bluuebunny/crossref_metadata_2025 huggingface dataset:
Hybrid bio-nanoporous peptide loaded-polymer platforms with anticancer and antibacterial activities
Authors: Icriverzi Madalina , Florian Paula Ecaterina , Bonciu Anca , Dumitrescu Luminita Nicoleta , Moldovan Antoniu , Pelinescu Diana , Ionescu Robertina , Avram Ionela , Munteanu Cristian V. A. , Sima Livia Elena , Dinca Valentina , Rusen Laurentiu , Roseanu Anca
Published: February 2024

pNIPAM-co-BA coatings featuring nanopore biointerfaces obtained vis laser methods incorporating magainin/melittin peptides impair bacterial growth and reduce cancer cell proliferation.
Understanding interactions of plasticisers with a phospholipid monolayer
Authors: Gustafsson Emil , Hellsing Maja S. , Rennie Adrian R. , Welbourn Rebecca J. L. , Campana Mario , Hughes Arwel , Li Peixun , Bowden Tim Melander
Published: February 2024

The use of DEHP (diethylhexyl phthalate) is now banned for most applications in Europe; the exception is for blood bags, where its toxicity is overshadowed by its ability to extend the storage life of red blood cells.
Photopolymerization of lichen derived usnic acid
Authors: Zhou Ruby R. , Vargo Jack L. , Andjelkovic Bella G. , Vermeer Maya G. , Goyette Spencer J. , El-Zaatari Bassil M.
Published: February 2024

Usnic acid, a secondary metabolite of many lichen species, is utilized as a natural source of polymer network synthesis.
Graphene exfoliation using multidomain peptides
Authors: Jin Ruitao , Brljak Nermina , Slocik Joseph M. , Rao Rahul , Knecht Marc R. , Walsh Tiffany R.
Published: February 2024

Liquid-phase exfoliation using biomolecules in aqueous solution is a promising approach to obtain high quality 2D nanosheets.
An osteoinductive surface by adhesive bone morphogenetic protein-2 prepared using the bioorthogonal approach for tight binding of titanium with bone
Authors: Ren Xueli , Tsuji Hironori , Uchino Takahiko , Kono Izumi , Isoshima Takashi , Okamoto Akimitsu , Nagaoka Noriyuki , Ozaki Toshifumi , Matsukawa Akihiro , Miyatake Hideyuki , Ito Yoshihiro
Published: February 2024

Adhesive bioactive bone morphogenetic protein-2(BMP-2), prepared by a bioorthogonal approach combining recombinant DNA technology and enzymatic modification, promotes the mechanical binding of titanium to bone, enabling efficient bone regeneration and stabilization of implants.
Unveiling the potential of HKUST-1: synthesis, activation, advantages and biomedical applications
Authors: Yang Liuxuan , Wang Ke , Guo Ling , Hu Xiao , Zhou Meiling
Published: February 2024

HKUST-1 represents a promising biomaterial, functioning not only as a drug carrier but also releasing bioactive copper ions, thereby demonstrating exceptional antitumor, antibacterial, and wound healing properties.
Pargyline-phosphine copper(i) clusters with tunable emission for light-emitting devices
Authors: Huang Qiu-Qin , Lin Yan-Yan , Wang Yu-Ling , Qi Jia yuan , Fu FengFu , Wei Qiao-Hua
Published: February 2024

Three novel Cu(I) clusters (1–3) were synthesized and characterized by strategically by introducing pargyline and phosphine ligands (PPh3 or dppy) to tune the structure and photophysical features. Clusters 1 and 3 exhibit excellent luminescent and are employed for the construction of LEDs.
Reaction of Ph2C(X)(CO2H) (X = OH, NH2) with [VO(OR)3] (R = Et, nPr): structure, magnetic susceptibility and ROP capability
Authors: Glenister Mollie A. , Frese Josef W. A. , Elsegood Mark R. J. , Canaj Angelos B. , Brechin Euan K. , Redshaw Carl
Published: February 2024

Reaction of [VO(OR)3] (R = Et, nPr) with Ph2C(X)CO2H afforded {[VO(OR)(μ-OR)][Ph2C(X)(CO2)]} (X = NH2) or {V8(O)4M(OR)8[Ph2C(X)(CO2)]12} (M = <1 Na, K; X = OH). The systems are capable of the ROP of ε-caprolactone at 130 °C.
Efficient catalysis of Knoevenagel condensation by 1D copper-containing heteropolyoxoniobate at room temperature
Authors: Zuo Ya-Kun , Li Yan-Ru , Sun Yan-Qiong , Li Xin-Xiong , Sun Cai , Zheng Shou-Tian
Published: February 2024

A 1D copper-containing organic–inorganic hybrid heteropolyoxoniobate catalyst for efficient catalysis of Knoevenagel condensation at room temperature.
Turmeric extract-mediated biogenic synthesis of Ag@SeO2 magnetic nanoparticles: characterization, optimization, antibacterial and antioxidant activities
Authors: Ghoniem Abeer A. , Elattar Khaled M. , Al-Otibi Fatimah O. , Elsayed Ashraf , El-Hersh Mohammed S. , El-Khateeb Ayman Y. , Helmy Yosra A. , Saber WesamEldin I. A.
Published: February 2024

