins Monika , Horzelski Wojciech , Krekora Michał , Lewinski Andrzej
Published: February 2023

Introduction We aimed to assess renin, aldosterone, and cortisol in the
early stages of pregnancy-induced hypertension (PIH), i. e., at the time
of diagnosis.

Methods During the postural test, we measured aldosterone, renin [Liason
DiaSorin Inc. (Italy)], as well as cortisol, sodium, potassium, and 24-h urinary
sodium and potassium excretion in 62 women with newly diagnosed PIH, 70 healthy
women during the 3rd trimester of pregnancy, and in 22 healthy non-pregnant
women.

Results In all groups, there was a significant increase in aldosterone and
renin in upright versus supine posture (p<0.01). Both supine and upright
aldosterone concentrations were higher in healthy pregnant women than in women
with PIH and the lowest in healthy not-pregnant [supine
(median±intequartile range): 25.04±18.4 ng/dL,
18.03±12.58 ng/dL, and
7.48±4.78 ng/dL, p<0.001, upright:
31.60±21.32 ng/dL,
25.11±13.15 ng/dL, and
12.4±12.4 ng/dL, p<0.001, for healthy pregnant,
pregnant with PIH, and non-pregnant, respectively]. Supine renin concentrations
were higher only in healthy pregnant (p<0.001), while in the upright
position, there was a difference only between healthy pregnant and women with
PIH (p=0.002). Both in supine and upright positions, there was no
difference in the aldosterone-to-renin ratio between healthy pregnant women and
women with PIH, though, in both groups, the ratio was higher than in
non-pregnant women (p<0.001). Morning cortisol concentrations and 24-h
urinary sodium excretion were lower in women with PIH than in healthy pregnant
(p<0.001, p=0.002, respectively).

Conclusion Hyperaldosteronism is not involved in the etiology of PIH. In
PIH, there is also a tendency towards lower sodium excretion and lower morning
cortisol concentrations.
Mind the gap: Measured and Calculated Osmolarity are Not
Interchangeable in Diabetic Hyperglycemic Emergencies
Authors: Blank Sebastiaan Paul , Blank Ruth Miriam
Published: February 2023

Introduction Small case series have reported that diabetic ketoacidosis is
associated with an elevated osmolar gap, while no previous studies have assessed
the accuracy of calculated osmolarity in the hyperosmolar hyperglycemic state.
The aim of this study was to characterize the magnitude of the osmolar gap in
these conditions and assess whether this changes over time.

Methods In this retrospective cohort study, two publicly available
intensive care datasets were used: Medical Information Mart of Intensive Care IV
and the eICU Collaborative Research Database. We identified adult admissions
with diabetic ketoacidosis and the hyperosmolar hyperglycemic state who had
measured osmolality results available contemporaneously with sodium, urea and
glucose values. Calculated osmolarity was derived using the formula 2Na
+ glucose + urea (all values in mmol/L).

Results We identified 995 paired values for measured and calculated
osmolarity from 547 admissions (321 diabetic ketoacidosis, 103 hyperosmolar
hyperglycemic states and 123 mixed presentations). A wide variation in the
osmolar gap was seen, including substantial elevations and low and negative
values. There was a greater frequency of raised osmolar gaps at the start of the
admission, which tends to normalize by around 12–24 h. Similar
results were seen regardless of the admission diagnosis.

Conclusions The osmolar gap varies widely in diabetic ketoacidosis and the
hyperosmolar hyperglycemic state and may be highly elevated, especially at
admission. Clinicians should be aware that measured and calculated osmolarity
values are not interchangeable in this population. These findings should be
confirmed in a prospective study.
Lessons from the Total Synthesis of Highly Substituted Benzophenone Natural Products
Authors: Schmalz Hans-Günther , Münzer Lukas
Published: February 2023

In this account, we summarize the results and experience gained during 20 years of research in the field of polyketidic natural products displaying a tetra-ortho-substituted benzophenone substructure. As demonstrated by the various approaches towards mumbaistatin and pestalone as targets of high biological relevance, the synthesis of such systems is surprisingly difficult due to the intense interactions of the functional groups adjacent to the ketone bridge. We report successes and failures, as well as the discovery of surprising reactivities that are important for understanding the non-enzymatic formation of related compounds in Nature.

