bluuebunny/crossref_metadata_2025 huggingface dataset:
Suicide Risk Screening for Head and Neck Cancer Patients: An Implementation Study
Authors: Kansara Bhargav , Basta Ameer , Mikhael Marian , Perkins Randa , Reisman Phillip , Hallanger-Johnson Julie , Rollison Dana E. , Nguyen Oliver T. , Powell Sean , Gilbert Scott M. , Turner Kea
Published: May 2024

Objectives There is limited research on suicide risk screening (SRS) among head and neck cancer (HNC) patients, a population at increased risk for suicide. To address this gap, this single-site mixed methods study assessed oncology professionals' perspectives about the feasibility, acceptability, and appropriateness of an electronic SRS program that was implemented as a part of routine care for HNC patients.

Methods Staff who assisted with SRS implementation completed (e.g., nurses, medical assistants, advanced practice providers, physicians, social workers) a one-time survey (N = 29) and interview (N = 25). Quantitative outcomes were assessed using previously validated feasibility, acceptability, and appropriateness measures. Additional qualitative data were collected to provide context for interpreting the scores.

Results Nurses and medical assistants, who were directly responsible for implementing SRS, reported low feasibility, acceptability, and appropriateness, compared with other team members (e.g., physicians, social workers, advanced practice providers). Team members identified potential improvements needed to optimize SRS, such as hiring additional staff, improving staff training, providing different modalities for screening completion among individuals with disabilities, and revising the patient-reported outcomes to improve suicide risk prediction.

Conclusion Staff perspectives about implementing SRS as a part of routine cancer care for HNC patients varied widely. Before screening can be implemented on a larger scale for HNC and other cancer patients, additional implementation strategies may be needed that optimize workflow and reduce staff burden, such as staff training, multiple modalities for completion, and refined tools for identifying which patients are at greatest risk for suicide.
Surface properties of non-passivated nickel-based alloys in H2O-bearing environments by theoretical calculations: Atomic modification effects from alloying additions
Authors: Yin Ya-Ru , Wang Han , Yang Yu-Qi , Hai Xue , Li Zhen-Hui , Ren Cui-Lan , Huai Ping
Published: May 2024

The surface properties of nickel-based alloys with different alloying compositions against aggressively corrosive species were systematically evaluated by using the segregated and non-segregated models designed through first-principles calculations. The presence of typical VIB alloying elements such as chromium (Cr), molybdenum (Mo), and tungsten (W) elements near the nickel surface was identified to significantly enhance the surface adsorption of water molecules (H2O) and their decomposed products (OH, O, and H). The doping patterns and surface electronic structures were found to determine the adsorption diversity of these substances. Consequently, adsorbates containing oxygen were likely to induce the segregation tendencies of these selected alloying elements from the deep area of nickel toward the top-most surface layer (TSL). The electrode potential shifts of the surface Ni atom in the designed alloying systems, compared to the bare Ni (111) surface, were further calculated to identify the beneficial electrochemical performance of alloy surfaces in the absence/presence of various adsorbates. In vacuum, the locations of these alloying elements in the near-surface layers would more increase the electrode potential shifts, thereby delaying the dissolution of Ni atoms from metal substrates. Nevertheless, the presence of adsorbates led to notably negative electrode potential shifts for the Ni (111) surface, among which the decomposed products (hydroxyl and oxygen) were of the most passive effects on corrosion behavior of nickel. The detrimental effects of these adsorbates on surface stability would be effectively alleviated with the aid of atomic VIB alloying elements of nickel-based alloys, especially W segregation to the TSL regardless of the pH in aqueous environments.
QED corrections to the correlated relativistic energy: One-photon processes
Authors: Margócsy Ádám , Mátyus Edit
Published: May 2024

This work is a collection of initial calculations and formal considerations within the Salpeter–Sucher exact equal-time relativistic quantum electrodynamics framework. The calculations are carried out as preparation for the computation of pair, retardation, and radiative corrections to the relativistic energy of correlated two-spin-1/2-fermion systems. In this work, particular attention is paid to the retardation and the “one-loop” self-energy corrections, which are known to be among the largest corrections to the correlated relativistic energy. The theoretical development is supplemented with identifying formal connections to the non-relativistic quantum electrodynamics framework, which is based on a correlated but non-relativistic reference, as well as to the “1/Z approach,” which is built on a relativistic but independent-particle zeroth order. The two complementary directions currently provide the theoretical framework for light atomic–molecular precision spectroscopy and heavy-atom phenomena. The present theoretical efforts pave the way for relativistic QED corrections to (explicitly) correlated relativistic computations.
Emerging MEMS sensors for ocean physics: Principles, materials, and applications
Authors: Yang Yang , Dai Zhuhang , Chen Yi , Yuan Yapeng , Yalikun Yaxiaer , Shang Chenjing
Published: May 2024