Biosynthesis of Ag@SeO2 NC using turmeric extract with promising antibacterial and antioxidant properties, optimized using AI, and confirmed by various techniques.
Uric acid quantification via colorimetric detection utilizing silver oxide-modified activated carbon nanoparticles functionalized with ionic liquid
Authors: Nishan Umar , Ahmed Ateeq , Muhammad Nawshad , Shah Mohibullah , Asad Muhammad , Khan Naeem , Ullah Farman , Ullah Riaz , Ali Essam A. , Nawaz Haq , Badshah Amir
Published: February 2024

Uric acid (UA) is a significant indicator of human health because it is linked to several diseases, including renal failure, kidney stones, arthritis, and gout.
Constructing ultra-stable, high-energy, and flexible aqueous zinc-ion batteries using environment-friendly organic cathodes
Authors: Ding Chaojian , Wang Yonghui , Li Chaobo , Wang Jiawen , Zhang Qichun , Huang Weiwei
Published: February 2024

Aqueous zinc batteries using environment-friendly and sustainable quinone cathodes realize a long life cycle, high active mass loading, and excellent flexibility, showing its potential for application in wearable electronics.
Understanding Cu(i) local environments in MOFs via63/65Cu NMR spectroscopy
Authors: Zhang Wanli , Lucier Bryan E. G. , Terskikh Victor V. , Chen Shoushun , Huang Yining
Published: February 2024

63/65Cu solid-state NMR spectroscopy provides a wealth of information regarding the local geometry and bonding at Cu(i) in metal–organic frameworks. This approach is also applicable when systems contain Cu(ii) centers or at lower magnetic fields.
Self-assembly of amphiphilic asymmetric comb-like copolymers with responsive rigid side chains
Authors: Li Zhengyi , Feng Weisheng , Zhang Xing , Xu Binbin , Wang Liquan , Lin Shaoliang
Published: February 2024

We conducted a computational study on the self-assembly and stimuli-responsive behaviours of amphiphilic asymmetric comb-like copolymers (AACCs).
Supervisory control of quantitative Petri nets for fixed‐initial‐credit energy problems using a game structure
Authors: Zhang Yuling , Liu Gaiyun , Wu Naiqi , Li Zhiwu
Published: February 2024

This work investigates quantitative supervisory control of discrete event systems modeled with Petri nets under the fixed‐initial‐credit energy objective. A weight function referred to as an energy function is defined on a Petri net to characterize the energy level of a transition. The proposed fixed‐initial‐credit energy problem aims to design a supervisor such that the energy level of a transition sequence in a supervised system is higher than 0 under a given initial energy level. The problem is eventually transformed into a two‐player game between a system and a supervisor; supervisor synthesis is reduced to finding a winning strategy in the two‐player game. Instead of enumerating the complete state space of the underlying Petri net, two information structures are utilized, namely the conventional basis reachability graph and the newly proposed essential marking graph, to construct two‐player games based on each of them. It is shown that a winning strategy for a supervisor decoded from the game based on the basis reachability graph of the Petri net is a solution to the problem but is in general restrictive. Further, it is shown that the set of strategies for a supervisor in the game based on the essential marking graph is consistent with that from the game based on the reachability graph of a Petri net. The two developed approaches do not require an exhaustive exploration of the state space of a plant, thus achieving higher efficiency.
A robust complex local mean decomposition method with self‐adaptive sifting stopping
Authors: Mo CanYu , Lin QianQiang , Niu YuanDuo , Du HaoRan
Published: February 2024

Targets with rotating components generate micro‐motion (MM) modulation effect in addition to the main body. Extracting MM parameters is challenging due to interference from the target's main body, necessitating the separation of modulation signals. This letter proposes a robust complex local mean decomposition (RCLMD) method with self‐adaptive sifting stopping, aiming at the problem of component redundancy due to multiple iterations during break and the loss of modulation components during the separation process. The proposed method sets the objective function and self‐adaptive stopping criterion, combined with the modulation signal characteristics, enhancing the accuracy and efficiency of MM component extraction. Simulation experiments show that compared with the complex local mean decomposition method, the complex empirical mode decomposition method, and its improved method, the RCLMD method can achieve the highest decomposition effect of 96.57%, and the separation time consumed has a significant advantage over the above methods, performance is less fluctuating by the change of signal‐to‐noise ratio with good robustness. The measured data in real scenarios also verify the effectiveness of the proposed method.
SPICE connection mosaics to link the Sun’s surface and the heliosphere
Authors: Varesano T. , Hassler D. M. , Zambrana Prado N. , Plowman J. , Del Zanna G. , Parenti S. , Mason H. E. , Giunta A. , Auchère F. , Carlsson M. , Fludra A. , Peter H. , Müller D. , Williams D. , Aznar Cuadrado R. , Barczynski K. , Buchlin E. , Caldwell M. , Fredvik T. , Grundy T. , Guest S. , Harra L. , Janvier M. , Kucera T. , Leeks S. , Schmutz W. , Schuehle U. , Sidher S. , Teriaca L. , Thompson W. , Yardley S. L.
Published: February 2024

Aims. We present an analysis of the first connection mosaic made by the SPICE instrument on board the ESA/NASA Solar Orbiter mission on March 2, 2022. The data will be used to map coronal composition that will be compared with in-situ measurements taken by SWA/HIS to establish the coronal origin of the solar wind plasma observed at Solar Orbiter. The SPICE spectral lines were chosen to have varying sensitivity to the first ionization potential (FIP) effect, and therefore the radiances of the spectral lines will vary significantly depending on whether the elemental composition is coronal or photospheric. We investigate the link between the behavior of sulfur and the hypothesis that Alfvén waves drive FIP fractionation above the chromosphere.