1 Introduction

2 Mumbaistatin

3 Pestalone

4 Conclusion
The Synthesis of 3-Nitrooxypropanol, a Methane Mitigant for Sustainable Farming with Environmental Impact: A Review
Authors: Marco-Contelles José
Published: February 2023

Herein it is summarized and critically discussed the different methods reported in the current literature and patents for the synthesis of 3-nitrooxypropanol (3-NOP). Among the small molecules 3-NOP is possibly one of the smallest (chemical formula: C3H7NO4; molecular weight: 121.09) showing interesting biological properties. Particularly, 3-NOP is an efficient inhibitor of methyl CoM reductase, an enzyme that catalyzes the last step of methanogenesis in anaerobic systems (e.g., ruminants), and a potent methane mitigant, able to reduce greenhouse gas emissions and climate change. 3-NOP is the active ingredient of Bovaer, a feed additive for ruminants. Furthermore, 3-NOP has been incorporated in a number of nitrate esters as NO-donors, showing diverse pharmacological activities for the treatment of inflammation or cardiovascular diseases.

1 Introduction

2 Synthetic Approaches to 3-NOP Based on the Nitrating Agent

3 From 3-NOP to Bovaer

4 Conclusions
Third-order nonlinear optical responses of bis(15-crown-5)-stilbenes binding to one- or two-alkali metal cation (Li+, Na+ and K+)
Authors: Yu Hai-Ling , Zhang Tong , Ma Tian-Liang , Hong Bo , Cheng Zhi-Qiang
Published: February 2023

Bis(15-crown-5)-stilbenes containing crown ether parts have been widely used in a variety of chemical applications, such as cation detectors, because of their ability to selectively bind to alkali metal cations, Bis(15-crown-5)-stilbenes and its derivatives with complexation of one- or two-alkali metal cation (Li+, Na+ and K+) have been theoretically investigated by quantum chemistry methods. The coordination of alkali cations results in partial shrinkage of crown ethers, which directly affected natural distribution analysis charges and molecular orbital energy levels. The number of alkali metal ions has significant effects on absorption spectra and mean second hyperpolarizability. When one alkali metal ion was added to the anticonformer of bis(15-crown-5)-stilbene, the absorption spectra were obviously redshifted and the mean second hyperpolarizability values were slightly increased; while two alkali metal ions were added to bis(15-crown-5)-stilbene, the absorption spectra were obviously blue shifted and the mean second hyperpolarizability values decreased. On the other hand, as the radius of the alkali ions increased, the mean second hyperpolarizability values of the compounds increased gradually. It is indicated that the mean second hyperpolarizability value is sensitive to the number and radius of the alkali metal cations, thus the third order nonlinear optical response can be used as a signal to detect the number and type of alkali metal ions.
Design strategy for a dual-wedge prism imaging spectrometer in spectroscopic nanoscopy
Authors: Song Ki-Hee , Sun Cheng , Zhang Hao F.
Published: February 2023

Spectroscopic single-molecule localization microscopy (sSMLM, or spectroscopic nanoscopy) has been established as a key tool in functional super-resolution imaging by providing spatial and spectral information of single molecules at nanoscale resolution. A recently developed dual-wedge prism (DWP) imaging spectrometer, a monolithic optical component, has broadened the accessibility of sSMLM with an improved imaging resolution of more than 40%. It also improved the system reliability by reducing the number of discrete optical components. However, achieving its optimal performance requires the comprehensive understanding of the underlying constraints of the key system parameters, such as the refractive index of the DWP, spectral dispersion (SD), axial separation for three-dimensional (3D) biplane reconstruction, and the overall dimensional constraints. In this work, we present a generalized design principle for the DWP imaging spectrometer. Specifically, we develop the theoretical framework capturing the influence of the primary design parameters, including the achievable SD and localization performance, for different design cases. It further establishes the workflow to design and optimize the DWP imaging spectrometer for better multi-color functional imaging. This will give practical guidance for users to easily design the DWP imaging spectrometer, allowing for straightforward 3D sSMLM implementation.
Generation of high intensity speckles in overlapping laser beams
Authors: Hao Liang , Qiu Jie , Huo Wen Yi
Published: February 2023

