bluuebunny/crossref_metadata_2025 huggingface dataset:
Towards a better understanding of the effect of protein conditioning layers on microbial adhesion: a focused investigation of fibronectin and bovine serum albumin layers on SiO2 surfaces
Authors: Rima Maya , Villeneuve-Faure Christina , Soumbo Marvine , El Garah Fatima , Pilloux Ludovic , Roques Christine , Makasheva Kremena
Published: April 2024

Very distinct adhesion behaviour of P. aeruginosa on the surface of SiO2 thin films, observed towards conditioning the surface by two proteins, Fn and BSA. The effect is reinforced by the amount of proteins adsorbed and their organization.
Crystallinity regulation-induced organic degradation on ultra-thin 2D Co3O4/SiO2 nanosheets: the critical trigger of oxygen vacancies
Authors: Bai Wenhui , Lu Hongze , Liu Yang , Yuan Xue , Ai Yuejie , Wang Lidong , Chen Zhe
Published: April 2024

The crystallinity of ultrathin Co3O4 nanosheet was tuned by adjusting the calcination atmosphere. The enriched oxygen vacancies, PMS-binding affinity and rapid Co2+/Co3+ conversion triggered both radical and nonradical reactions for SMX oxidation.
Allamanda cathartica (Linn.) leaf extract-encapsulated phytoemulsions: formulation, characterization and in vitro–in vivo biological evaluations
Authors: Tomar Ritu , Das Sabya Sachi , Sahu Vivek , Kapoor Neha , Chaudhary Divya , Sahoo Jagannath , Rath Santosh Kumar , Kesari Kavindra Kumar
Published: April 2024

The work highlights that Allamanda cathartica (Linn.) leaf extract-encapsulated phytoemulsions exhibited potential antioxidant, anticancer and antibacterial effects with improved solubility, permeability, stability, and biosafety.
Exploring the antimicrobial potential of chitosan nanoparticles: synthesis, characterization and impact on Pseudomonas aeruginosa virulence factors
Authors: Maršík Dominik , Maťátková Olga , Kolková Anna , Masák Jan
Published: April 2024

The escalating antibiotic resistance observed in bacteria poses a significant threat to society, with the global prevalence of resistant strains of Pseudomonas aeruginosa on the rise.
Facile synthesis of nanostructured Ni/NiO/N-doped graphene electrocatalysts for enhanced oxygen evolution reaction
Authors: Madampadi Roshni , Patel Avit Bhogilal , Vinod C. P. , Gupta Ritu , Jagadeesan Dinesh
Published: April 2024

Electrocatalysts containing a Ni/NiO/N-doped graphene interface have been synthesised using the ligand-assisted chemical vapor deposition technique.
NHC-catalyzed stereoselective synthesis of spirooxindole lactones from in situ generated oxindole-embedded o-quinone methides and aldehydes
Authors: Cao Zhengqiang , Hu Fang , Chu Yunpeng , Pei Jiaxue , Hui Xin-Ping
Published: April 2024

A novel N-heterocyclic carbene-catalyzed asymmetric [4 + 2] annulation of in situ generated oxindole-embedded o-quinone methides with α-chloro aldehydes has been developed for the synthesis of spirooxindole lactones.
Halogen-bond-promoted direct cross-coupling of ethyl 3-bromo-3-alkyl-2,2-difluoropropanoates with coumarins/quinolinones
Authors: Pu Guoliang , Song Shi-Yuan , Yang Jian , Guo Peng , Jia Jia , Liu Peijun , Li Xuefei , Liu Ping , He Chun-Yang
Published: April 2024

A practical method for the cross-coupling of ethyl 3-bromo-3-alkyl-2,2-difluoropropanoates with coumarins/quinolinones was developed. The IC50 values of 3l against Huh-7 and A549 cells were determined to be 4.6 μM and 6.8 μM, respectively.
Catalytic ortho C–H methylation and trideuteromethylation of arylthianthrenium salts via the Catellani strategy
Authors: Chen Chen , Zhang Xiao-Xu , Wang Zi-Yi , Ni Chunjie , Zhu Bolin
Published: April 2024

We report a Pd/NBE cooperative catalyzed ortho C–H methylation and trideuteromethylation of arylthianthrenium salts, enabling the efficient synthesis of a wide variety of (trideutero)methylated arenes in moderate to good yields.
Rational design of a lysosome-targeted fluorescent probe for monitoring the generation of hydroxyl radicals in ferroptosis pathways
Authors: Zhong Lili , Fu Datian , Xu Jin , Tan Linyan , Wu Haimei , Wang Min
Published: April 2024

A novel hydrocyanine-based turn-on fluorescence probe HCy-Lyso, with excellent lysosome-targeting ability and ˙OH-responsive efficiency, has been applied for monitoring the variation in lysosomal ˙OH levels during ferroptosis.
Highly homogeneous and stable single-walled carbon nanotubes dispersion modified by polyvinylpyrrolidone and alkanolamine in water
Authors: Li Minghua , Yu Shujun , Fang Xiting , Du Zhiqiang , Ge Xiaojin
Published: April 2024

An easy green non-covalent surface functionalization of pristine SWCNT was carried out by using ball grinding technology, resulting in the formation of a highly homogeneous and stable PA-SWCNTs dispersion reported firstly in water.
Efficient dye adsorption of mesoporous activated carbon from bamboo parenchyma cells by phosphoric acid activation
Authors: Yao Yuxuan , Zuo Haifeng , Liu Yijing , Pang Shenghua , Lan Liuqian , Yao Futi , Wu Yongyi , Liu Zhigao
Published: April 2024