Methods. We performed temperature diagnostics using line ratios and emission measure (EM) loci, and computed relative FIP biases using three different approaches (two-line ratio (2LR), ratios of linear combinations of spectral lines (LCR), and differential emission measure (DEM) inversion) in order to perform composition diagnostics in the corona. We then compared the SPICE composition analysis and EUI data of the potential solar wind source regions to the SWA/HIS data products.

Results. Radiance maps were extracted from SPICE spectral data cubes, with values matching previous observations. We find isothermal plasma of around log T = 5.8 for the AR loops targeted, and that higher FIP-bias values are present at the footpoints of the coronal loops associated with two ARs. Comparing the results with the SWA/HIS data products encourages us to think that Solar Orbiter was connected to a source of slow solar wind during this observation campaign. We demonstrate FIP fractionation in observations of the upper chromosphere and transition region, emphasized by the behavior of the intermediate-FIP element sulfur.
TOI-1135 b: A young hot Saturn-size planet orbiting a solar-type star
Authors: Mallorquín M. , Lodieu N. , Béjar V. J. S. , Zapatero Osorio M. R. , Sanz-Forcada J. , Alarcon M. R. , Tabernero H. M. , Nagel E. , Collins K. A. , Ciardi D. R. , Serra-Ricart M. , Orell-Miquel J. , Barkaoui K. , Burdanov A. , de Wit J. , Everett M. E. , Gillon M. , Jensen E. L. N. , Murphy L. G. , Reed P. A. , Safonov B. , Strakhov I. A. , Ziegler C.
Published: February 2024

Despite the thousands of planets in orbit around stars known to date, the mechanisms of planetary formation, migration, and atmospheric loss remain unresolved. In this work, we confirm the planetary nature of a young Saturn-size planet transiting a solar-type star every 8.03 d, TOI-1135 b. The age of the parent star is estimated to be in the interval of 125-1000 Myr based on various activity and age indicators, including its stellar rotation period of 5.13 ± 0.27 days and the intensity of photospheric lithium. We obtained follow-up photometry and spectroscopy, including precise radial velocity measurements using the CARMENES spectrograph, which together with the TESS data allowed us to fully characterise the parent star and its planet. As expected for its youth, the star is rather active and shows strong photometric and spectroscopic variability correlating with its rotation period. We modelled the stellar variability using Gaussian process regression. We measured the planetary radius at 9.02 ± 0.23 R⊕ (0.81 ± 0.02 RJup) and determined a 3σ upper limit of < 51.4 M⊕ (< 0.16 MJup) on the planetary mass by adopting a circular orbit. Our results indicate that TOI-1135 b is an inflated planet less massive than Saturn or Jupiter but with a similar radius, which could be in the process of losing its atmosphere by photoevaporation. This new young planet occupies a region of the mass-radius diagram where older planets are scarse, and it could be very helpful to understanding the lower frequency of planets with sizes between Neptune and Saturn.
Impact de la vaccination sur l’évolution de Bordetella pertussis
Authors: Lecorvaisier Florian
Published: February 2024

Les vaccins contre la coqueluche sont commercialisés et utilisés dans la plupart des pays du monde depuis déjà plusieurs décennies. L’histoire des vaccins anticoquelucheux est particulière, les traditionnels vaccins cellulaires ayant été remplacés par des vaccins acellulaires dans de nombreux pays développés au cours des deux décennies passées. Selon leur composition, ces vaccins ont un effet important sur l’évolution de l’agent étiologique de la coqueluche, la bactérie Bordetella pertussis. Cette évolution se traduit par des changements génétiques et phénotypiques chez la bactérie, et a eu comme conséquences la résurgence de la coqueluche dans de nombreux pays ainsi que l’apparition de nouvelles souches échappant aux vaccins. L’émergence de nouvelles souches par pression vaccinale illustre ainsi l’importance de la prise en compte de la biologie de l’évolution de la bactérie dans l’élaboration de nouveaux vaccins.
Optimal strategies for supply chain with credit guarantee using CVaR
Authors: Zhang Maojun , Shen Lu , Nan Jiangxia , Wang Jizhou , Xia Zhonghang , Zhao Yang
Published: February 2024

In this paper, we explore optimal strategies of a supply chain consisting of one manufacturer, one capital-constrained retailer and one bank, where the bank provides loans to the retailer due to credit guarantees. However, there are default risks if the retailer can not repay the loans. Using conditional value-at-risk (CVaR) to describe risk aversion of the retailer, optimal order quantities of the retailer and optimal wholesale prices of the manufacturer are obtained by solving a Stackelberg game model, where the manufacturer is a leader and the retailer is a follower, respectively. Our numerical results show that the default probability of the retailer are proportional to optimal wholesale prices of the manufacturer. It implies that when the default probability of the retailer is high, the manufacturer should reduce the default risk by setting higher wholesale prices to avoid a burden of a substantial guarantee. Thus, our results can serve as insights for decision-makers of supply chain management.
Risk of Bleeding and Venous Thromboembolism after Colorectal Cancer Surgery in Patients with and without Type 2 Diabetes: A Danish Cohort Study
Authors: Kristensen Frederik Pagh Bredahl , Horváth-Puhó Erzsébet , Szépligeti Szimonetta Komjáthiné , Troelsen Frederikke Schoenfeldt , Sørensen Henrik Toft
Published: February 2024

Background Bleeding and venous thromboembolism (VTE) are adverse outcomes after colorectal cancer (CRC) surgery. Type 2 diabetes (T2D) clusters with bleeding and VTE risk factors. We examined the bleeding and VTE risk in patients with T2D undergoing CRC surgery and the prognosis after these adverse outcomes.