The use of ocean sensors is crucial for exploration of the ocean and harnessing the potential of its resources. However, conventional ocean sensors are limited by their fabrication techniques, which result in sensors that are large in size, have high-power consumption requirements, and involve complex deployment processes. However, fulfilling observation requirements in the harsh marine environment presents a formidable challenge for these devices. Microelectromechanical system (MEMS) technologies offer a promising solution that will enable development of a new generation of ocean sensors that offer superior performance. This paper focuses on MEMS-based ocean sensors that have been designed to measure both essential physical parameters and fundamental processes within the marine environment, including the ocean's conductivity, temperature, and depth, ocean currents, ocean turbulence, earthquakes, seafloor deformation, and ocean acoustic signals. The fundamental designs of these sensors, including their working principles, structures, properties, and fabrication procedures, are illustrated in the individual sections. The paper also discusses the important challenges that MEMS ocean sensors may encounter, along with their prospects for future development. By highlighting the potential of MEMS-based ocean sensors, this review aims to contribute to the development of more efficient and reliable ocean observation systems.
Electrical control of noncollinear magnetism in VAl2S4 van der Waals structures
Authors: Yu Shiqiang , Xu Yushuo , Dai Ying , Sun Dongyue , Huang Baibiao , Wei Wei
Published: May 2024

We present a strategy for realizing the nonvolatile electrical control of noncollinear magnetism based on first-principles calculations. We confirm that the VAl2S4 monolayer, a rare two-dimensional type-II multiferroic material, shows an in-plane noncollinear 120°-ordered antiferromagnetic ground state and spin spiral order induced out-of-plane ferroelectricity. In VAl2S4 bilayers, we clarify the spin spiral chirality–sliding ferroelectricity locking effect, which enables flexible electrical switching of noncollinear magnetism and corresponding spin spiral chirality through interlayer sliding. Our work provides another perspective for the development of magnetoelectric physics and information storage devices.
Performance of range-separated long-range SOPPA short-range density functional theory method for vertical excitation energies
Authors: Fuglsbjerg Juliane H. , Nagy Dániel , Jensen Hans Jørgen Aa. , Sauer Stephan P. A.
Published: May 2024

In this paper, benchmark results are presented on the calculation of vertical electronic excitation energies using a long-range second-order polarization propagator approximation (SOPPA) description with a short-range density functional theory description based on the Perdew–Burke–Ernzerhof (PBE) functional. The excitation energies are investigated for 132 singlet states and 71 triplet states across 28 medium-sized organic molecules. The results show that overall SOPPA-srPBE always performs better than PBE and that SOPPA-srPBE performs better than SOPPA for singlet states, but slightly worse than SOPPA for triplet states when CC3 results are the reference values.
Control of half-skyrmion movement for possible applications in memory, logic, and neuromorphic computing prototype devices
Authors: Zhu Zhaozhao , Xu Tiankuo , Gao Yang , Li Zhuolin , He Zhidong , Wang Zhan , Zhao Tongyun , Wang Shouguo , Cai Jian-Wang , Zhang Ying , Shen Baogen
Published: May 2024

The topological (anti)skyrmion configurations have presented promise for versatile spintronic applications in racetrack memory, logic gates, and bio-inspired computing due to the nontrivial spin topology and convenient current-driven dynamics. However, the precise control of (anti)skyrmion-based information unit transportation via electric current in conquer of skyrmion Hall effect remains challenging especially in ferromagnetic films, limiting their integration into spintronic devices. In this study, we demonstrate the density, velocity, and direction control of half-skyrmion, with a topological charge of 1/2, in a predictable and governable way under the stimuli of electric current in Pt/Co/Ta multilayers. The particular nonsymmetric configuration of half-skyrmion introduces variable competing forces under joint manipulation of magnetic field and electric current. Thereby, the half-skyrmion application with highly controllable dynamic behavior is further proposed in prototype devices such as half-skyrmionic racetrack memory device with parallelized operation, programmable logic devices, and neuromorphic computing artificial synapses. This work sheds light on the versatile spintronic applications of half-skyrmions through electromagnetic coordinated manipulation.
Engineering oxygen-evolving catalysts for acidic water electrolysis
Authors: Ta Xuan Minh Chau , Trần-Phú Thành , Nguyen Thi Kim Anh , Chatti Manjunath , Daiyan Rahman
Published: May 2024

The utilization of water electrolysis for green hydrogen (H2) production, powered by renewable energy, is a promising avenue for sustainable development. Proton-exchange-membrane water electrolysis (PEMWE) stands out as one of the most efficient H2 production technologies. However, implementing it on an industrial scale faces substantial challenges, particularly regarding the oxygen evolution reaction (OER). The OER, a critical process with inherently slow kinetics requiring additional potential, significantly influences overall water-splitting efficiency. Most OER electrocatalysts in PEMWE struggle with poor stability in harsh acidic environments at high oxidative potentials. While rare-earth metal oxides, such as iridium or ruthenium oxides, offer stability in commercial oxygen-evolving electrocatalysts (OECs), their use depends on achieving economically and sustainably viable operations. An alternative approach involves developing low- or non-noble metal-based OECs with sustaining high activity and long-term durability. Although such materials currently exhibit lower activity and stability than noble-based OECs, notable progress has been made in enhancing their performance. This review provides an overview of recent advancements in designing acidic-stable OECs based on low or without noble metal contents. It delves into the thermodynamics and degradation mechanisms of OECs in acidic media, evaluation parameters for activity and stability, strategies for developing active and acid-stable OECs, and the challenges and opportunities of acid water electrolysis. Through a detailed analysis of these aspects, the review aims to identify opportunities for engineering actively durable OECs.
Effects of Ag doping on texture and magnetic properties of directionally solidified Fe-17%Ga alloys
Authors: Dai Zhiyong , Zhou Chao , Zhao Qizhong , Cao Kaiyan , Zhang Zhengming , Wang Dunhui , Xue Dezhen , Murtaza Adil , Zhang Yin , Tian Fanghua , Zuo Wenliang , Matsushita Yoshitaka , Yang Sen , Song Xiaoping
Published: May 2024