In this study, mesoporous activated carbon was prepared from bamboo parenchyma cells for MB removal from water.
Nickel-catalyzed γ-alkylation of cyclopropyl ketones with unactivated primary alkyl chlorides: balancing reactivity and selectivity via halide exchange
Authors: Wang Zheng-Ying , Liu Shi-Zheng , Guo Cong , Cheng Yi-Zheng , Li Qiang , Dou Jianmin , Li Dacheng
Published: April 2024

Nickel-catalyzed cross-electrophile coupling of cyclopropyl ketones and alkyl chlorides. High reactivity and selectivity can be achieved with sodium iodide as a cocatalyst that generates a low concentration of alkyl iodide via halide exchange.
Critiquing lab technique videos prior to class: can it improve demonstrated technique?
Authors: Tenney Stephanie M. , Russell Arlene A. , Casey Jennifer R.
Published: April 2024

During COVID-19 remote instruction, instructors were tasked with providing students with authentic laboratory experiences in an out-of-classroom environment. One solution developed for our introductory general chemistry laboratory involved students critiquing readily available technique videos to distinguish between correct and incorrect laboratory technique. After returning to in-person labs in Fall 2021, we incorporated this assessment into the pre-lab assignments in an effort to reduce the cognitive load of learning a new technique. Here we explore whether this critical-review exercise translates into improved technique as measured by precision and accuracy when using a 10 mL volumetric pipet. Additionally, we consider the impact of the pre-lab assignment given the involvement level of the TA, as some TAs are more willing to provide feedback on student technique during the lab period. We found that while students self-report the exercise as useful towards their learning, there are no significant changes in performance for most students. We did, however, find a reduction in the overall outliers and saw improvements when additional feedback (through a TA) was provided as well. These findings indicate that the exercise may be most useful for students who make large errors and who receive little individualized feedback.
A methodological study for the diagnosis of the SARS-Cov-2 infection in human serum with a macrocyclic sensor array
Authors: Bosco Monica Swetha , Topçu Zeki , Pradhan Soumen , Sossah Ariadne , Tsatsaris Vassilis , Vauloup-Fellous Christelle , Agasti Sarit S. , Rozenholc Yves , Gagey-Eilstein Nathalie
Published: April 2024

With a case-control cohort of COVID samples, this study proposes a methodology to use a hypothesis-free sensor array strategy for classifying clinical samples. The protocol includes the design of experiments, data extraction, treatment and analysis.
Modular photoorigami-based 4D manufacturing of vascular junction elements
Authors: Biswas Arpan , Apsite Indra , Rosenfeldt Sabine , Bite Ivita , Vitola Virginija , Ionov Leonid
Published: April 2024

Here, a proof of concept fabrication technique for vascular junctions, particularly T-junction, using photo-responsive coordinated sequential folding of 4D -printed components is reported.
Biomimetic photonic crystal double-network hydrogel for visual and electrical dual signal bluetooth-enabled wearable sensor
Authors: Ke Aojue , Li Chunhao , Dong Boheng , Zhang Xinya
Published: April 2024

The photonic crystal wearable sensor which has visual and electrical dual signal outputs is successfully developed.
Interactions of proteins with heparan sulfate
Authors: Alotaibi Faizah S. , Alsadun Marim M.R. , Alsaiari Sarah A. , Ramakrishnan Krithika , Yates Edwin A. , Fernig David G.
Published: April 2024

Heparan sulfate (HS) is a glycosaminoglycan, polysaccharides that are considered to have arisen in the last common unicellular ancestor of multicellular animals. In this light, the large interactome of HS and its myriad functions in relation to the regulation of cell communication are not surprising. The binding of proteins to HS determines their localisation and diffusion, essential for embryonic development and homeostasis. Following the biosynthesis of the initial heparosan polymer, the subsequent modifications comprise an established canonical pathway and a minor pathway. The more frequent former starts with N-deacetylation and N-sulfation of GlcNAc residues, the latter with C-5 epimerisation of a GlcA residue adjacent to a GlcNAc. The binding of proteins to HS is driven by ionic interactions. The multivalent effect arising from the many individual ionic bonds between a single protein and a polysaccharide chain results in a far stronger interaction than would be expected from an ion-exchange process. In many instances, upon binding, both parties undergo substantial conformational change, the resulting hydrogen and van der Waal bonds contributing significant free energy to the binding reaction. Nevertheless, ionic bonds dominate the protein–polysaccharide interaction kinetically. Together with the multivalent effect, this provides an explanation for the observed trapping of HS-binding proteins in extracellular matrix. Importantly, individual ionic bonds have been observed to be dynamic; breaking and reforming, while the protein remains bound to the polysaccharide. These considerations lead to a model for 1D diffusion of proteins in extracellular matrix on HS, involving mechanisms such as sliding, chain switching and rolling.
Distributed quantized secure bipartite consensus of linear multi‐agent systems with switching topologies and sequential scaling attacks
Authors: Wang Qiang , Ji Shaokang , Wang Xiaofei , Peng Xin , Zhong Weimin
Published: April 2024

This paper considers the secure distributed control consensus problem of linear multi‐agent systems (MASs) under switching topologies, subject to intermittent sequential scaling attacks, which was compelled to scaling factor, attack frequency, duration and cooperative‐competitive networks. First, the scenario of a fixed topology is considered, and a novel control protocol combined with a logarithmic quantizer and relative state measurements of neighbouring agents is discussed. The sighed graph is utilized to characterize the communication topology determined by the information flow directions and captured by the graph Laplacian matrix. After that, sufficient conditions for effectiveness of the developed control methods in guiding the MASs to secure bipartite leader‐following consensus are constructed. Second, the scenario of switching topologies is considered, and it is derived that the secure bipartite consensus will be achieved if the designed state feedback control protocol with the scaling factor, the attack duration, attack frequency and switching signal are selected properly. At last, to prove the effectiveness of the designed controllers, a simulation example depended on the real‐word actual military is introduced.
Fuzzy control allocation of a positionable rotor quadrotor based on log‐barrier optimization and propulsion system fault toleration
Authors: Dehkordi Matin Davoudi , Danesh Mohammad
Published: April 2024