Methods We conducted a prognostic population-based cohort study of 48,295 patients with and without T2D undergoing surgery for incident CRC during 2005 to 2019. Patients with T2D were diagnosed in a hospital setting or had redeemed a glucose-lowering drug prescription; the remaining cohort was patients without diabetes. We estimated the 30-day and 1-year risks of bleeding and VTE and used a Fine–Gray model to compute age-, sex-, and calendar year-adjusted subdistribution hazard ratios (SHRs). The Kaplan–Meier method was used to calculate 1-year mortality after bleeding or VTE.

Results Within 30 days after CRC surgery, the risk of bleeding was 2.7% in patients with T2D and 2.0% in patients without diabetes (SHR: 1.30 [95% confidence interval [CI]: 1.10–1.53]). For VTE, the 30-day risks were 0.6% for patients with T2D and 0.6% for patients without diabetes (SHR: 1.01 [95% CI: 0.71–1.42]). The SHRs for bleeding and VTE within 1 year after CRC surgery were similar. The 1-year mortality was 26.0% versus 24.9% in the bleeding cohort and 25.8% versus 27.5% in the VTE cohort for patients with T2D versus without diabetes, respectively.

Conclusion Although absolute risks were low, patients with T2D have an increased risk of bleeding but not VTE after CRC surgery.
Relationship between Shape Retention and X-ray Absorption Value of the Tip of Microcatheters in Neuroendovascular Treatment
Authors: Ohshima Tomotaka , Ato Fuminori , Kawaguchi Reo , Matsuo Naoki , Miyachi Shigeru
Published: February 2024

Objective We noticed that the X-ray absorption value of the tip of each microcatheter used for aneurysm treatment varied from product to product. We hypothesized that the differences were caused by variations in the metal's density braid, which could be related to the ability of the tip to retain its shape.

Methods The X-ray absorption value of each microcatheter tip was measured. Next, heat forming was performed using a shaping mandrel at 6 mm and 90 degrees to determine whether there was a correlation between the X-ray absorption value and the forming angle. Next, the optimal mandrel angle for forming each microcatheter at 90 degrees was investigated. We also examined the shape retention after 20 times wire insertions into each microcatheter.

Conclusion It was found that the higher the X-ray absorption value, the harder it was for the microcatheter to be formed. The mandrel angle required to form 90 degrees was determined by the X-ray absorption value. The higher the X-ray absorption value, the higher the shape retention of the tip shape. The heat formation and shape-retention conditions of the microcatheter tip were correlated with the X-ray absorption value of the metal braid. Even for unknown microcatheters, the optimum shaping conditions can be inferred from the X-ray absorption value.
Voices unheard: How feelings of inefficacy fuel populism
Authors: Şimşek Caner
Published: February 2024

How do populist voters differ from other voters and among themselves? I argue that the commonality of populist voters is a perceived sense of political inefficacy. The feelings of inefficacy interact with grievances, which determine the party choice. Using the European Social Survey data, I show that when grievances are cultural, voters are more likely to vote for a right-wing populist party. In the same manner, economic grievances make left-wing populist voting more likely. Furthermore, I show that negative effect of political efficacy on populist voting declines as grievances become more severe. Thus, while grievances determine the type of populism, political efficacy determines the vote choice between populist parties and their alternatives.
Numerical simulation of water and sediment flow characteristics in tunnels based on Euler–Euler three-phase flow
Authors: Wu Yufang , Ou Xiaoduo , Wu Bo , Jiang Jie , Gong Jian
Published: February 2024

Knowledge of water and sediment flow characteristics in tunnels is essential for structural safety and post-disaster rescue operations. In this research, we developed a numerical model based on the Euler–Euler approach to simulate the three-phase flow of air, water, and sediment, aiming to predict the spatiotemporal flow characteristics in tunnels following the inrush. The model assumes that air, water, and sediment constitute a continuous medium through each other. The interaction drag between phases was taken into account. A standard k-ε turbulence model was used to simulate the irregular fluid flow. The spatiotemporal fluid behavior within the tunnel was investigated by analyzing the volume fraction, fluid velocity, and fluid pressure. In addition, the effects of the support condition, the machinery obstruction, and the curve radius on the three-phase flow characteristics were discussed. Numerical simulation results indicate that in the spatial dimension, the volume fractions, velocity, and pressure all display gradient distribution; in the temporal dimension, these three parameters all show phased features. Moreover, fluid behavior is greatly influenced by the support condition, the machinery obstruction, and the curve radius. The results establish a fundamental basis for additional investigations concerning spatiotemporal characteristics prediction of water and sediment inrush.
Specialized design for three basic mask patterns counteract charging effects during plasma etching
Authors: Zhang Peng
Published: February 2024

