bluuebunny/crossref_metadata_2025_split huggingface dataset:
Optimizing the Electronic Structure of Atomically Dispersed Ru Sites with CoP for Highly Efficient Hydrogen Evolution in both Alkaline and Acidic Media
Authors: Wang Zhuoping , Chi Kai , Yang Shengxiong , Xiao Junwu , Xiao Fei , Zhao Xiaoxu , Wang Shuai 
Published: May 2023

AbstractDeveloping efficient and stable electrocatalysts for hydrogen evolution reaction (HER) over a wide pH range and industrial large‐scale hydrogen production is critical and challenging. Here, a tailoring strategy is developed to fabricate an outstanding HER catalyst in both acidic and alkaline electrolytes containing high‐density atomically dispersed Ru sites anchored in the CoP nanoparticles supported on carbon spheres (NC@RuSA‐CoP). The obtained NC@RuSA‐CoP catalyst exhibits excellent HER performance with overpotentials of only 15 and 13 mV at 10 mA cm−2 in 1 m KOH and 0.5 m H2SO4, respectively. The experimental results and theoretical calculations indicate that the strong interaction between the Ru site and the CoP can effectively optimize the electronic structure of Ru sites to reduce the hydrogen binding energy and the water dissociation energy barrier. The constructed alkaline anion exchange membrane water electrolyze (AAEMWE) demonstrates remarkable durability and an industrial‐level current density of 1560 mA cm−2 at 1.8 V. This strategy provides a new perspective on the design of Ru‐based electrocatalysts with suitable intermediate adsorption strengths and paves the way for the development of highly active electrocatalysts for industrial‐scale hydrogen production.
Strain‐Engineering of Mesoporous Cs3Bi2Br9/BiVO4 S‐Scheme Heterojunction for Efficient CO2 Photoreduction
Authors: Zhou Biao , Xu Shuang , Wu Liqin , Li Mingjie , Chong Yanan , Qiu Yongcai , Chen Guangxu , Zhao Yun , Feng Chunhua , Ye Daiqi , Yan Keyou 
Published: May 2023

AbstractSlow charge kinetics and unfavorable CO2 adsorption/activation strongly inhibit CO2 photoreduction. In this study, a strain‐engineered Cs3Bi2Br9/hierarchically porous BiVO4 (s‐CBB/HP‐BVO) heterojunction with improved charge separation and tailored CO2 adsorption/activation capability is developed. Density functional theory calculations suggest that the presence of tensile strain in Cs3Bi2Br9 can significantly downshift the p‐band center of the active Bi atoms, which enhances the adsorption/activation of inert CO2. Meanwhile, in situ irradiation X‐ray photoelectron spectroscopy and electron spin resonance confirm that efficient charge transfer occurs in s‐CBB/HP‐BVO following an S‐scheme with built‐in electric field acceleration. Therefore, the well‐designed s‐CBB/HP‐BVO heterojunction exhibits a boosted photocatalytic activity, with a total electron consumption rate of 70.63 µmol g−1 h−1, and 79.66% selectivity of CO production. Additionally, in situ diffuse reflectance infrared Fourier transform spectroscopy reveals that CO2 photoreduction undergoes a formaldehyde‐mediated reaction process. This work provides insight into strain engineering to improve the photocatalytic performance of halide perovskite.
Molecular Dynamics of Drying‐Induced Structural Transformations in a Single Nanocellulose
Authors: Fujisawa Shuji , Daicho Kazuho , Yurtsever Ayhan , Fukuma Takeshi , Saito Tsuguyuki 
Published: May 2023