Herein, a control system and a fault tolerance method for the rotor positionable quadrotor are proposed. Quadrotors that have a variable structure are made for different purposes. The rotor‐positionable quadrotor studied here, is a type of drone with a variable structure that has the ability to change the position of its rotors linearly along the axis of each arm. It can be seen that this capability can improve the drone robustness against disturbances and faults in comparison with regular quadcopters. Due to the over‐actuated dynamics of this type of quadrotor, the control allocation scheme based on log‐barrier optimization is employed to obtain the position and speed of each rotor. In this study, it is experimentally shown that rotor positioning not only reduces power consumption but also increases roll and pitch control inputs magnitude. Furthermore, when a fault occurs as a decrease in rotor speed, a fuzzy method is proposed to position the rotors which tolerates the fault. Finally, numerical simulations and experimental tests verified that rotor positioning can bring more robustness, reduction in power consumption, and fault tolerance in some rotor faults capabilities for quadrotors.
An entropy‐based model for quantifying multi‐dimensional traffic scenario complexity
Authors: Huang Ping , Ding Haitao , Chen Hong
Published: April 2024

Quantifying the complexity of traffic scenarios not only provides an essential foundation for constructing the scenarios used in autonomous vehicle training and testing, but also enhances the robustness of the resulting driving decisions and planning operations. However, currently available quantification methods suffer from inaccuracies and coarse‐granularity in complexity measurements due to issues such as insufficient specificity or indirect quantification. The present work addresses these challenges by proposing a comprehensive entropy‐based model for quantifying traffic scenario complexity across multiple dimensions based on a consideration of the essential components of the traffic environment, including traffic participants, static elements, and dynamic elements. In addition, the limitations of the classical information entropy models applied for assessing traffic scenarios are addressed by calculating magnitude entropy. The proposed entropy‐based model is analyzed in detail according to its application to simulated traffic scenarios. Moreover, the model is applied to real world data within a naturalistic driving dataset. Finally, the effectiveness of the proposed quantification model is illustrated by comparing the complexity results obtained for three typical traffic scenarios with those obtained using an existing multi‐factor complexity quantification method.
Design of an optical system equipped with blue LEDs for the irradiation of Drosophila melanogaster cultures
Authors: López-Bautista Mónica , Mejía-Sánchez Jorge Enrique , Ornelas-Rodríguez Francisco Javier , Mesa-Cornejo Viviana Matilde
Published: April 2024

Drosophila melanogaster, better known as the fruit fly, has become a widely used model organism that has allowed us to understand many biological behaviors, from sleep to neurological diseases, behavioral patterns, reproduction, and the circadian cycle, which coordinates biological rhythms in a 24-hour daily cycle through its main Zeitgerber, light, especially blue light. Therefore, the aim of this work was to build an optical setup with a hexagonal design that allowed a large number of D. melanogaster cultures to be irradiated homogeneously with blue light simultaneously. This array can cover an illuminance range from 0 to approximately 600 lux by applying a current variation from 0 to approximately 1 A. It also has a real-time timer to turn the lights on and off, programmed in a 12:12 LD cycle for 24 h. The optical setup with its unique design can become a very useful tool for developing experiments and understanding paradigms related to blue light at genetic, behavioral and neuronal levels, among others that are still unanswered.
Die Rechtsfrage: Müssen Patient*innen Terminausfälle bezahlen?
Authors: Schlegel Thomas
Published: April 2024

Im Praxisalltag erlebe ich immer wieder, dass Patient*innen ihre Termine kurz vorher oder gar nicht absagen. Für diese Termine möchten wir ihnen eine Ausfallrechnung stellen. Dürfen wir das und sind die Patient*innen dazu verpflichtet, diese zu bezahlen?

Therapeutin aus Niedersachsen
Weltweit mehr Gehör für die Physiotherapie – Weltverband der Physiotherapie
Authors: Müller-Winkler Birgit
Published: April 2024

World Physiotherapy vertritt als Weltverband mehr als 600 000 Physiotherapeut*innen aus 128 Ländern. Die deutsche Physiotherapeutin Birgit Müller-Winkler ist eine von 14 festangestellten Mitarbeitenden. Sie beschreibt, welche Aufgaben der Verband erfüllt und was ihre Aufgaben als „Policy Manager“ dort sind.
Deckung komplexer pararektaler Beckendefekte: Rolle der freien
myokutanen Musculus vastus lateralis Lappenplastik
Authors: Demmer Wolfram , Alt Verena , Mert Sinan , Nuernberger Tim , Wachtel Nikolaus , Karcz Konrad , Giunta Riccardo E. , Ehrl Denis
Published: April 2024

Hintergrund Aufgrund eines fortgeschrittenen Rektumkarzinoms kann eine
Eviszeration mit Rektumamputation notwendig werden. Dabei können vor allem bei
entsprechenden Voroperationen und neoadjuvanter Radiatio, ausgedehnte sowie
tiefgreifende Weichteildefekte entstehen, die eine freie mikrovaskuläre
Gewebetransplantation nötig werden lassen. In dieser Fallserie zeigen wir die
erfolgreiche Kombination der muskulokutanen M. vastus lateralis-Lappenplastik
(MVL) mit direktem Anschluss an die A. glutealis superior.