FeGa-based alloys are potential candidates in magneto-mechanical transversion applications. It has been demonstrated that doping with certain elements results in the increase in λ100 and modification of the texture, both of which effectively enhance the magnetostriction of FeGa. However, the contribution of each factor is difficult to distinguish because of lacking an effective physical model. In this work, based on the independence of saturation magnetostriction (λs) on magnetic domain distribution, a paradigm that combines the orientation distribution function and magnetostriction tensor of single crystals is employed to quantify effects of texture on magnetostriction and predict λ100. Then this paradigm is applied to Ag-doped FeGa and the results reveal that the enhancement of λ100 plays a more crucial role in the enhancement of λs after Ag doping. Our work clarifies the contribution to magnetostriction enhancement from texture and λ100 in element-doped FeGa alloys, and may help develop more high-performance FeGa alloys.
A networked iron and nitrogen-doped ZIF-8/MWCNTs heterostructure for oxygen reduction reaction
Authors: Li Qingxia , Song Dongmei , Zhan Xinxing , Tong Xin , Hu Changgang , Tian Juan
Published: May 2024

Zeolitic Imidazolate Frameworks-8 (ZIF-8) is commonly used as an ideal precursor for non-noble metal catalysts because of its high specific surface area, ultra-high porosity, and N-rich content. Upon pyrolyzing ZIF-8 at 900 °C in Ar, the resulting material, referred to as Z8, displayed good activity toward the oxygen reduction reaction (ORR). Then the ZIF-8 was mixed with various conductive carbon materials, such as multiwall carbon nanotubes (MWCNTs), Acetylene black (ACET), Vulcan XC-72R (XC-72R), and Ketjenblack EC-600JD (EC-600JD), to form Z8 composites. The Z8/MWCNTs composite exhibited enhanced ORR activity owing to its network structure, meso-/microporous hierarchical porous structure, improved electrical conductivity, and graphitization. Subsequently, iron and nitrogen co-doping is achieved through the pyrolysis of a mixture comprising Fe, N precursor, and ZIF-8/MWCNTs, which is denoted as FeN-Z8/MWCNTs. The intrinsically high electrical conductivity of MWCNTs facilitated efficient electron transfer during the ORR, while the meso-/microporous hierarchical porous structure and network structure of Fe, N co-doped ZIF-8/MWCNTs promoted oxygen transport. The presence of Fe-containing species in the catalyst acted as activity centers for ORR. This strategy of preparing Z8 composites and modifying them with Fe, N co-doping offers an insightful approach to designing cost-effective electrocatalysts.
Pseudorandom lasing emission from self-patterned thin films of CsPbBr3
Authors: Ruditskiy Aleksey , Dass Chandriker K. , Trout Amanda H. , Stevenson Peter R. , Bedford Robert G. , McComb David W. , Durstock Michael F. , Kennedy W. Joshua
Published: May 2024

Metal halide perovskites have garnered considerable interest for their potential uses in high-efficiency photonics, particularly in the construction of on-chip lasers. Despite extensive efforts to understand the mechanisms underlying perovskite-based lasing, no clear consensus has emerged. Moreover, the fabrication of practical lasing emitters requires the challenging integration of a low-defect active material into a device architecture with minimized complexity. In this study, we demonstrate a simple, multimode lasing emitter composed of a millimeter-scale single-crystalline thin film of CsPbBr3. Dislocations, created during vapor-based film deposition, function as lasing cavity walls and form close-packed sets of resonators with random sizes at two orthogonal orientations within the thin film. Collecting ensemble temperature and power-dependent lasing characteristics of multiple, independent lasing modes in a single sample enables a statistical analysis of the underlying lasing mechanism. Our results reveal that the power-dependent red-shift in the stimulated emission envelope is caused by coupling between the radiatively recombining excitons and the collective oscillations of a photoexcited electron–hole plasma within the perovskite.
Deep learning and random light structuring ensure robust free-space communications
Authors: Li Xiaofei , Wang Yu , Liu Xin , Ma Yuan , Cai Yangjian , Ponomarenko Sergey A. , Liu Xianlong
Published: May 2024