AbstractNanocellulose is attracting attention in the field of materials science as a sustainable building block. Nanocellulose‐based materials, such as films, membranes, and foams, are fabricated by drying colloidal dispersions. However, little is known about how the structure of a single nanocellulose changes during the complex drying process. Here, all‐atom molecular dynamics simulations and atomic force microscopy is used to investigate the structural dynamics of single nanocellulose during drying. It is found that the twist morphology of the nanocellulose became localized along the fibril axis during the final stage of the drying process. Moreover, it is shown that conformational changes at C6 hydroxymethyl groups and glycoside bond is accompanied by the twist localization, indicating that the increase in the crystallinity occurred in the process. It is expected that the results will provide molecular insights into nanocellulose structures in material processing, which is helpful for the design of materials with advanced functionalities.
Top‐Emitting Quantum Dot Light‐Emitting Diodes: Theory, Optimization, and Application
Authors: Lee Taesoo , Lee Minhyung , Seo Hansol , Kim Minjun , Chun Beomsoo , Kwak Jeonghun 
Published: May 2023

AbstractThe superior optical properties of colloidal quantum dots (QDs) have garnered significant broad interest from academia and industry owing to their successful application in self‐emitting QD‐based light‐emitting diodes (QLEDs). In particular, active research is being conducted on QLEDs with top‐emission device architectures (TQLEDs) owing to their advantages such as easy integration with conventional backplanes, high color purity, and excellent light extraction. However, due to the complicated optical phenomena and their highly sensitive optoelectrical properties to experimental variations, TQLEDs cannot be optimized easily for practical use. This review summarizes previous studies that have investigated top‐emitting device structures and discusses ways to advance the performance of TQLEDs. First, theories relevant to the optoelectrical properties of TQLEDs are introduced. Second, advancements in device optimization are presented, where the underlying theories for each are considered. Finally, multilateral strategies for TQLEDs to enable their wider application to advanced industries are discussed. This work believes that this review can provide valuable insights for realizing commercial TQLEDs applicable to a broad range of applications.
Key Challenges to Urban Water Management in ASEAN
Authors: Ong Corinne , Tortajada Cecilia , Arora Ojasvee 
Published: May 2023

AbstractThe ASEAN region experiences several socio-economic and environmental challenges brought on by rapid urbanisation, rising living standards, population growth, and climate change. Such challenges are severely impacting the region’s water access and long-term security. As a response to these challenges, governments have identified urban water demand management (WDM) as one of the measures of strategic importance. WDM aims to provide water users with efficient, cost-effective, and sustainable water supplies through various mechanisms.
The DeepHypergraph Library
Authors: Dai Qionghai , Gao Yue 
Published: May 2023

AbstractThis chapter introduces the DeepHypergraph library, which bridges the hypergraph theory and hypergraph applications. This library provides the generation of multiple low-order structures (such as graph and directed graph), high-order structures (such as hypergraph and directed hypergraph), datasets, operations, learning methods, visualizations, etc. We first introduce the design motivation and the overall architecture of the library. Then, we introduce the “correlation structure” and “function library” of the Deephypergraph library, respectively.
Mathematical Foundations of Hypergraph
Authors: Dai Qionghai , Gao Yue 
Published: May 2023

AbstractIn this chapter, we introduce the mathematical foundations of hypergraph and present the mathematical notations that are used to facilitate deep understanding and analysis of hypergraph structure. A hypergraph is composed of a set of vertices and hyperedges, and it is a generalization of a graph, where a weighted hypergraph quantifies the relative importance of hyperedges or vertices. Hypergraph can also be divided into two main categories, i.e., the undirected hypergraph representation and the directed hypergraph representation. The latter one further divides the vertices in one hyperedge into the source vertex set and the target vertex set to model more complex correlations. Additionally, we discuss the relationship between hypergraph and graph from the perspective of structural transformation and expressive ability. The most intuitive difference between a simple graph and a hypergraph can be observed in the size of order and expression of adjacency. A hypergraph can be converted into a simple graph using clique expansion, star expansion, and line expansion. Moreover, the proof based on random walks and Markov chains establishes the relationship between hypergraphs with edge-independent vertex weights and weighted graphs.
Hypergraph Modeling
Authors: Dai Qionghai , Gao Yue 
Published: May 2023