Material und Methoden Wir untersuchten über einen Zeitraum von 47 Monaten,
11 retrospektiv Fälle von Patienten, bei denen dorsale Beckendefekte nach
Eviszeration und Rektumamputation bestanden, die mit lokalen oder regionalen
Mitteln nicht zu verschließen waren. Bei all diesen Patienten erfolgte bei
ausgedehnten Defekten mit tiefen pararektal Wundhöhlen eine Defektdeckung durch
eine freie myokutaner MVL-Lappenplastik mit direkte Gefäßanschluss an die
superioren Glutealgefäße.

Ergebnisse Die Defektgröße betrug im Mittel 290,0 cm² (SD: 131,2; Range:
200–600 cm²). Die Defekttiefe betrug im Mittel 10,5 cm. Die Defekte machten
somit MVL-Lappenplastiken mit einer mittleren Größe von 336,3 cm² notwendig. Es
waren aufgrund von Nachblutungen drei operative Revisionen nötig. Es traten
weder arterielle noch venöse Thrombosen sowie kein Lappenverlust auf. Einzig
wurde eine Lappenspitzennekrose beobachtet, die sekundär per Direktnaht
korrigiert werden konnte. Die Auswertung des Case-Mix ergab einen Wert von im
Mittelwert 24,251 (SD: 21,699; Range: 7,036–65,748) Punkten, was die Komplexität
der Fälle unterstreicht.

Schlussfolgerungen Unsere Ergebnisse zeigen, dass eine freie
mikrovaskuläre MVL-Lappenplastik eine praktikable Therapieoption für pararektale
Defekte darstellt, die nicht durch lokoregionale Methoden verschlossen werden
können. Die A. glutea superior ist dafür ein sicheres und suffizientes
Anschlussgefäß. In Kombination lassen sich auch ausgedehnte Defekte erfolgreich
verschließen.
Tratamento cirúrgico de lesão periparto do anel pélvico: Relato de caso
Authors: Lima Ewerton Borges de Souza , Janco Marco Antonio Rojas , Saturnino Ubiratan Stefani de Oliveira , Leal Tarcísio Alves , Reis Fernando Baldy dos , Cocco Luiz Fernando
Published: April 2024

Durante o período gestacional, ocorre a dilatação da sínfise púbica, de forma a permitir o parto vaginal. No entanto, o alargamento exacerbado pode indicar lesão ligamentar, instabilidade pélvica, e desencadear queixa álgica importante. Tal quadro é uma condição incomum, denominada disjunção da sínfise púbica periparto (DSPP). Neste artigo, relatamos o caso de uma paciente com idade gestacional de 38 semanas que mantinha queixa álgica intensa na região lombar e pélvica, irradiada para o quadril e o joelho direito, após parto normal de gestação única, sem intercorrências obstétricas. A paciente apresentava extenso edema e equimose vulvar, e exames radiográficos evidenciaram disjunção da sínfise púbica de 7 cm e abertura da articulação sacroilíaca direita. Há controvérsias na literatura quanto à indicação do tratamento desses casos, mas os achados clínicos e radiográficos motivaram a opção pelo tratamento cirúrgico. Realizou-se o fechamento da sínfise púbica com placas ortogonais, além da estabilização da articulação sacroilíaca com parafuso percutâneo. A paciente fez acompanhamento ambulatorial por seis meses, com boa evolução e sem intercorrências, e retornou às atividades laborais com dor mínima, boa função e satisfação com o tratamento.
Retained Biliary Plastic Stents: Clinical Presentation, Complications, and Management
Authors: Patwardhan Nitish , Kale Aditya , Patra Biswa Ranjan , Pujalwar Shashank , Vaidya Arun , Harindranath Sidharth , Singh Ankita , Padole Vaibhav , Yadav Jitendra , Shukla Akash
Published: April 2024

Background Biliary plastic stent (PS) mandates timely removal or replacement. The coronavirus disease 2019 (COVID-19) pandemic had affected the accessibility to medical therapy resulting in delay. We evaluated the burden of retained biliary PS, clinical profile, and impact of COVID-19 pandemic on stent retention.

Material and Method Endoscopy database records between November 2019 and April 2022 were reviewed retrospectively to identify patients who had undergone stent exchange or removal > 3 months, that is, retained stents. Demography, comorbidity, indication and outcomes of index endoscopic retrograde cholangiopancreatography, size and duration of indwelling biliary PS, clinical presentation, imaging findings, cholangiography findings, stent-related complications, and stone formation and endotherapy details were noted.

Results A total of 252 patients (100 [39.68%] males; median age 47 years [interquartile range [IQR] 32–56 years]) had common bile duct (CBD) stent retention. Median duration of retained CBD stent was 5 months (IQR = 4–6 months). Seventy (27.8%) were symptomatic with cholangitis (22, 8.7%), only jaundice (16, 6.3%), and only biliary abdominal pain (32, 12.7%). Sixty-one of 70 (87.1%) had abnormal imaging; 59/70 (84.3%) had new onset biliary stone or sludge (p ≤ 0.005). Stent retention > 6 months was significantly associated with stent fragmentation (0 vs. 20, p < 0.005) and choledocholithiasis (9 vs. 58, p < 0.005). Small caliber stent retention was more symptomatic (7 vs. 10 French [12/28 [42.85%] vs. 58/224 [25%], p = 0.049]). Univariate logistic regression analysis showed serum aspartate aminotransferase (AST), alkaline phosphatase levels, and CBD stent retention > 6 months were significantly associated with complications. On multivariate logistic regression analysis, serum AST > 2× upper limit normal (odds ratio [OR] = 5.487, 95% confidence interval [CI] = 3.1–9.9, p ≤ 0.005) and CBD stent retention > 6 months (OR = 8.6, CI = 3.1–23.92, p ≤ 0.005) were associated with complications. Out of 101 COVID-19 pandemic-attributed delay, 56/101 (55.44%) had symptomatic stent dysfunction. Endoscopic technical success rate was 97%, unsuccessful ones were due to large stones and impacted stents; with no mortality.