Having shown early promise, free-space optical (FSO) communications face formidable challenges in the age of information explosion. The ever-growing demand for greater channel communication capacity is one of the challenges. The inter-channel crosstalk, which severely degrades the quality of transmitted information, creates another roadblock in the way of efficient implementation of FSO communication systems. Here, we advance theoretically and realize experimentally a potentially high-capacity FSO protocol that enables high-fidelity transfer of an image or set of images through a complex environment. In our protocol, we complement random light structuring at the transmitter with a deep learning image classification platform at the receiver. Multiplexing unique, independent, mutually orthogonal degrees of freedom available to structured random light can potentially significantly boost the channel communication capacity of our protocol without introducing any deleterious crosstalk. Specifically, we show how one can multiplex the degrees of freedom associated with the source coherence radius and a spatial position of a beamlet within an array of structured random beams to greatly enhance the capacity of our communication link. The superb resilience of structured random light to environmental noise, as well as extreme efficiency of deep learning networks at classifying images, guarantees high-fidelity image transfer within the framework of our protocol.
Local number fluctuations in ordered and disordered phases of water across temperatures: Higher-order moments and degrees of tetrahedrality
Authors: Klatt Michael A. , Kim Jaeuk , Gartner Thomas E. , Torquato Salvatore
Published: May 2024

The isothermal compressibility (i.e., related to the asymptotic number variance) of equilibrium liquid water as a function of temperature is minimal under near-ambient conditions. This anomalous non-monotonic temperature dependence is due to a balance between thermal fluctuations and the formation of tetrahedral hydrogen-bond networks. Since tetrahedrality is a many-body property, it will also influence the higher-order moments of density fluctuations, including the skewness and kurtosis. To gain a more complete picture, we examine these higher-order moments that encapsulate many-body correlations using a recently developed, advanced platform for local density fluctuations. We study an extensive set of simulated phases of water across a range of temperatures (80–1600 K) with various degrees of tetrahedrality, including ice phases, equilibrium liquid water, supercritical water, and disordered nonequilibrium quenches. We find clear signatures of tetrahedrality in the higher-order moments, including the skewness and excess kurtosis, which scale for all cases with the degree of tetrahedrality. More importantly, this scaling behavior leads to non-monotonic temperature dependencies in the higher-order moments for both equilibrium and non-equilibrium phases. Specifically, under near-ambient conditions, the higher-order moments vanish most rapidly for large length scales, and the distribution quickly converges to a Gaussian in our metric. However, under non-ambient conditions, higher-order moments vanish more slowly and hence become more relevant, especially for improving information-theoretic approximations of hydrophobic solubility. The temperature non-monotonicity that we observe in the full distribution across length scales could shed light on water’s nested anomalies, i.e., reveal new links between structural, dynamic, and thermodynamic anomalies.
Unknown crystal-like phases formed in an imidazolium ionic liquid: A metadynamics simulation study
Authors: Nada Hiroki
Published: May 2024

Crystal polymorphism of complex liquids plays a crucial role in industrial crystallization, food technology, pharmaceuticals, and materials engineering. However, the experimental identification of unknown crystal structures can be challenging, particularly for high-viscosity complex liquids, such as ionic liquids (ILs). In this study, we performed a molecular dynamics simulation coupled with metadynamics to investigate an imidazolium IL (1-alkyl-3-methylimidazolium hexafluorophosphates). The simulation employed two distinct radial-distribution functions, represented by Gaussian window functions as collective variables, and revealed at least two crystal-like phases distinct from the known α and β crystal phases typically formed by this IL. Additionally, the simulation unveiled a unique phase characterized by the ordered spatial arrangement of anion aggregations. These crystal-like and unique phases emerged regardless of the potential used. The simulation methodology presented here is broadly applicable for exploring unknown phases in complex systems and contributes to the design of functional materials, such as porous ILs for gas molecule capture and separation.
In situ formation of inhibitor species through catalytic surface reactions during area-selective atomic layer deposition of TaN
Authors: Merkx Marc J. M. , Tezsevin Ilker , Yu Pengmei , Janssen Thijs , Heinemans Rik H. G. M. , Lengers Rik J. , Chen Jiun-Ruey , Jezewski Christopher J. , Clendenning Scott B. , Kessels Wilhelmus M. M. , Sandoval Tania E. , Mackus Adriaan J. M.
Published: May 2024

Small molecule inhibitors (SMIs) have been gaining attention in the field of area-selective atomic layer deposition (ALD) because they can be applied in the vapor-phase. A major challenge for SMIs is that vapor-phase application leads to a disordered inhibitor layer with lower coverage as compared to self-assembled monolayers, SAMs. A lower coverage of SMIs makes achieving high selectivity for area-selective ALD more challenging. To overcome this challenge, mechanistic understanding is required for the formation of SMI layers and the resulting precursor blocking. In this study, reflection adsorption infrared spectroscopy measurements are used to investigate the performance of aniline as an SMI. Our results show that aniline undergoes catalytic surface reactions, such as hydrogenolysis, on a Ru non-growth area at substrate temperatures above 250 °C. At these temperatures, a greatly improved selectivity is observed for area-selective TaN ALD using aniline as an inhibitor. The results suggest that catalytic surface reactions of the SMI play an important role in improving precursor blocking, likely through the formation of a more carbon-rich inhibitor layer. More prominently, catalytic surface reactions can provide a new strategy for forming inhibitor layers that are otherwise very challenging or impossible to form directly through vapor-phase application.
Quantifying spin contamination in algebraic diagrammatic construction theory of electronic excitations
Authors: Stahl Terrence L. , Sokolov Alexander Yu.
Published: May 2024