A new mechanism for the generation of high intensity speckles by coupling of overlapping beams is discovered and studied in detail. Using three-dimensional simulations, the coupling of overlapping beams smoothed by phase plates and by polarization smoothing are investigated in the regime relevant to inertial confinement fusion studies. It is found that the intensity distribution of the laser beam spot can be changed by nonuniform spatial phase modulation, and the speckles formed by the phase plate can be split into smaller speckles with higher intensities, which is favorable for the generation of laser plasma instabilities. Stimulated Brillouin scattering is compared in simulations with and without coupling of the overlapping incident beams, and the results confirm the enhancement of stimulated Brillouin scattering due to this mechanism.
Maximally predictive states: From partial observations to long timescales
Authors: Costa Antonio C. , Ahamed Tosif , Jordan David , Stephens Greg J.
Published: February 2023

Isolating slower dynamics from fast fluctuations has proven remarkably powerful, but how do we proceed from partial observations of dynamical systems for which we lack underlying equations? Here, we construct maximally predictive states by concatenating measurements in time, partitioning the resulting sequences using maximum entropy, and choosing the sequence length to maximize short-time predictive information. Transitions between these states yield a simple approximation of the transfer operator, which we use to reveal timescale separation and long-lived collective modes through the operator spectrum. Applicable to both deterministic and stochastic processes, we illustrate our approach through partial observations of the Lorenz system and the stochastic dynamics of a particle in a double-well potential. We use our transfer operator approach to provide a new estimator of the Kolmogorov–Sinai entropy, which we demonstrate in discrete and continuous-time systems, as well as the movement behavior of the nematode worm C. elegans.
High-performance Al-doped ZnO flexible ultraviolet photodetector via piezo-phototronic effect
Authors: Lu Xiao-ling , Guo Xiao-bin , Su Feng-chao , Su Zheng , Qiu Wen-hai , Jiang Yan-ping , Li Wen-hua , Tang Zhen-hua , Tang Xin-gui
Published: February 2023

Al-doped ZnO (AZO) flexible ultraviolet (UV) photodetectors were fabricated on polyethylene terephthalate substrates by radio frequency magnetron sputtering technique at room temperature. The single-layer AZO photodetector has a high photocurrent/dark current ratio and exhibits excellent photoresponse performance under UV illumination. When the tensile strain increases from 0 to 0.33, the photocurrent gradually increases, and the sensitivity and linear dynamic range increase by 10 times and 1.5 times, respectively. Under 23.5 mW/cm2 UV illumination at 4 V bias, the rise time and fall time are 0.2 and 0.3 s, respectively, showing that the AZO flexible UV photodetector has good reproducibility and stability. The energy band diagrams before and after applying tensile strain are analyzed to further study the interface modulation behavior. The results reveal that the piezo-phototronic effect has an important influence on the performance optimization and modulation of flexible UV photodetectors.
Spin-relaxation mechanisms in InAs quantum well heterostructures
Authors: Witt J. D. S. , Pauka S. J. , Gardner G. C. , Gronin S. , Wang T. , Thomas C. , Manfra M. J. , Reilly D. J. , Cassidy M. C.
Published: February 2023