Conclusion CBD PS stent retention, although mostly asymptomatic, can result in significant morbidity like jaundice, cholangitis, stent migration, fragmentation, or impaction in one-fourth of patients. Use of 7 Fr stent, retention duration > 6 months, abnormal imaging findings, and AST > twice the upper limit were significantly associated with complications. Endoscopic management was successful in 97% of patients.
Luxação traumática bilateral assimétrica do quadril: Relato de caso
Authors: Sanagiotto Mauricio Hoffmann , Unfried Ricardo Issler , Ribeiro Tiango Aguiar
Published: April 2024

Luxações traumáticas do quadril são traumas graves, resultado de mecanismos de alta energia, constituindo-se uma das emergências ortopédicas. A epidemiologia da luxação bilateral assimétrica do quadril se apresenta como uma condição ortopédica raríssima. O diagnóstico breve e a redução urgente são essenciais, devido ao alto risco de complicações futuras. O objetivo deste relato é descrever o caso de um homem de 81 anos, vítima de acidente automobilístico que apresentou luxação traumática bilateral assimétrica do quadril, visando aumentar os dados limitados sobre o tema, através da discussão do mecanismo, manejo, seguimento e epidemiologia.
Improved temporal resolution in ultrafast electron diffraction measurements through THz compression and time-stamping
Authors: Othman Mohamed A. K. , Gabriel Annika E. , Snively Emma C. , Kozina Michael E. , Shen Xiaozhe , Ji Fuhao , Lewis Samantha , Weathersby Stephen , Vasireddy Praful , Luo Duan , Wang Xijie , Hoffmann Matthias C. , Nanni Emilio A.
Published: April 2024

We present an experimental demonstration of ultrafast electron diffraction (UED) with THz-driven electron bunch compression and time-stamping that enables UED probes with improved temporal resolution. Through THz-driven longitudinal bunch compression, a compression factor of approximately four is achieved. Moreover, the time-of-arrival jitter between the compressed electron bunch and a pump laser pulse is suppressed by a factor of three. Simultaneously, the THz interaction imparts a transverse spatiotemporal correlation on the electron distribution, which we utilize to further enhance the precision of time-resolved UED measurements. We use this technique to probe single-crystal gold nanofilms and reveal transient oscillations in the THz near fields with a temporal resolution down to 50 fs. These oscillations were previously beyond reach in the absence of THz compression and time-stamping.
Predicted thermophysical properties of UN, PuN, and (U,Pu)N
Authors: Galvin C. O. T. , Kuganathan N. , Barron N. J. , Grimes R. W.
Published: April 2024

Molecular dynamics and density functional theory simulations are used to predict the lattice and electronic contributions of thermophysical properties for UN, PuN, and mixed (U,Pu)N systems. The properties predicted include the lattice parameter, linear thermal expansion, enthalpy, and specific heat capacity, as a function of temperature. The simulation predictions for high temperature specific heat capacity are compared against experimental measurements to understand the behavior, and why differences in the experimental measurements are observed. The influence of adding U vacancies, N interstitials, and Pu to UN is also examined. For this, a new PuN potential parameter set is developed and used with the Kocevski UN potential, enabling the dynamics of mixed (U,Pu)N systems to be studied. How defects impact the thermophysical properties is important for understanding fuel behavior under different reactor conditions, and these mechanistic predictions can be used to support fuel performance codes where data is scarce.
Controllable memory window in two-dimensional hybrid van der Waals heterostructured devices
Authors: Zhao Huijuan , Ma Jingxuan , Li Shuhan , Yang Yang , Wang Zhangxia , Luo Zhongzhong , Guo Xiaohan , Luo Bing , Zhu Li , Wang Lianhui , Gao Li
Published: April 2024

Van der Waals (vdW) heterostructures based on inorganic layered materials have been demonstrated as potential candidates for a variety of electronic applications due to their flexibility in energy band engineering. However, the presence of unstable charge-trapping states in atomically thin two-dimensional (2D) materials may limit the performance of devices. Here, we aim to conduct a systematic investigation on hybrid heterostructured memory devices that consist of 2D layered organic and inorganic materials. The objective is to explore the potential of these devices in offering efficient charge-trapping states. Molybdenum disulfide (MoS2) is employed as a channel, while N, N′-Dimethyl-3,4,9,10-perylenedicarboximide (Me-PTCDI) serves as the charge-trapping layer to store charges from MoS2. The hysteresis window of these heterostructured devices can be effectively modified within a range of 13–70 V by manipulating both the thickness of the organic layer and the gate voltages. The largest hysteresis window is found in a combination of a few-layer Me-PTCDI (12.6 nm) and MoS2 (6 nm), showing a high on/off current ratio (>104) and a long retention time (104 s). Furthermore, the endurance test, which lasts for over 1000 cycles, demonstrates an exceptional level of stability and reliability. In addition, multilevel memory effects can be observed when gate pulses with different widths and amplitudes are applied. These 2D hybrid heterostructured devices have the capability to broaden the scope of material systems and present substantial potential for functional neuromorphic applications.
Conduction-band engineering of polar nitride semiconductors with wurtzite ScAlN for near-infrared photonic devices
Authors: Gopakumar Govardan , Abdin Zain Ul , Kumar Rajendra , Dzuba Brandon , Nguyen Trang , Manfra Michael J. , Malis Oana
Published: April 2024