Algebraic diagrammatic construction (ADC) is a computationally efficient approach for simulating excited electronic states, absorption spectra, and electron correlation. Due to their origin in perturbation theory, the single-reference ADC methods may be susceptible to spin contamination when applied to molecules with unpaired electrons. In this work, we develop an approach to quantify spin contamination in the ADC calculations of electronic excitations and apply it to a variety of open-shell molecules starting with either the unrestricted (UHF) or restricted open-shell (ROHF) Hartree–Fock reference wavefunctions. Our results show that the accuracy of low-order ADC approximations [ADC(2) and ADC(3)] significantly decreases when the UHF reference spin contamination exceeds 0.05 a.u. Such strongly spin-contaminated molecules exhibit severe excited-state spin symmetry breaking that contributes to decreasing the quality of computed excitation energies and oscillator strengths. In a case study of phenyl radical, we demonstrate that spin contamination can significantly affect the simulated UV/Vis spectra, altering the relative energies, intensities, and order of electronic transitions. The results presented here motivate the development of spin-adapted ADC methods for open-shell molecules.
Simultaneous observation of transverse and longitudinal photonic spin splitting in monolayer WSe2 via quantum weak measurement
Authors: Mandal Soumen , Das Akash , Pradhan Manik
Published: May 2024

We report on the observation of longitudinal (in-plane) and transverse (out-of-plane) spin splitting of incident linearly polarized (p and s) light beams reflected at the interface of tungsten di-selenide, a monolayer transition metal dichalcogenide material deposited on a Si/SiO2 substrate, near the Brewster angle of incidence employing the quantum weak measurement technique. The amplified longitudinal and transverse shift values reach up to hundreds of micrometers. The transverse shift value, measured approximately at 400 μm, dominates over the longitudinal shift value at Brewster incidence. In this work, we found positive and negative shift values for the same angle of incidence but distinct polarization states revealing the explicit dependencies upon the angle of incidence and the post-selection angle. The modified weak measurement model provides an excellent interpretation of these experimental findings. This work, thus, provides novel insights into the effects of light–matter interactions and could find important applications in optical switches, nano-photonics, and the non-destructive study of material properties.
High accuracy exponential decomposition of bath correlation functions for arbitrary and structured spectral densities: Emerging methodologies and new approaches
Authors: Takahashi Hideaki , Rudge Samuel , Kaspar Christoph , Thoss Michael , Borrelli Raffaele
Published: May 2024

This study investigates the decomposition of bath correlation functions (BCFs) in terms of complex exponential functions, with an eye on the realistic modeling of open quantum systems based on the hierarchical equations of motion. We introduce the theoretical background of various decomposition schemes in both time and frequency domains and assess their efficiency and accuracy by demonstrating the decomposition of various BCFs. We further develop a new procedure for the decomposition of BCFs originating from highly structured spectral densities with a high accuracy and compare it with existing fitting techniques. Advantages and disadvantages of each methodology are discussed in detail with special attention to their application to the corresponding quantum dynamical problem. This work provides fundamental tools for choosing and using a variety of decomposition techniques of BCFs for the study of open quantum systems in structured environments.
Investigating the origin of the far-field reflection interference fringe (RIF) of microdroplets
Authors: Kim Iltai Isaac , Lie Yang , Park Jaesung , Kim Hyun-Joong , Kim Hong-Chul , Yoon Hongkyu
Published: May 2024

We show that the reflection interference fringe (RIF) is formed on a screen far away from the microdroplets placed on a prism-based substrate, which have low contact angles and thin droplet heights, caused by the dual convex–concave profile of the droplet, not a pure convex profile. The geometric formulation shows that the interference fringes are caused by the optical path difference when the reflected rays from the upper convex profile at the droplet–air interface interfere with reflection from the lower concave profile at oblique angles lower than the critical angle. Analytic solutions are obtained for the droplet height and the contact angle out of the fringe number and the fringe radius in RIF from the geometric formulation. Furthermore, the ray tracing simulation is conducted using the custom-designed code. The geometric formulation and the ray tracing show excellent agreement with the experimental observation in the relation between the droplet height and the fringe number and the relation between the contact angle and the fringe radius. This study is remarkable as the droplet's dual profile cannot be easily observed with the existing techniques. However, the RIF technique can effectively verify the existence of a dual profile of the microdroplets in a simple setup. In this work, the RIF technique is successfully developed as a new optical diagnostic technique to determine the microdroplet features, such as the dual profile, the height, the contact angle, the inflection point, and the precursor film thickness, by simply measuring the RIF patterns on the far-field screen.
Modeling of spatiotemporal dynamics of ligand-coated particle flow in targeted drug delivery processes
Authors: Goraya Shoaib A. , Ding Shengzhe , Miller Ryan C. , Arif Mariam K. , Kong Hyunjoon , Masud Arif
Published: May 2024