Spin–orbit interaction and spin-relaxation mechanisms of a shallow InAs quantum well heterostructure are investigated by magnetoconductance measurements as a function of an applied top-gate voltage. The data are fit using a Iordanskii–Lyanda-Geller–Pikus model and two distinct transport regimes are identified. The spin–orbit interaction splitting energy is extracted from the fits to the data, which also displays two distinct regimes. The different regimes exhibit different spin-scattering mechanisms, the identification of which is of relevance for device platforms of reduced dimensionality which utilize the spin–orbit interaction.
Numerical simulations of miscible displacement in an inclined channel by lattice Boltzmann method
Authors: Liu Gaojie , Wang Yongqiang , Zhang Chunhua , Lou Qin
Published: February 2023

The interfacial instability between miscible fluids in a channel is determined by many factors, such as viscosity contrast and the inclination angle. Considering the effect of the gravity field, we investigate the displacement phenomenon between two miscible fluids with different viscosities in an inclined channel. The results show that when the concentration Rayleigh number RaC<105, the inclination angle θ ranges from 0° to 90°, and the natural logarithm of the viscosity ratio R > 0; there are three fluid–fluid interfacial instability regions, namely, viscous fingering, “Kelvin–Helmholtz” (K–H) instability, and “Rayleigh–Taylor” (R–T) instability. A scaling analysis is developed to describe the time evolution of the displacement as described by the displacement efficiency at a fixed viscous ratio. Our analysis indicates that in the viscous fingering region, the time evolution of the displacement efficiency gradually increases with t scaling due to fingering formations; in the K–H and R–T regions, the displacement efficiency rapidly increases with t1+RaC/106. When considering the effect of the viscosity ratio in the K–H instability region, the displacement efficiency scales as η∼t1+RaC/106R0.1. In addition, when the inclination angle is negative or R < 0, the instability phenomenon is not obvious, and the displacement efficiency decreases as the inclination angle or R decreases.
Measurement of the activation volume in magnetic random access memory
Authors: Choi Moosung , Carpenter Robert , Gama Monteiro Maxwel , Van Beek Simon , Kim Jongryoul , Couet Sebastien
Published: February 2023

Measuring thermal stability in magnetic random access memory devices is non-trivial. Recently, there has been much discussion on the appropriate model to use: single domain or domain wall nucleation. Of particular challenge is assessing the maximum size at which the single domain model can be assumed. Typically, this is estimated to be in the range of 20–30 nm based on a value of the exchange stiffness (Aex) that is assumed, estimated using indirect measurements or derived from significantly thicker films. In this work, it is proposed that this maximum size can be measured directly via the “activation volume” (Vact) or the “activation diameter” (Dact), which originates from the concept of magnetic viscosity. This is conducted by measuring, using the time dependence of magnetization at different applied fields, Dact in perpendicular magnetic tunnel junction pillars of varying effective anisotropy constant (Keff) and diameter. It is shown that the trend in Dact follows 1/Keff dependence, in good agreement with the analytic model for the critical diameter of coherent switching. Critically, it is also found that the smallest size for which a single domain, with coherent reversal, occurs is 20 nm. Thus, in devices with technologically relevant values of Keff, the macrospin model may only be used in 20 nm, or smaller, devices.
An experimental investigation on the combined effect of plastic deformation and grain size variation on the acoustic nonlinearity parameter
Authors: Abraham Saju T. , Mouni C. Teena , Albert S. K. , Sagdeo A. , Balasubramaniam Krishnan , Venkatraman B.
Published: February 2023

The combined effect of grain size variation and plastic deformation on the acoustic nonlinearity parameter has been investigated in an austenitic stainless-steel material of grade 304. The nonlinear behavior of this parameter with grain growth has deviated to linear fit with deformation. This is due to the interaction of elastic waves with the strain-induced dislocation substructure in the grains. The normalized mean square strain of the deformed specimens has been estimated through angle dispersive x-ray diffraction studies using a synchrotron source, and this has been correlated with the change in the acoustic non-linearity parameter with deformation. The nonlinearity parameter is found to be very sensitive to the plastic deformation even in the presence of grain size variations. The results infer that the variations in the nonlinearity parameter can be used to have an estimate of the extent of localized deformations often occurring during the fabrication of metallic components.
Role of edge-localized neoclassical tearing modes in quiescent H-mode plasmas in the DIII-D tokamak
Authors: Hu Q. M. , Nazikian R. , Chen X. , Yu Q. , Austin M. E. , Bortolon A. , Ernst D. , Haskey S. R. , Park J.-K. , Yan Z. , Yu G. Y.
Published: February 2023