In the plasma etching technique, effectively suppressing charging effects is crucial for achieving a high-quality transfer of the mask pattern onto the substrate. For instance, mask patterns that combine complex shapes frequently exhibit a noticeable “corner effect,” characterized by significant variations in physical quantities at locations where curvature changes rapidly. This study investigates the feasibility of utilizing specialized designs for mask holes with three basic-shaped openings to counteract charging effects. The research focuses on isolated and deformed triangular, square, and hexagonal mask holes as well as two types of mask arrays (quadrangle and hexagonal arrays). A classical particle simulation program was employed to analyze the evolution of electric field (E-field) distribution and simulated opening during etching time. The results indicate that ions preferentially bombard the sides rather than the vertexes, resulting in flattening of deformed sides. As expected, approximately triangular, square, and hexagonal etched openings can be achieved. Unlike an isolated mask hole, the design for a hole in a specific array is constrained by the pattern of the array. Simulated evolutions demonstrate that specialized designs based on specific arrays can assist in obtaining nearly perfect etched openings. Possible underlying mechanisms have been extensively discussed in this study. These findings offer potential insights into specialized designs for basic mask patterns to counteract charging effects, thereby contributing toward maintaining pattern integrity.
Protocol for Structure Determination of Unknowns by EI Mass Spectrometry. III. Diagnostic Ions in Multiple Ring Carbo- and Heterocycles, and Mono-Functional Derivatives
Authors: Mikaia Anzor
Published: February 2024

Electron ionization (EI) mass spectra of bi- and poly-ring carbo- and heterocycles including saturated and unsaturated spiranes, condensed ring and bridged ring systems are examined. Three, four, five, six-membered and larger rings are considered. The rings may include oxygen, sulfur, nitrogen, selenium or phosphorus atom or multiple hetero atoms. Characteristic fragmentation modes and diagnostically important ions generated by these compounds under EI are established. Detailed analysis of mass spectra of halides, alcohols and mercaptans, ethers and thioethers, aldehydes, ketones and thiones, carboxylic and thiocarboxylic acids, amines, amides and thioamides, nitro compounds, nitrites and nitrates of mono- and poly-ring carbo- and heterocyclic systems is performed. Basic fragmentation rules typical for a specific ring and general dissociation modes governed by a particular functional group are determined. The potential and its limitations of EI mass spectrometry in structure determination of unknowns are emphasized.
An information fractal dimensional relative entropy
Authors: Wu Jingyou
Published: February 2024

Shannon entropy is used to measure information uncertainty, while the information dimension is used to measure information complexity. Given two probability distributions, the difference can be measured by relative entropy. However, the existing relative entropy does not consider the effect of information dimension. To improve the existing entropy, a new relative entropy is presented in this paper. The information fractal dimension is considered in the proposed relative entropy. The new relative entropy is more generalized than the initial relative entropy. When dimension is not considered, it will degenerate to the initial relative entropy. Another interesting point is that the new relative entropy may have negative values when calculating. The physical meaning is still under exploration. Finally, some application examples are provided to exemplify the utilization of the proposed relative entropy.
Rapid validation of water wave metamaterials in a desktop-scale wave measurement system
Authors: Huang Yi , Dai Saishuai , Yuan Zhi-Ming , Jia Laibing
Published: February 2024

Metamaterials have a unique ability to manipulate wave phenomena beyond their natural capabilities, and they have shown great promise in electromagnetic and acoustic wave control. However, their exploration in hydrodynamics remains limited. This article introduces a novel desktop-scale wave measurement system, specifically designed for the rapid prototyping and validation of water wave metamaterials. By utilizing 3D printing, the system accelerates the transition from theoretical designs to practical testing, offering a versatile and user-friendly platform. This is further enhanced by a synchronized stereo-camera setup and advanced data processing algorithms, enabling precise measurement and reconstruction of water wave behavior. Our experimental results demonstrate the system’s effectiveness in capturing intricate interactions between engineered structures and water waves. This significantly advances rapid prototyping for water wave metamaterial research, underscoring the system’s potential to catalyze further innovation in this emerging field.
Impact of flow-induced beam deflection on beam propagation in ignition scale hohlraums
Authors: Farmer W. A. , Ruyer C. , Harte J. A. , Hinkel D. E. , Bailey D. S. , Kur E. , Landen O. L. , Lemos N. , Michel P. A. , Moody J. D. , Strozzi D. J. , Weber C. R. , Zimmerman G. B.
Published: February 2024

Experiments examining the amount of specular reflection (or “glint”) within hohlraums containing different gas fill densities have recently been performed. Simulations of these experiments are presented that show using a single flux limiter cannot explain the decrease in glinted power with increasing gas fill density. The hypothesis that flow-induced beam deflection alters laser absorption is presented. A model is proposed that can be implemented into a ray tracing description of the laser commonly used in radiation hydrodynamic codes. It is shown that simulations using this model capture the trend with gas fill density improving agreement with measurements. This formulation is then applied to an ensemble of laser-driven inertial confinement fusion experiments performed at the National Ignition Facility. The proposed model shows little impact on the total x-ray drive on the capsule but a large impact on the resulting implosion symmetry.
On the subject of large-scale pool fires and turbulent boundary layer interactions
Authors: Domino Stefan P.
Published: February 2024