Nanoparticles tethered with vasculature-binding epitopes have been used to deliver the drug into injured or diseased tissues via the bloodstream. However, the extent that blood flow dynamics affects nanoparticle retention at the target site after adhesion needs to be better understood. This knowledge gap potentially underlies significantly different therapeutic efficacies between animal models and humans. An experimentally validated mathematical model that accurately simulates the effects of blood flow on nanoparticle adhesion and retention, thus circumventing the limitations of conventional trial-and-error-based drug design in animal models, is lacking. This paper addresses this technical bottleneck and presents an integrated mathematical method that derives heavily from a unique combination of a mechanics-based dispersion model for nanoparticle transport and diffusion in the boundary layers, an asperity model to account for surface roughness of endothelium, and an experimentally calibrated stochastic nanoparticle–cell adhesion model to describe nanoparticle adhesion and subsequent retention at the target site under external flow. PLGA-
b
-HA nanoparticles tethered with VHSPNKK peptides that specifically bind to vascular cell adhesion molecules on the inflamed vascular wall were investigated. The computational model revealed that larger particles perform better in adhesion and retention at the endothelium for the particle sizes suitable for drug delivery applications and within physiologically relevant shear rates. The computational model corresponded closely to the in vitro experiments which demonstrates the impact that model-based simulations can have on optimizing nanocarriers in vascular microenvironments, thereby substantially reducing in vivo experimentation as well as the development costs.
SUMO-specific protease 1 regulates germinal center B cell response through deSUMOylation of PAX5
Authors: Qi Jingjing , Yan Lichong , Sun Jiping , Huang Chuanxin , Su Bing , Cheng Jinke , Shen Lei
Published: May 2024

Humoral immunity depends on the germinal center (GC) reaction where B cells are tightly controlled for class-switch recombination and somatic hypermutation and finally generated into plasma and memory B cells. However, how protein SUMOylation regulates the process of the GC reaction remains largely unknown. Here, we show that the expression of SUMO-specific protease 1 (SENP1) is up-regulated in GC B cells. Selective ablation of SENP1 in GC B cells results in impaired GC dark and light zone organization and reduced IgG1-switched GC B cells, leading to diminished production of class-switched antibodies with high-affinity in response to a TD antigen challenge. Mechanistically, SENP1 directly binds to Paired box protein 5 (PAX5) to mediate PAX5 deSUMOylation, sustaining PAX5 protein stability to promote the transcription of activation-induced cytidine deaminase. In summary, our study uncovers SUMOylation as an important posttranslational mechanism regulating GC B cell response.
Cow cuddling: Cognitive considerations in bovine-assisted therapy
Authors: Compitus Katherine , Bierbower Sonya M.
Published: May 2024

Animal-assisted therapy (AAT) is an integrative model frequently used in conjunction with other modalities such as psychodynamic psychotherapy and cognitive behavioral therapy. The most common AAT model is when a companion animal, such as a dog or cat, is integrated into a therapeutic treatment plan. This model has been studied with a variety of populations and conditions, from treating substance abuse to autism, often with positive results. Organizations that certify therapy animals will sometimes certify several species of animals to work as a therapeutic partner, such as llamas, miniature horses, and rabbits. However, to date there has been little research addressing the therapeutic benefits of animal-assisted interventions with farm animals. Cows have special behavioral traits that allow them to bond with people in a way that is unique to their size and temperament. Using the Human-Animal Interaction Scale (HAIS) as a measurement tool, we examined the behavioral and cognitive traits of cattle who work as therapy animals. Special attention will be paid to the welfare and enrichment benefits of cattle involved in bovine-assisted therapy.
Systematical High-Pressure Study of Praseodymium Nitrides in N-Rich Region
Authors: Liu 刘 Ran 冉 , Liu 刘 Shuang 爽 , Zhang 张 Ying 盈 , Wang 王 Peng 鹏 , Yao 姚 Zhen 震
Published: May 2024

We investigate high-pressure phase diagrams of Pr–N compounds by proposing five stable structures (Pnma-PrN, I4/mmm-PrN2, C2/m-PrN3,

P

1
¯

-PrN4, and R3-PrN8) and two metastable structures (

P

1
¯

-PrN6 and

P

1
¯

-PrN10). The

P

1
¯

-PrN6 with the N14-ring layer and R3-PrN8 with the N18-ring layer can be quenched to ambient conditions. For the

P

1
¯

-PrN10, the N22-ring layer structure transfers into infinite chains with the pressure quenched to ambient pressure. Remarkably, a novel polynitrogen hR8-N designed by the excision of Pr atoms from R3-PrN8 is obtained and can be quenched to ambient conditions. The N-rich structures of

P

1
¯

-PrN6, R3-PrN8, c-PrN10 and the solid pure nitrogen structure exhibit outstanding properties of energy density and explosive performance.
Reconstruction of inhomogeneous media by an iteration algorithm with a learned projector
Authors: Li Kai , Zhang Bo , Zhang Haiwen
Published: May 2024