The edge-harmonic oscillations (EHOs) in standard quiescent H-mode (QH-mode) plasmas in DIII-D are consistent with edge-localized neoclassical tearing modes (NTMs) based on nonlinear two-fluid MHD simulations. Using kinetic equilibria constrained by edge profile measurements, the MHD simulations show that the n = 1 NTM and its harmonics can be destabilized at the pedestal top of QH-mode plasma by the edge bootstrap current. The simulations further show that the unstable NTMs can saturate either at small (<2% ψN) or large (>4% ψN) island width depending on the magnitude of the edge bootstrap current, where ψN is the normalized radius in poloidal flux. The onset of the EHO also results in a prompt decrease in the pedestal width and height, consistent with simulation results for the onset of the NTM at the top of the QH-mode pedestal. This suggests that the avoidance of edge-localized modes (ELMs) in QH-mode can be attributed to the enhanced local transport induced by the NTM that is sufficient to prevent the expansion of the pedestal to an unstable width, analogous to the mechanism explored for ELM suppression by resonant magnetic perturbations. Nonlinear MHD simulations scanning the E × B frequency and the ratio of parallel and perpendicular thermal diffusivity (χǁ/χ⊥) at the pedestal top show that edge-localized NTMs are destabilized for conditions of high E × B frequency, high pedestal temperature, and low pedestal density, qualitatively consistent with experimental conditions required for observing the EHO.
A semi-empirical force balance-based model to capture sessile droplet spread on smooth surfaces: A moving front kinetic Monte Carlo study
Authors: Chaffart Donovan , Shi Songlin , Ma Chen , Lv Cunjing , Ricardez-Sandoval Luis A.
Published: February 2023

This study reports the development of a semi-empirical force balance-based moving front kinetic Monte Carlo (FB-MFkMC) model to describe droplet spreading on a smooth surface. The proposed model depicts the state-by-state evolution of a sessile droplet in a stochastic manner that captures the molecular-level events taking place in an accurate yet efficient manner. In the developed model, the movement of the droplet triple contact line is depicted using rate expressions that detail the probability that the contact line will locally advance over a set distance at each time point. These rate expressions are derived based on the force balance acting upon the droplet interface, which is captured using analytical inertial and capillary expressions from the literature. This work furthermore derives a new semi-empirical expression to depict the viscous damping force acting on the droplet. The derived viscous force term depends on a fitted parameter c, whose value was observed to vary solely depending on the droplet liquid as captured predominantly by the droplet Ohnesorge number. The proposed FB-MFkMC approach is subsequently validated using data obtained both from conducted experiments and from the literature to support the robustness of the framework. The predictive capabilities of the developed model are further inspected to provide insights on the sessile droplet system behavior.
Blowing up Ti3C2TX MXene membrane for robust sound detection
Authors: Pei Yangyang , Wang Ke , Hui Zengyu , Pan Hongqing , Zhou Jinyuan , Sun Gengzhi
Published: February 2023