AbstractHypergraph modeling is the fundamental task in hypergraph computation, which targets on establishing a high-quality hypergraph structure to accurately formulate the high-order correlation among data. In this section, we introduce different hypergraph modeling methods to show how to build hypergraphs using various pieces of information, such as features, attributes, and/or graphs. These methods are organized into two broad categories, depending on whether these correlations are explicit or implicit, to distinguish the similarities and differences. We then further discuss different hypergraph structure optimization and generation methods, such as adaptive hypergraph modeling, generative hypergraph modeling, and knowledge hypergraph generation.
Geometric T-Duality: Buscher Rules in General Topology
Authors: Waldorf Konrad 
Published: May 2023

AbstractThe classical Buscher rules d escribe T-duality for metrics and B-fields in a topologically trivial setting. On the other hand, topological T-duality addresses aspects of non-trivial topology while neglecting metrics and B-fields. In this article, we develop a new unifying framework for both aspects.
Characterization of CTBT-Relevant Radioxenon Detections at IMS Stations Using Isotopic Activity Ratio Analysis
Authors: Liu Boxue , Kalinowski Martin , Sun Yunwei , Carrigan Charles R. , Saragiotis Christos , Wang Jun , Ertl Martin , Kijima Yuichi , Schoemaker Robin , Kuśmierczyk-Michulec Jolanta , Tipka Anne , Antoun Tarabay 
Published: May 2023

AbstractRadioxenon isotopes measured at radionuclide stations of the Comprehensive Nuclear-Test-Ban Treaty’s (CTBT) International Monitoring System (IMS) may indicate releases from underground nuclear explosions (UNEs) but are often caused by emissions from nuclear facilities. Characterization of CTBT-relevant nuclear events may use the evolution of isotopic activity ratios over time, which goes from the release of an assumed UNE, through atmospheric transport, to sample collections and measurements. A mathematical approach is presented to discuss the characterization of the spatial and temporal relationships between a nuclear explosion and radioxenon measurements. On the one hand, activity concentrations at an IMS station are estimated by using the assumed release scenario regarding a UNE and atmospheric transport modelling. On the other hand, the activities collected in the samples are determined by spectral analysis first and the activity concentrations in the air passing over the IMS station are estimated under an assumption of constant concentration during sampling. The isotopic ratios of activities released from the UNE are related to the isotopic ratios of activity concentrations in the plume of air crossing the IMS station, resulting in a function of the isotopic activity ratio over the time from detonation to sample measurement. The latter is used for discrimination of a nuclear test and estimation of the time of detonation, such as a four radioxenon plot of the activity ratio relationship of 135Xe/133Xe versus 133mXe/131mXe.
Extended hydrodynamical models for plasmas
Authors: Alì Giuseppe , Mascali Giovanni , Pezzi Oreste , Valentini Francesco 
Published: May 2023

AbstractWe propose an extended hydrodynamical model for plasmas, based on the moments of the electron distribution function which satisfies the Fokker–Planck–Landau (FPL) transport equation. The equations for the moments can be obtained by multiplying the FPL equation by the corresponding weight functions and integrating over the velocity space. The moments are decomposed in their convective and non–convective parts and closure relations for the fluxes and production terms can be obtained by using the maximum entropy distribution function, which depends on Lagrangian multipliers. These latter can be expressed in terms of the state variables by imposing the constraints that the maximum entropy distribution function reproduces the moments chosen as state variables. In particular, we will concentrate on the 13-moment system. As a first application, we treat the case of the relaxation towards equilibrium of a homogeneous plasma with a temperature anisotropy, showing that the results are in good agreement with those obtained by means of the Kogan solution of the kinetic equation.
Tolerance analysis by static analogy on 2D assemblies with fits and fasteners
Authors: Armillotta Antonio 
Published: May 2023