This paper is concerned with the inverse problem of reconstructing an inhomogeneous medium from the acoustic far-field data at a fixed frequency in two dimensions. This inverse problem is severely ill-posed (and also strongly nonlinear), and certain regularization strategy is thus needed. However, it is difficult to select an appropriate regularization strategy which should enforce some a priori information of the unknown scatterer. To address this issue, we plan to use a deep learning approach to learn some a priori information of the unknown scatterer from certain ground truth data, which is then combined with a traditional iteration method to solve the inverse problem. Specifically, we propose a deep learning-based iterative reconstruction algorithm for the inverse problem, based on a repeated application of a deep neural network and the iteratively regularized Gauss–Newton method (IRGNM). Our deep neural network (called the learned projector in this paper) mainly focuses on learning the a priori information of the shape of the unknown contrast with a normalization technique in the training processes and is trained to act like a projector which is helpful for projecting the solution into some feasible region. Extensive numerical experiments show that our reconstruction algorithm provides good reconstruction results even for the high contrast case and has a satisfactory generalization ability.
Transient synergistic damage mechanism and characterization of silicon bipolar junction transistor
Authors: Tang Ge , Zhang Fuwang , Xiao Yao , Zhu Siji , Liu Jingrui , Li Mo
Published: May 2024

The silicon bipolar junction transistor (Si BJT) is widely used as a discrete device, but it is susceptible to damage from both ionization and displacement in nuclear radiation environments. Current research primarily focuses on steady-state irradiation to study the synergistic damage mechanism caused by ionization and displacement, with a lack of research on transient synergistic damage. This paper studies the energy deposition and distribution with different incident angles and energies when neutrons and photons are simultaneously incident, and found similarities in the energy deposition between low-energy photons and 1 MeV neutrons as well as high-energy photons and 1 MeV neutrons in synergistic damage. Additionally, transient current under simultaneous neutron and photon irradiation was calculated using COMSOL software. Simulation results indicate that by adjusting the number of photons, it is feasible to simulate the transient electrical characteristics of high-energy photons utilizing low-energy photons for synergistic damage. Hence, a novel characterization method, combining laser simulation and neutron sources, is developed to test the transient electrical characteristics of Si BJT with synergistic damage.
Extended states in random dimer gated graphene superlattices
Authors: Rodríguez-González R , García-Cervantes H , García-Rodríguez F J , Escalera Santos Gerardo J , Rodríguez-Vargas I
Published: May 2024

Ordered and disordered semiconductor superlattices represent structures with completely opposed properties. For instance, ordered superlattices exhibit extended Bloch-like states, while disordered superlattices present localized states. These characteristics lead to higher conductance in ordered superlattices compared to disordered ones. Surprisingly, disordered dimer superlattices, which consist of two types of quantum wells with one type always appearing in pairs, exhibit extended states. The percentage of dissimilar wells does not need to be large to have extended states. Furthermore, the conductance is intermediate between ordered and disordered superlattices. In this work, we explore disordered dimer superlattices in graphene. We calculate the transmission and transport properties using the transfer matrix method and the Landauer–Büttiker formalism, respectively. We identify and discuss the main energy regions where the conductance of random dimer superlattices in graphene is intermediate to that of ordered and disordered superlattices. We also analyze the resonant energies of the double quantum well cavity and the electronic structure of the host gated graphene superlattice (GGSL), finding that the coupling between the resonant energies and the superlattice energy minibands gives rise to the extended states in random dimer GGSLs.
Nonlinear divergence equation with potentials vanishing in some direction at infinity: the exponential critical case
Authors: Cardoso J A , Carvalho J L , de Medeiros E S
Published: May 2024

The purpose of this article is to state some weighted Sobolev embedding involving functions that vanishing only in a direction. In this setting we prove a weighted Trudinger–Moser type inequality and as an application, we addressed the existence of solutions to a class of elliptic equation of the form

−

div

(
a

(
x
)

∇
u
)

+
V

(
x
)

u
=
K

(
x
)

f

(
u
)

in

R

2

,

where the nonlinearity f has exponential critical growth in sense of Trudinger–Moser.
On non-contractible periodic orbits and bounded deviations
Authors: Liu Xiao-Chuan , Tal Fábio Armando
Published: May 2024

We present a dichotomy for surface homeomorphisms in the isotopy class of the identity. We show that, in the absence of a degenerate fixed point set, either there exists a uniform bound on the diameter of orbits of non-wandering points for the lifted dynamics in the universal covering space, or the map has non-contractible periodic orbits. We then use this new tool to characterize the dynamics of area preserving homeomorphisms of the torus without non-contractible periodic orbits, showing that if the fixed point set is non-degenerate, then either the lifted dynamics is uniformly bounded, or it has a single strong irrational dynamical direction.
Prediction model of early recurrence of multimodal hepatocellular carcinoma with tensor fusion
Authors: Wang Tianyi , Chen Haimei , Chen Zebin , Li Mingkai , Lu Yao
Published: May 2024