Flexible pressure sensors have attracted great attention in health monitoring, human–machine interface, and soft robotics because of their simple device structure and easy to read signals. Two-dimensional (2D) materials (e.g., MXene) are promising candidates for constructing flexible pressure sensors due to their high conductivity and solution-based processability. Typically, during filtration, micrometer-sized MXene nanosheets are assembled into a thin membrane with plenty of wrinkles and folds in order to minimize the total energy. Herein, by taking advantage of this phenomenon, hydrazine hydrate is employed as a foaming agent to blow up the wrinkles and folds of MXene nanosheets in the membrane by gas species generated from the redox reactions, forming a porous foam. The as-prepared pressure sensor shows high sensitivity for a wide linear range (102.89 kPa−1 for 0–0.5 kPa and 2.86 kPa−1 for 2–10 kPa), low detection limit (1 Pa), fast response time (132 ms), and excellent durability (over 5000 cycles). As a detector, the MXene sensor can not only identify different sound signals and sound attributes by monitoring the vocal cord vibration but also distinguish various natural sounds transmitted through the air pressure waves caused by the sound transmission.
Si doping of
β
-Ga2O3 by disilane via hybrid plasma-assisted molecular beam epitaxy
Authors: Wen Zhuoqun , Khan Kamruzzaman , Zhai Xin , Ahmadi Elaheh
Published: February 2023

Obtaining uniform silicon concentration, especially with low concentrations (ranging from 1 × 1016 to 1 × 1018 cm−3) by molecular beam epitaxy, has been challenging due to oxidation of a silicon solid source in the oxide environment. In this work, Si doping of β-Ga2O3 (010) films by diluted disilane as the Si source is investigated using hybrid plasma-assisted molecular beam epitaxy. The impact of growth temperature, disilane source concentration, and disilane flow rate on Si incorporation was studied by secondary ion mass spectrometry. Uniform Si concentrations ranging from 3 × 1016 to 2 × 1019 cm−3 are demonstrated. Si-doped β-Ga2O3 films with different silicon concentrations were grown on Fe-doped β-Ga2O3 (010) substrates. The electron concentration and mobility were determined using van de Pauw Hall measurements. A high mobility of 135 cm2/V s was measured for an electron concentration of 3.4 × 1017 cm−3 at room temperature.
Intraluminal pressure elevates intracellular calcium and contracts CNS pericytes: Role of voltage-dependent calcium channels
Authors: Klug Nicholas R. , Sancho Maria , Gonzales Albert L. , Heppner Thomas J. , O’Brien Rochelle Irene C. , Hill-Eubanks David , Nelson Mark T.
Published: February 2023

Arteriolar smooth muscle cells (SMCs) and capillary pericytes dynamically regulate blood flow in the central nervous system in the face of fluctuating perfusion pressures. Pressure-induced depolarization and Ca
2+
elevation provide a mechanism for regulation of SMC contraction, but whether pericytes participate in pressure-induced changes in blood flow remains unknown. Here, utilizing a pressurized whole-retina preparation, we found that increases in intraluminal pressure in the physiological range induce contraction of both dynamically contractile pericytes in the arteriole-proximate transition zone and distal pericytes of the capillary bed. We found that the contractile response to pressure elevation was slower in distal pericytes than in transition zone pericytes and arteriolar SMCs. Pressure-evoked elevation of cytosolic Ca
2+
and contractile responses in SMCs were dependent on voltage-dependent Ca
2+
channel (VDCC) activity. In contrast, Ca
2+
elevation and contractile responses were partially dependent on VDCC activity in transition zone pericytes and independent of VDCC activity in distal pericytes. In both transition zone and distal pericytes, membrane potential at low inlet pressure (20 mmHg) was approximately −40 mV and was depolarized to approximately −30 mV by an increase in pressure to 80 mmHg. The magnitude of whole-cell VDCC currents in freshly isolated pericytes was approximately half that measured in isolated SMCs. Collectively, these results indicate a loss of VDCC involvement in pressure-induced constriction along the arteriole-capillary continuum. They further suggest that alternative mechanisms and kinetics of Ca
2+
elevation, contractility, and blood flow regulation exist in central nervous system capillary networks, distinguishing them from neighboring arterioles.
Peptide-binding specificity prediction using fine-tuned protein structure prediction networks
Authors: Motmaen Amir , Dauparas Justas , Baek Minkyung , Abedi Mohamad H. , Baker David , Bradley Philip
Published: February 2023