Wurtzite ScxAl1−xN/GaN (x = 0.13–0.18) multi-quantum wells grown by molecular beam epitaxy on c-plane GaN are found to exhibit remarkably strong and narrow near-infrared intersubband absorption in the technologically important 1.8–2.4 μm range. Band structure simulations reveal that, for GaN wells wider than 3 nm, the quantized energies are set by the steep triangular profile of the conduction band caused by intrinsic polarization fields. As a result, the intersubband transition energies provide unique and direct access to essential ScAlN polarization parameters. Measured infrared absorption indicates that the spontaneous polarization difference of the presumed lattice-matched Sc0.18Al0.82N/GaN heterostructure is smaller than the theoretically calculated value. The intersubband transition energies are relatively insensitive to the barrier alloy composition indicating negligible variation of the net polarization field in the probed 0.13–0.18 Sc composition range.
Fully resolved simulation of spherical and non-spherical particles in a turbulent channel flow
Authors: Giahi Mohammad , Bergstrom Donald
Published: April 2024

This paper investigates the behavior of finite-size particles in a turbulent channel flow using a custom direct numerical simulation solver within the FOAM-Extend framework. The solver integrates the cut-cell immersed boundary module with a Lagrangian particle-tracking subroutine capable of simulating the motion of both spherical and non-spherical particles. The study investigates the complex interactions between particles and turbulent structures, offering insights into how particle shape and orientation affect their behavior within the flow field. Additionally, it examines the collision dynamics of two spherical particles in a turbulent channel. The simulations reveal that particle shape significantly influences particle trajectories, rotation, and their interactions with turbulent structures. The Q-criterion visualization showed the creation of hairpin and vortex ring structures shed by the particles. Finally, the close proximity and collision of particles was shown to significantly modify the flow pattern and particle dynamics.
On the study of the pitch angular offset effects at various flapping frequencies for a two-dimensional asymmetric flapping airfoil in forward flight
Authors: Sinha Jit , Dash Sunil Manohar , Lua Kim Boon
Published: April 2024

This article explores the aerodynamic performance of a two-dimensional elliptical airfoil undergoing sinusoidal heaving and asymmetric pitching motions in forward-flight conditions for the Strouhal number (St) range of 0.1–0.6. The study employs numerical simulations and water tunnel experiments to investigate the effects of non-zero pitch angular offset angles (θoffset) while maintaining a fixed Reynolds number of 5000 and an effective angle of attack amplitude of 15° at the pivot location. The θoffset is varied from −15° to +15° at 5° intervals. The present research shows that these parameters significantly impact the leading-edge effective angle of attack, flow velocity, and the formation of high-pressure regions, which are crucial factors in thrust and lift generation throughout the flapping cycle. Moreover, the pitch angle determines whether the resultant force favors thrust or lift. It is observed that the cyclic time-averaged lift consistently increases with θoffset, surpassing symmetric cases (θoffset = 0°). Conversely, the cyclic time-averaged thrust is lower for non-zero θoffset values. Increasing St enhances both cyclic time-averaged thrust and lift up to the respective critical Sts, after which their performance declines. Notably, the critical St of cyclic time-averaged lift exceeds that of cyclic time-averaged thrust; interestingly, their values are invariant with θoffset. Moreover, in the conditions where thrust efficiency maximizes, lift efficiency attains a minimum value and vice versa. So, depending upon the application, one needs to suitably select the pitch angular offset and flapping frequency to maximize thrust or lift performance.
Acceleration mechanisms of energetic ion debris in laser-driven tin plasma EUV sources
Authors: Totorica S. R. , Lezhnin K. , Hemminga D. J. , Gonzalez J. , Sheil J. , Diallo A. , Hyder A. , Fox W.
Published: April 2024

Laser-driven tin plasmas are driving new-generation nanolithography as sources of extreme ultraviolet (EUV) radiation centered at 13.5 nm. A major challenge facing industrial EUV source development is predicting energetic ion debris produced during the plasma expansion that may damage the sensitive EUV channeling multilayer optics. Gaining a detailed understanding of the plasma dynamics and ion acceleration mechanisms in these sources could provide critical insights for designing debris mitigation strategies in future high-power EUV sources. We develop a fully kinetic model of tin-EUV sources using one-dimensional particle-in-cell simulations to study ion debris acceleration, which will be valuable for cross-validation of radiation-hydrodynamic simulations. An inverse-bremsstrahlung heating operator is used to model the interaction of a tin target with an Nd:YAG laser, and thermal conduction is included through a Monte Carlo Coulomb collision operator. While the large-scale evolution is in reasonable agreement with analogous hydrodynamic simulations, the significant timescale for collisional equilibration between electrons and ions allows for the development of prominent two-temperature features. A collimated flow of energetic ions is produced with a spectrum that is significantly enhanced at high energies compared to fluid simulations. The dominant acceleration mechanism is found to be a large-scale electric field supported mainly by the electron pressure gradient, which is enhanced in the kinetic simulations due to the increased electron temperature. We discuss the implications of these results for future modeling of tin-EUV sources and the development of debris mitigation schemes.
Exploring induced microstructural changes in magnetically modified crude oils through nonlinear rheology and magnetometry
Authors: Contreras-Mateus M. Daniela , Chaves-Guerrero Arlex , Nassar Nashaat N. , Sánchez Francisco H.
Published: April 2024