Objective. In oncology, clinical decision-making relies on a multitude of data modalities, including histopathological, radiological, and clinical factors. Despite the emergence of computer-aided multimodal decision-making systems for predicting hepatocellular carcinoma (HCC) recurrence post-hepatectomy, existing models often employ simplistic feature-level concatenation, leading to redundancy and suboptimal performance. Moreover, these models frequently lack effective integration with clinically relevant data and encounter challenges in integrating diverse scales and dimensions, as well as incorporating the liver background, which holds clinical significance but has been previously overlooked. Approach. To address these limitations, we propose two approaches. Firstly, we introduce the tensor fusion method to our model, which offers distinct advantages in handling multi-scale and multi-dimensional data fusion, potentially enhancing overall performance. Secondly, we pioneer the consideration of the liver background’s impact, integrating it into the feature extraction process using a deep learning segmentation-based algorithm. This innovative inclusion aligns the model more closely with real-world clinical scenarios, as the liver background may contain crucial information related to postoperative recurrence. Main results. We collected radiomics (MRI) and histopathological images from 176 cases diagnosed by experienced clinicians across two independent centers. Our proposed network underwent training and 5-fold cross-validation on this dataset before validation on an external test dataset comprising 40 cases. Ultimately, our model demonstrated outstanding performance in predicting early recurrence of HCC postoperatively, achieving an AUC of 0.883. Significance. These findings signify significant progress in addressing challenges related to multimodal data fusion and hold promise for more accurate clinical outcome predictions. In this study, we exploited global 3D liver background into modelling which is crucial to to the prognosis assessment and analyzed the whole liver background in addition to the tumor region. Both MRI images and histopathological images of HCC were fused at high-dimensional feature space using tensor techniques to solve cross-scale data integration issue.
Patient-specific radiation dose for Chinese pediatric patients undergoing whole-body PET/CT examinations
Authors: Jia Haoran , Xue Mengjia , Li Xianru , Zhuang Mingzan , Xie Tianwu
Published: May 2024

Objective. To assess potential variations in the absorbed dose between Chinese and Caucasian children exposed to 18F-FDG PET scan and to investigate the factors contributing to dose differences, this work employed patient-specific phantoms and our compartment model for calculating the patient-specific absorbed dose in Chinese children. Approach. Data of 29 Chinese pediatric patients undergoing whole-body 18F-FDG PET/CT studies were retrospectively collected, including PET images for activity distributions and corresponding CT images for organ segmentation and phantom construction. A biokinetic compartment model was implemented to obtain cumulated activities. Absorbed radiation dose for both CT and PET component were calculated using Monte Carlo simulations. Regression models were fitted to time integrated activity coefficient (TIAC) and organ absorbed dose for each patient. Main results. TIACs of all the organs in our compartment model and the organ dose for 12 organs were correlated with patients’ weight. Young children have significantly large uptake in brain compared to adults. The distinctions of anatomical and biological characteristics between Chinese and Caucasian children contribute to variations in the absorbed dose of 18F-FDG PET scans. PET contributed more in organ dose than CT did in most organs, especially in brain and bladder. The average effective dose (± SD) was 4.5 mSv (± 1.12 mSv), 7.8 mSv (± 3.2 mSv) and 12.3 mSv (± 3.5 mSv) from CT, PET and their sum respectively. PET contributed 1.7 times higher than CT. Significance. To the best of our knowledge, this work represents the first attempt to estimate patient-specific radiation doses from PET/CT for Chinese pediatric patients. TIACs derived from our methodology in both age groups exhibited significant differences from the that reported in ICRP 128. Substantial differences in absorbed and effective doses were observed between Chinese and Caucasian children across all age groups. These disparities are attributed to markedly distinct anatomical and pharmacokinetic characteristics among adults and pediatric patients, and different racial groups. The application of data derived from adults to pediatric patients introduces considerable uncertainty. Our methodology offers a valuable approach not only for estimating pharmacokinetic characteristics and patient-specific radiation doses in pediatric patients undergoing 18F-FDG studies but also for other cohorts with similar characteristics.
Investigation of a measurement-based dosimetry approach to beta particle-emitting radiopharmaceutical therapy nuclides across tissue interfaces
Authors: Bertinetti Andrew , Palmer Benjamin , Bradshaw Tyler , Culberson Wesley
Published: May 2024

Objective. In this work, we present and evaluate a technique for performing interface measurements of beta particle-emitting radiopharmaceutical therapy agents in solution. Approach. Unlaminated EBT3 film was calibrated for absorbed dose to water using a NIST matched x-ray beam. Custom acrylic source phantoms were constructed and placed above interfaces comprised of bone, lung, and water-equivalent materials. The film was placed perpendicular to these interfaces and measurements for absorbed dose to water using solutions of 90Y and 177Lu were performed and compared to Monte Carlo absorbed dose to water estimates simulated with EGSnrc. Surface and depth dose profile measurements were also performed. Main results. Surface absorbed dose to water measurements agreed with predicted results within 3.6% for 177Lu and 2.2% for 90Y. The agreement between predicted and measured absorbed dose to water was better for 90Y than 177Lu for depth dose and interface profiles. In general, agreement within k = 1 uncertainty bounds was observed for both radionuclides and all interfaces. An exception to this was found for the bone-to-water interface for 177Lu due to the increased sensitivity of the measurements to imperfections in the material surfaces. Significance. This work demonstrates the feasibility and limitations of using radiochromic film for performing absorbed dose to water measurements on beta particle-emitting radiopharmaceutical therapy agents across material interfaces.