The role to which a realistic inflow turbulent boundary layer (TBL) influences transient and mean large-scale pool fire quantities of interest (QoIs) is numerically investigated. High-fidelity, low-Mach large-eddy simulations that activate low-dissipation, unstructured numerics are conducted using an unsteady flamelet combustion modeling approach with mutiphysics coupling to soot and participating media radiation transport. Three inlet profile configurations are exercised for a large-scale, high-aspect rectangular pool that is oriented perpendicular to the flow direction: a time-varying, TBL inflow profile obtained from a periodic precursor simulation, the time-mean of the transient TBL, and a steady power-law inflow profile that replicates the mean TBL crosswind velocity of 10.0 m/s at a vertical height of 10 m. Results include both qualitative transient flame evolution and quantitative flame shape with ground-level temperature and convective/radiative heat flux profiles. While transient fire events, which are driven by burst-sweep TBL coupling, such as blow-off and reattachment are vastly different in the TBL case (contributing to increased root mean square QoI fluctuation prediction and disparate flame lengths), mean surface QoI magnitudes are similar. Quadrant analysis demonstrates that the TBL configuration modifies burst-sweep phenomena at windward pool locations, while leeward recovery is found. Positive fluctuations of convective heat flux correlate with fast moving fluid away from the pool surface due to intermittent combustion events.
The case for considering the term ‘mitochondrial vesicle’ as a misnomer in publications about assisted reproductive technologies (ART) for amphibians
Authors: Browne Robert K. , Venu Govindappa , Kaurova Svetlana A.
Published: February 2024

The term ‘mitochondrial vesicle’ was first used in 2003 in a description of anuran sperm and persists to this day throughout the literature on assisted reproductive technologies (ART) for amphibians. In the present paper, we argue that the term is inappropriate because the widely accepted definition of a ‘vesicle’ refers to an integral structure with an enclosing lipid bilayer/membrane. Moreover, there are no electron micrographs that show a vesicular structure encapsulating mitochondria on amphibian sperm heads in the literature. In fact, in 1993, the mitochondria in the anuran sperm head had been described as positioned in ‘mitochondrial collars’ or ‘mitochondrial sheaths’ surrounded by the plasma membrane of the sperm head. On the other hand, mitochondrial-derived vesicles are defined as vesicles shed from mitochondria surfaces, potentially creating confusion. Therefore, our view is that the term ‘mitochondrial vesicle’ should be avoided in describing the positioning of mitochondria on sperm.
Long-term neuropeptide modulation of female sexual drive via the TRP channel in
Drosophila melanogaster
Authors: Kim Do-Hyoung , Jang Yong-Hoon , Yun Minsik , Lee Kang-Min , Kim Young-Joon
Published: February 2024

Connectomics research has made it more feasible to explore how neural circuits can generate multiple outputs. Female sexual drive provides a good model for understanding reversible, long-term functional changes in motivational circuits. After emerging, female flies avoid male courtship, but they become sexually receptive over 2 d. Mating causes females to reject further mating for several days. Here, we report that pC1 neurons, which process male courtship and regulate copulation behavior, exhibit increased CREB (cAMP response element binding protein) activity during sexual maturation and decreased CREB activity after mating. This increased CREB activity requires the neuropeptide Dh44 (Diuretic hormone 44) and its receptors. A subset of the pC1 neurons secretes Dh44, which stimulates CREB activity and increases expression of the TRP channel Pyrexia (Pyx) in more pC1 neurons. This, in turn, increases pC1 excitability and sexual drive. Mating suppresses
pyx
expression and pC1 excitability. Dh44 is orthologous to the conserved corticotrophin-releasing hormone family, suggesting similar roles in other species.
Data-driven classification of ligand unbinding pathways
Authors: Ray Dhiman , Parrinello Michele
Published: February 2024

Studying the pathways of ligand–receptor binding is essential to understand the mechanism of target recognition by small molecules. The binding free energy and kinetics of protein–ligand complexes can be computed using molecular dynamics (MD) simulations, often in quantitative agreement with experiments. However, only a qualitative picture of the ligand binding/unbinding paths can be obtained through a conventional analysis of the MD trajectories. Besides, the higher degree of manual effort involved in analyzing pathways limits its applicability in large-scale drug discovery. Here, we address this limitation by introducing an automated approach for analyzing molecular transition paths with a particular focus on protein–ligand dissociation. Our method is based on the dynamic time-warping algorithm, originally designed for speech recognition. We accurately classified molecular trajectories using a very generic descriptor set of contacts or distances. Our approach outperforms manual classification by distinguishing between parallel dissociation channels, within the pathways identified by visual inspection. Most notably, we could compute exit-path-specific ligand-dissociation kinetics. The unbinding timescale along the fastest path agrees with the experimental residence time, providing a physical interpretation to our entirely data-driven protocol. In combination with appropriate enhanced sampling algorithms, this technique can be used for the initial exploration of ligand-dissociation pathways as well as for calculating path-specific thermodynamic and kinetic properties.
Saccharomycotina yeasts defy long-standing macroecological patterns
Authors: David Kyle T. , Harrison Marie-Claire , Opulente Dana A. , LaBella Abigail L. , Wolters John F. , Zhou Xiaofan , Shen Xing-Xing , Groenewald Marizeth , Pennell Matt , Hittinger Chris Todd , Rokas Antonis
Published: February 2024