Peptide-binding proteins play key roles in biology, and predicting their binding specificity is a long-standing challenge. While considerable protein structural information is available, the most successful current methods use sequence information alone, in part because it has been a challenge to model the subtle structural changes accompanying sequence substitutions. Protein structure prediction networks such as AlphaFold model sequence-structure relationships very accurately, and we reasoned that if it were possible to specifically train such networks on binding data, more generalizable models could be created. We show that placing a classifier on top of the AlphaFold network and fine-tuning the combined network parameters for both classification and structure prediction accuracy leads to a model with strong generalizable performance on a wide range of Class I and Class II peptide-MHC interactions that approaches the overall performance of the state-of-the-art NetMHCpan sequence-based method. The peptide-MHC optimized model shows excellent performance in distinguishing binding and non-binding peptides to SH3 and PDZ domains. This ability to generalize well beyond the training set far exceeds that of sequence-only models and should be particularly powerful for systems where less experimental data are available.
Judith Agudo: Beware of your inner self-immune attack
Authors: Morgado-Palacin Lucia
Published: February 2023

Judith Agudo studies the mechanisms that adult and cancer stem cells use to evade the immune response with the goals of engineering autoimmunity- and allograft-resistant stem cells and improving the response of cancer stem cells to immunotherapy.
On the use of Kalman filters for high-order mode rejection in PZT-based microscanners
Authors: Frigerio Paolo , Cozzi Sara , Molinari Luca , Barbieri Andrea , Carminati Roberto , Merli Massimiliano , Langfelder Giacomo
Published: February 2023

This work discusses and compares two strategies for closed-loop control of quasi-static silicon mirrors for raster-scanning applications, actuated by thin films of lead–zirconate–titanate and with embedded piezoresistive angular displacement sensors. A first feedback control approach, based on piezoresistive readout of the device angular displacement through an integrated sensor, shows limitations related to high-order resonant modes of the mechanical structure. To overcome this issue, a feedback control scheme based on the use of a Kalman filter to estimate the angular displacement and velocity of the scanner is presented, achieving a maximum positioning error of 0.14∘ (1.75% of a 8∘ full-scale angular displacement), and a mean error within

±

0.03
∘

(0.74% peak-to-peak) over 80% of the scanned trace.
Study on surface of polydimethylsiloxane irradiated by laser with assistance of pre-strain and its regulation on cell alignment
Authors: Deng Yu , Xie Kaiwu , Zhong Shiyu , Cai Junjing , Tsui Gary Chi-Pong , Huang Zhenjia , Guo Zhongning , Huang Zhigang
Published: February 2023

In this work, wave-pattern with particles on polydimethylsiloxane (PDMS) surface was induced by laser with the assistant of pre-strain. By analyzing the laser treated surface with an energy dispersive spectrometer, Raman spectra, scanning electron microscope and atomic force microscope, it is found that no chemical modification occurs, but the young’s modulus of the treated surface shifts dramatically to 43.4 MPa. This Young’s modulus change, together with the existence of pre-train, causes buckling phenomenon that forms the wave-pattern with particles when the pre-strain is unloaded. As the laser fluence varies from 7.9 mJ cm−2 to 14.3 mJ cm−2, the wave-pattern with particles only appeared with the pre-strain at 30% and 45%. The laser fluence contributes positively to the length and the amplitude of the wave-pattern, while increased elongation on PDMS results in shorter wavelengths but higher amplitudes. HELA cells were seeded on the treated surface to verify the effect of the wave-pattern with particles on cell alignment. The experimental results show that the wave-pattern with particles improves the cell attachment. It was found that 96.2% of cells align at 0°–15° when the gap between two neighboring treated zones is shorter than the cell length. However, the cell alignment changes its direction to 75°–90° when the treated zone is narrowed and the gap is enlarged. This paper provides a simple method for forming a wave-pattern with particles and utilizes the pattern to regulate cell behavior.
Physics-informed sinogram completion for metal artifact reduction in CT imaging
Authors: Zhu Manman , Zhu Qisen , Song Yuyan , Guo Yi , Zeng Dong , Bian Zhaoying , Wang Yongbo , Ma Jianhua
Published: February 2023