Adsorptive phenomena involving dispersed iron oxide superparamagnetic nanoparticles and asphaltenes in crude oil have been profiled as promising technological alternatives, particularly since these interactions can induce significant structural changes within the oil matrices, effectively inhibiting the formation of complex long-range viscoelastic structures. Furthermore, the effect of adsorbed asphaltenes on magnetic dipolar interactions among particles has been proven, showing the formation of multiple asphaltene layers that stimulate a steric repulsive barrier. Despite the discussed hindering phenomena, this research demonstrated the effectiveness of the sequence of physical processes framework to provide intra-cycle structure-rheological interpretations in large amplitude oscillatory shear of a ferrofluid-modified heavy oil, upon the application of an external magnetic field. The analysis proved that disordered nanoparticle/asphaltene aggregates are highly extended and naturally formed in the absence of magnetic forces. In contrast, in the presence of a perpendicular field applied by a controlled rate magneto-rheometer, the formation of interacting structural aggregates of several hundred nanometers was observed, analogous to magnetorheological fluids. These results were validated by adjusting a phenomenological model that effectively represented the intricate processes involved in the formation and reorientation of aggregates, based on the experimental data acquired from zero-field-cooled and field-cooled magnetization curves. This revealed a distinct blocking temperature distribution at around 274 K, which was linked to Brownian relaxation phenomena exhibited by nanoparticle aggregates. In this regard, this research provided a precise extended description of the effect of magnetic fields on the microstructural organization of complex fluids using nonlinear rheology and magnetometry.
Anomalous Hall effect in 5d/5d SrTaO3/SrIrO3 superlattices driven by ferromagnetism and spin–orbit coupling
Authors: Zhang Xiaoyu , Pang Zhentao , Li Yi-Chi , Yan Mingyuan , Lv Yang-Yang , Deng Yu , Zhang Shan-Tao
Published: April 2024

The observation of the anomalous Hall effect (AHE) in 5d perovskite oxides has been challenging due to their lack or weak ferromagnetic order, which is necessary for breaking time-reversal symmetry. Here, we present compelling evidence of ferromagnetism and consequent AHE in a series of carefully designed and fabricated 5d/5d SrTaO3/SrIrO3 (STO/SIO) superlattices. The coexistence of Ta5+ and Ta4+ chemical states induces ferromagnetism in the STO layer, while the interfacial magnetic proximity effect further enhances it in the SIO layer, resulting in both ferromagnetism and AHE within the STO/SIO superlattice. Additionally, the strong spin–orbit coupling between Ta and Ir elements positively contributes to enhancing the AHE. This work offers an alternative approach for designing artificial materials with AHE and holds potential for advancing spintronics.
Fabrication of nanofiber yarns via electro-blown and hang-fiber process
Authors: Zeng Jun , Chen Ying , Xu Guojie , Shi Zhuohao , Luo Zhifeng , Liu Fengbin , Chen Xiaojie , Zou Zebiao , Wang Han , Du Zhiyun
Published: April 2024

Continuous nanofiber yarns were prepared using the electro-blown and hanging yarn process. Unlike typical electrospinning devices, this method uniquely controls the spinning process to induce the hanging phenomenon, and the resulting hanging yarn is twisted to form nanofiber yarns. A polyvinylidene fluoride nanofiber yarn was successfully prepared using the electro-blown and hanging yarn process. Scanning electron microscopy observations confirmed that the nanofibers prepared by this method exhibited good orientation within the yarn. The results indicate that the conductivity of the polymer solution and the applied voltage are crucial for inducing the hanging yarn process, ensuring stable continuous spinning. A possible mechanism is proposed, suggesting that adjusting the solution’s conductivity and controlling the spinning voltage can utilize defects in the yarn-hanging process during spinning to prepare nanofiber yarns.
Review of Scientific Instruments New Products
Authors: Mandelis Andreas
Published: April 2024

In order to supplement manufacturers’ information, this department will welcome the submission by our readers of brief communications reporting measurements on the physical properties of materials that supersede earlier data or suggest new research applications.
Predicting resilience of migratory birds to environmental change
Authors: Lisovski Simeon , Hoye Bethany J. , Conklin Jesse R. , Battley Phil F. , Fuller Richard A. , Gosbell Ken B. , Klaassen Marcel , Benjamin Lee Chengfa , Murray Nicholas J. , Bauer Silke
Published: April 2024

The pace and scale of environmental change represent major challenges to many organisms. Animals that move long distances, such as migratory birds, are especially vulnerable to change since they need chains of intact habitat along their migratory routes. Estimating the resilience of such species to environmental changes assists in targeting conservation efforts. We developed a migration modeling framework to predict past (1960s), present (2010s), and future (2060s) optimal migration strategies across five shorebird species (Scolopacidae) within the East Asian-Australasian Flyway, which has seen major habitat deterioration and loss over the last century, and compared these predictions to empirical tracks from the present. Our model captured the migration strategies of the five species and identified the changes in migrations needed to respond to habitat deterioration and climate change. Notably, the larger species, with single or few major stopover sites, need to establish new migration routes and strategies, while smaller species can buffer habitat loss by redistributing their stopover areas to novel or less-used sites. Comparing model predictions with empirical tracks also indicates that larger species with the stronger need for adaptations continue to migrate closer to the optimal routes of the past, before habitat deterioration accelerated. Our study not only quantifies the vulnerability of species in the face of global change but also explicitly reveals the extent of adaptations required to sustain their migrations. This modeling framework provides a tool for conservation planning that can accommodate the future needs of migratory species.
Impact of repeated blast exposure on active-duty United States Special Operations Forces
Authors: Gilmore Natalie , Tseng Chieh-En J. , Maffei Chiara , Tromly Samantha L. , Deary Katryna B. , McKinney Isabella R. , Kelemen Jessica N. , Healy Brian C. , Hu Collin G. , Ramos-Llordén Gabriel , Masood Maryam , Cali Ryan J. , Guo Jennifer , Belanger Heather G. , Yao Eveline F. , Baxter Timothy , Fischl Bruce , Foulkes Andrea S. , Polimeni Jonathan R. , Rosen Bruce R. , Perl Daniel P. , Hooker Jacob M. , Zürcher Nicole R. , Huang Susie Y. , Kimberly W. Taylor , Greve Douglas N. , Mac Donald Christine L. , Dams-O’Connor Kristen , Bodien Yelena G. , Edlow Brian L.
Published: April 2024