The Saccharomycotina yeasts (“yeasts” hereafter) are a fungal clade of scientific, economic, and medical significance. Yeasts are highly ecologically diverse, found across a broad range of environments in every biome and continent on earth; however, little is known about what rules govern the macroecology of yeast species and their range limits in the wild. Here, we trained machine learning models on 12,816 terrestrial occurrence records and 96 environmental variables to infer global distribution maps at ~1 km
2
resolution for 186 yeast species (~15% of described species from 75% of orders) and to test environmental drivers of yeast biogeography and macroecology. We found that predicted yeast diversity hotspots occur in mixed montane forests in temperate climates. Diversity in vegetation type and topography were some of the greatest predictors of yeast species richness, suggesting that microhabitats and environmental clines are key to yeast diversity. We further found that range limits in yeasts are significantly influenced by carbon niche breadth and range overlap with other yeast species, with carbon specialists and species in high-diversity environments exhibiting reduced geographic ranges. Finally, yeasts contravene many long-standing macroecological principles, including the latitudinal diversity gradient, temperature-dependent species richness, and a positive relationship between latitude and range size (Rapoport’s rule). These results unveil how the environment governs the global diversity and distribution of species in the yeast subphylum. These high-resolution models of yeast species distributions will facilitate the prediction of economically relevant and emerging pathogenic species under current and future climate scenarios.
The role of agency in language socialization
Authors: Okuno Yukiko
Published: February 2024

Drawing on longitudinal data from the perspective of Complex Dynamic Systems Theory, I portray how L2 language
socialization is promoted by an L2 user’s agency borne out of his Ideal L2 self. This paper first showcases a decade-long
longitudinal OPI (Oral Proficiency Interview) data set elicited from an L2 Japanese user who speaks Korean as his L1, focusing on
the process of affective adverb acquisition observed through transformations in his speech style. Then, employing the Trajectory
Equifinality Approach (TEA), I examine holistically how changes in the use of affective adverbs reflects the L2 user’s language
socialization by visualizing his language environment and language awareness chronically, including his own reflections through
retrospective interviews.
Absorption-transmission-diffusion-type radar cross section reduction metasurfaces based on frequency selective absorber and polarization conversion chessboard structure
Authors: Li Jianxiao , Tian Jiawei , Qiu Riquan , Yao Xin , Liu Qian , Chen Haiyan , Han Tiancheng , Yin Liangjun , Liang Difei , Xie Jianliang
Published: February 2024

Absorption-transmission-diffusion-type radar cross section (RCS) reduction metasurfaces based on the frequency selective absorber and the polarization conversion chessboard structure are proposed in this paper. The RCS reduction metasurfaces consist of three parts, i.e. the top layer realized by a cross-shaped meander line loaded with lumped resistors for low-frequency absorption and high-frequency transmission, the mid-layer constructed by angular ring vias frequency selective surface (FSS) sandwiched with two square patches FSS for broadband transmission in mid-frequency zone, and the bottom layer employed chessboard metasurfaces composed of dual-arrow type polarization conversion units for scattering cancellation in high frequency zone. The physical mechanisms of the RCS reduction metasurfaces with multifunctional electromagnetic controlling including wave absorption, bandpass transmission, polarization reversal, and phase cancellation are also discussed and analyzed. Simulation and experimental results demonstrate a reflection of lower than −10 dB for normal incident linearly polarized waves over a frequency range of 2.5 GHz–18 GHz, with a relative bandwidth of 151.22%; transmission passband properties with insertion loss better to −3 dB in the frequency range of 5.62 GHz–11.0 GHz, with a relative bandwidth of 64.74%. Due to the resonance-coupling-resonance principle, the broadband transmission with low insertion loss was obtained. The RCS properties of the proposed multi-functional metasurfaces were further analyzed by numerical simulation and experimental measurement, and the results showed that RCS reduction of over 10 dB was achieved for normal incident different polarized waves at the frequency range of 2.5 GHz to 17 GHz. Even in the case of normal incidence, there was a deviation between the reflection characteristics and RCS reduction. The RCS reduction metasurfaces are expected to be employed in applications where multi mechanism collaborative control of electromagnetic waves is of extreme importance.
A decoupling calculation method of separating temperature component from the nano-scale metal film thickness measurement output by the eddy current sensor
Authors: Wang Jinlong , Li Hongkai , Zhang Tong , Li Zihan
Published: February 2024

The eddy current method has been widely applied in the field of nano-scale metal film thickness detection. The output signal of an eddy current sensor is generally tiny in practice, and it is easily affected by the ambient temperature variation, which results in a decrease in the measurement accuracy. How to separate the temperature effect on film thickness measurement for achieving a high precision is a major problem. Therefore, a coupling model of an eddy current sensor with an electromagnetic field and a temperature field is established in this study, and the influence of the film thickness and temperature on coil impedance is calculated. It is found that the inductance and resistance of the coil vary monotonically as thickness and temperature with a measure of linearity in a certain range, as well as the real part and imaginary part of the output voltage by using an AC bridge. Then a film thickness-temperature decoupling calculation method is proposed, and a group of linear calibration intervals are further divided considering the linearity and measurement accuracy. According to the calculation results, it is confirmed that the method can decouple the two, and accomplish a higher accuracy. In addition, the method is verified by a series of experiments, and the variation trend of real and imaginary parts of output voltage with thickness and temperature is consistent with simulation results. At the same time, it is feasible to realize a synchronous detection of metal film thickness and ambient temperature in a certain range.
Moment tensor potential for static and dynamic investigations of screw dislocations in bcc Nb
Authors: Zotov Nikolay , Gubaev Konstantin , Wörner Julian , Grabowski Blazej
Published: February 2024