Objective. Metal artifacts in the computed tomography (CT) imaging are unavoidably adverse to the clinical diagnosis and treatment outcomes. Most metal artifact reduction (MAR) methods easily result in the over-smoothing problem and loss of structure details near the metal implants, especially for these metal implants with irregular elongated shapes. To address this problem, we present the physics-informed sinogram completion (PISC) method for MAR in CT imaging, to reduce metal artifacts and recover more structural textures. Approach. Specifically, the original uncorrected sinogram is firstly completed by the normalized linear interpolation algorithm to reduce metal artifacts. Simultaneously, the uncorrected sinogram is also corrected based on the beam-hardening correction physical model, to recover the latent structure information in metal trajectory region by leveraging the attenuation characteristics of different materials. Both corrected sinograms are fused with the pixel-wise adaptive weights, which are manually designed according to the shape and material information of metal implants. To furtherly reduce artifacts and improve the CT image quality, a post-processing frequency split algorithm is adopted to yield the final corrected CT image after reconstructing the fused sinogram. Main results. We qualitatively and quantitatively evaluated the presented PISC method on two simulated datasets and three real datasets. All results demonstrate that the presented PISC method can effectively correct the metal implants with various shapes and materials, in terms of artifact suppression and structure preservation. Significance. We proposed a sinogram-domain MAR method to compensate for the over-smoothing problem existing in most MAR methods by taking advantage of the physical prior knowledge, which has the potential to improve the performance of the deep learning based MAR approaches.
Characterization of breast lesions using multi-parametric diffusion MRI and machine learning
Authors: Mehta Rahul , Bu Yangyang , Zhong Zheng , Dan Guangyu , Zhong Ping-Shou , Zhou Changyu , Hu Weihong , Zhou Xiaohong Joe , Xu Maosheng , Wang Shiwei , Karaman M Muge
Published: February 2023

Objective. To investigate quantitative imaging markers based on parameters from two diffusion-weighted imaging (DWI) models, continuous-time random-walk (CTRW) and intravoxel incoherent motion (IVIM) models, for characterizing malignant and benign breast lesions by using a machine learning algorithm. Approach. With IRB approval, 40 women with histologically confirmed breast lesions (16 benign, 24 malignant) underwent DWI with 11 b-values (50 to 3000 s/mm2) at 3T. Three CTRW parameters, D

m
, α, and β and three IVIM parameters D
diff, D
perf, and f were estimated from the lesions. A histogram was generated and histogram features of skewness, variance, mean, median, interquartile range; and the value of the 10%, 25% and 75% quantiles were extracted for each parameter from the regions-of-interest. Iterative feature selection was performed using the Boruta algorithm that uses the Benjamin Hochberg False Discover Rate to first determine significant features and then to apply the Bonferroni correction to further control for false positives across multiple comparisons during the iterative procedure. Predictive performance of the significant features was evaluated using Support Vector Machine, Random Forest, Naïve Bayes, Gradient Boosted Classifier (GB), Decision Trees, AdaBoost and Gaussian Process machine learning classifiers. Main Results. The 75% quantile, and median of D

m
; 75% quantile of f; mean, median, and skewness of β; kurtosis of D
perf; and 75% quantile of D
diff were the most significant features. The GB differentiated malignant and benign lesions with an accuracy of 0.833, an area-under-the-curve of 0.942, and an F1 score of 0.87 providing the best statistical performance (p-value < 0.05) compared to the other classifiers. Significance. Our study has demonstrated that GB with a set of histogram features from the CTRW and IVIM model parameters can effectively differentiate malignant and benign breast lesions.