United States (US) Special Operations Forces (SOF) are frequently exposed to explosive blasts in training and combat, but the effects of repeated blast exposure (RBE) on SOF brain health are incompletely understood. Furthermore, there is no diagnostic test to detect brain injury from RBE. As a result, SOF personnel may experience cognitive, physical, and psychological symptoms for which the cause is never identified, and they may return to training or combat during a period of brain vulnerability. In 30 active-duty US SOF, we assessed the relationship between cumulative blast exposure and cognitive performance, psychological health, physical symptoms, blood proteomics, and neuroimaging measures (Connectome structural and diffusion MRI, 7 Tesla functional MRI, [
11
C]PBR28 translocator protein [TSPO] positron emission tomography [PET]-MRI, and [
18
F]MK6240 tau PET-MRI), adjusting for age, combat exposure, and blunt head trauma. Higher blast exposure was associated with increased cortical thickness in the left rostral anterior cingulate cortex (rACC), a finding that remained significant after multiple comparison correction. In uncorrected analyses, higher blast exposure was associated with worse health-related quality of life, decreased functional connectivity in the executive control network, decreased TSPO signal in the right rACC, and increased cortical thickness in the right rACC, right insula, and right medial orbitofrontal cortex—nodes of the executive control, salience, and default mode networks. These observations suggest that the rACC may be susceptible to blast overpressure and that a multimodal, network-based diagnostic approach has the potential to detect brain injury associated with RBE in active-duty SOF.
PML::RARA and GATA2 proteins interact via DNA templates to induce aberrant self-renewal in mouse and human hematopoietic cells
Authors: Katerndahl Casey D. S. , Rogers Olivia R. S. , Day Ryan B. , Xu Ziheng , Helton Nichole M. , Ramakrishnan Sai Mukund , Miller Christopher A. , Ley Timothy J.
Published: April 2024

The underlying mechanism(s) by which the PML::RARA fusion protein initiates acute promyelocytic leukemia is not yet clear. We defined the genomic binding sites of PML::RARA in primary mouse and human hematopoietic progenitor cells with V5-tagged PML::RARA, using anti-V5-PML::RARA chromatin immunoprecipitation sequencing and CUT&RUN approaches. Most genomic PML::RARA binding sites were found in regions that were already chromatin-accessible (defined by ATAC-seq) in unmanipulated, wild-type promyelocytes, suggesting that these regions are “open” prior to PML::RARA expression. We found that GATA binding motifs, and the direct binding of the chromatin “pioneering factor” GATA2, were significantly enriched near PML::RARA binding sites. Proximity labeling studies revealed that PML::RARA interacts with ~250 proteins in primary mouse hematopoietic cells; GATA2 and 33 others require PML::RARA binding to DNA for the interaction to occur, suggesting that binding to their cognate DNA target motifs may stabilize their interactions. In the absence ofPML::RARA,Gata2overexpression induces many of the same epigenetic and transcriptional changes asPML::RARA. These findings suggested thatPML::RARAmay indirectly initiate its transcriptional program by activatingGata2expression: Indeed, we demonstrated that inactivation ofGata2prior toPML::RARAexpression prevented its ability to induce self-renewal. These data suggested that GATA2 binding creates accessible chromatin regions enriched for both GATA and Retinoic Acid Receptor Element motifs, where GATA2 and PML::RARA can potentially bind and interact with each other. In turn, PML::RARA binding to DNA promotes a feed-forward transcriptional program by positively regulatingGata2expression.Gata2may therefore be required forPML::RARAto establish its transcriptional program.
Single-molecule tracking reveals dual front door/back door inhibition of Cel7A cellulase by its product cellobiose
Authors: Nong Daguan , Haviland Zachary K. , Zexer Nerya , Pfaff Sarah A. , Cosgrove Daniel J. , Tien Ming , Anderson Charles T. , Hancock William O.
Published: April 2024

Degrading cellulose is a key step in the processing of lignocellulosic biomass into bioethanol. Cellobiose, the disaccharide product of cellulose degradation, has been shown to inhibit cellulase activity, but the mechanisms underlying product inhibition are not clear. We combined single-molecule imaging and biochemical investigations with the goal of revealing the mechanism by which cellobiose inhibits the activity of
Trichoderma reesei
Cel7A, a well-characterized exo-cellulase. We find that cellobiose slows the processive velocity of Cel7A and shortens the distance moved per encounter; effects that can be explained by cellobiose binding to the product release site of the enzyme. Cellobiose also strongly inhibits the binding of Cel7A to immobilized cellulose, with a K
i
of 2.1 mM. The isolated catalytic domain (CD) of Cel7A was also inhibited to a similar degree by cellobiose, and binding of an isolated carbohydrate-binding module to cellulose was not inhibited by cellobiose, suggesting that cellobiose acts on the CD alone. Finally, cellopentaose inhibited Cel7A binding at micromolar concentrations without affecting the enzyme’s velocity of movement along cellulose. Together, these results suggest that cellobiose inhibits Cel7A activity both by binding to the “back door” product release site to slow activity and to the “front door” substrate-binding tunnel to inhibit interaction with cellulose. These findings point to strategies for engineering cellulases to reduce product inhibition and enhance cellulose degradation, supporting the growth of a sustainable bioeconomy.