A new machine-learning interatomic potential, specifically a moment tensor potential (MTP), is developed for the study of screw-dislocation properties in body-centered-cubic (bcc) Nb in the thermally- and stress-assisted temperature regime. Importantly, configurations with straight screw dislocations and with kink pairs are included in the training set. The resulting MTP reproduces with near density-functional theory (DFT) accuracy a broad range of physical properties of bcc Nb, in particular, the Peierls barrier and the compact screw-dislocation core structure. Moreover, it accurately reproduces the energy of the easy core and the twinning-anti-twinning asymmetry of the critical resolved shear stress (CRSS). Thereby, the developed MTP enables large-scale molecular dynamics simulations with near DFT accuracy of properties such as for example the Peierls stress, the critical waiting time for the onset of screw dislocation movement, atomic trajectories of screw dislocation migration, as well as the temperature dependence of the CRSS. A critical assessment of previous results obtained with classical embedded atom method potentials thus becomes possible.
On uniqueness properties of solutions of the generalized fourth-order Schrödinger equations
Authors: Lee Zachary , Yu Xueying
Published: February 2024

In this paper, we study uniqueness properties of solutions to the generalized fourth-order Schrödinger equations in any dimension d of the following forms,

i

∂
t

u
+

∑

j
=
1

d

∂

x
j

4

u
=
V

t
,
x

u
,
and
i

∂
t

u
+

∑

j
=
1

d

∂

x
j

4

u
+
F

u
,

u
‾

=
0.

We show that a linear solution u with fast enough decay in certain Sobolev spaces at two different times has to be trivial. Consequently, if the difference between two nonlinear solutions u
1 and u
2 decays sufficiently fast at two different times, it implies that

u
1

≡

u
2

.
Embedding machine learning based toxicity models within radiotherapy treatment plan optimization
Authors: Maragno Donato , Buti Gregory , Birbil Ş. İlker , Liao Zhongxing , Bortfeld Thomas , den Hertog Dick , Ajdari Ali
Published: February 2024

Objective. This study addresses radiation-induced toxicity (RIT) challenges in radiotherapy (RT) by developing a personalized treatment planning framework. It leverages patient-specific data and dosimetric information to create an optimization model that limits adverse side effects using constraints learned from historical data. Approach. The study uses the optimization with constraint learning (OCL) framework, incorporating patient-specific factors into the optimization process. It consists of three steps: optimizing the baseline treatment plan using population-wide dosimetric constraints; training a machine learning (ML) model to estimate the patient’s RIT for the baseline plan; and adapting the treatment plan to minimize RIT using ML-learned patient-specific constraints. Various predictive models, including classification trees, ensembles of trees, and neural networks, are applied to predict the probability of grade 2+ radiation pneumonitis (RP2+) for non-small cell lung (NSCLC) cancer patients three months post-RT. The methodology is assessed with four high RP2+ risk NSCLC patients, with the goal of optimizing the dose distribution to constrain the RP2+ outcome below a pre-specified threshold. Conventional and OCL-enhanced plans are compared based on dosimetric parameters and predicted RP2+ risk. Sensitivity analysis on risk thresholds and data uncertainty is performed using a toy NSCLC case. Main results. Experiments show the methodology’s capacity to directly incorporate all predictive models into RT treatment planning. In the four patients studied, mean lung dose and V20 were reduced by an average of 1.78 Gy and 3.66%, resulting in an average RP2+ risk reduction from 95% to 42%. Notably, this reduction maintains tumor coverage, although in two cases, sparing the lung slightly increased spinal cord max-dose (0.23 and 0.79 Gy). Significance. By integrating patient-specific information into learned constraints, the study significantly reduces adverse side effects like RP2+ without compromising target coverage. This unified framework bridges the gap between predicting toxicities and optimizing treatment plans in personalized RT decision-making.
A neoclassical validation of balanced and unbalanced rotations on EAST H-mode discharges
Authors: Bae Cheonho , Jin Yifei , Lyu Bo , Hao Baolong , Li Yingying , Zhang Xinjun , Liu Haiqing , Zhang Hongming , Wang Fudi , Fu Jia , Fu Jing , Huang Juan , Zeng Long , Zang Qing , Li Yichao , He Liang , Lu Dian
Published: February 2024

Predicting residual stress (RS) contribution to intrinsic rotation is one of the major challenges in the study of momentum transport in tokamaks. One efficient experimental means of quantifying RS torque magnitude is to generate radially-flat and near-zero rotation profiles, termed ‘balanced rotations’ in this work, using counter-Ip
Neutral Beam Injections (NBIs) to effectively cancel the torques from co-Ip
NBIs. One remaining question, however, is on whether or not the attained velocity profile is well zeroed and flat enough so that the predicted RS torques based on perfect balance assumption can be used for further studies such as fitting of diffusive and convective coefficients to match with experiments. This article presents a neoclassical means of validating the attained balanced and unbalanced rotations at EAST to consequently validate the predicted RS torque profiles, using TRANSP/NUBEAM and a recently-developed neoclassical rotation/transport code TransROTA (Bae et al 2024 Comput. Phys. Commun.
296 108992). Both balanced and unbalanced EAST H-mode discharges are analyzed to find that the suggested neoclassical validation methodology successfully validates attained balanced rotations. It also finds that neoclassical gyroviscous (NGV) torque serves as the balance-breaking mechanism for axisymmetric plasmas and the balance-breakings start from the core and propagate towards the edge. This work also suggests the possibility of using the neoclassical methodology to find locally-balanced rotations at an elevated velocity range near ∼20 km s−1, which implies possible scaling of RS torques up to a certain elevated velocity range.