AbstractIn tolerance analysis, the effect of clearance fits is especially difficult to estimate because the mating parts are not necessarily in actual contact and can take an infinite number of relative positions. The treatment of these situations is allowed in most of the available methods, possibly introducing additional elements in the dimension chains with appropriate statistical assumptions. The paper provides a similar extension for the static analogy, a previously proposed method that converts the tolerance analysis problem into an equivalent problem of force analysis. The procedure represents each fit, possibly between patterns of features (e.g., fasteners and holes), with a proper constraint in the equivalent static model. The ability of the constraint to transmit forces and torques is determined according to the types and directions of misalignments allowed by the joint clearance. With simple rules, this avoids complications in the static model, which must include only the constraint between parts rather than the geometric details of the mating features. The extended method, currently limited to 2D dimension chains, is demonstrated on examples involving both dimensional and geometric tolerances. The comparison with existing methods shows the correctness of the proposed procedure. The simplicity of the workflow confirms the possibility, already demonstrated for the static analogy, of avoiding numerical simulations or even the use of computer-based tools.
The Existence of a Weak Solution to Volume Preserving Mean Curvature Flow in Higher Dimensions
Authors: Takasao Keisuke 
Published: May 2023

AbstractIn this paper, we construct a family of integral varifolds, which is a global weak solution to the volume preserving mean curvature flow in the sense of$$L^2$$L2-flow. This flow is also a distributional BV-solution for a short time, when the perimeter of the initial data is sufficiently close to that of a ball with the same volume. To construct the flow, we use the Allen–Cahn equation with a non-local term motivated by studies of Mugnai, Seis, and Spadaro, and Kim and Kwon. We prove the convergence of the solution for the Allen–Cahn equation to the family of integral varifolds with only natural assumptions for the initial data.
Volterra-type operators mapping weighted Dirichlet space into $$H^\infty $$
Authors: Peláez José Ángel , Rättyä Jouni , Wu Fanglei 
Published: May 2023

AbstractThe problem of describing the analytic functions g on the unit disc such that the integral operator $$T_g(f)(z)=\int _0^zf(\zeta )g'(\zeta )\,d\zeta $$

T
g

(
f
)

(
z
)

=

∫
0
z

f

(
ζ
)

g
′

(
ζ
)

d
ζ

is bounded (or compact) from a Banach space (or complete metric space) X of analytic functions to the Hardy space $$H^\infty $$

H
∞

is a tough problem, and remains unsettled in many cases. For analytic functions g with non-negative Maclaurin coefficients, we describe the boundedness and compactness of $$T_g$$

T
g

acting from a weighted Dirichlet space $$D^p_\omega $$

D
ω
p

, induced by an upper doubling weight $$\omega $$
ω
, to $$H^\infty $$

H
∞

. We also characterize, in terms of neat conditions on $$\omega $$
ω
, the upper doubling weights for which $$T_g: D^p_\omega \rightarrow H^\infty $$

T
g

:

D
ω
p

→

H
∞

is bounded (or compact) only if g is constant.
Chord skill: learning optimized hand postures and bimanual coordination
Authors: Verwey Willem B. 
Published: May 2023

AbstractThis reaction time study tested the hypothesis that in the case of finger movements skilled motor control involves the execution of learned hand postures. After delineating hypothetical control mechanisms and their predictions an experiment is described involving 32 participants who practiced 6 chord responses. These responses involved the simultaneous depression of one, two or three keys with either four right-hand fingers or two fingers of both hands. After practicing each of these responses for 240 trials, the participants performed the practiced and also novel chords with the familiar and with the unfamiliar hand configuration of the other practice group. The results suggest that participants learned hand postures rather than spatial or explicit chord representations. Participants practicing with both hands also developed a bimanual coordination skill. Chord execution was most likely slowed by interference between adjacent fingers. This interference seemed eliminated with practice for some chords but not for others. Hence, the results support the notion that skilled control of finger movements is based on learned hand postures that even after practice may be slowed by interference between adjacent fingers.
Polynomial-Time Axioms of Choice and Polynomial-Time Cardinality
Authors: Grochow Joshua A. 
Published: May 2023

AbstractThere is no single canonical polynomial-time version of the Axiom of Choice (AC); several statements of AC that are equivalent in Zermelo-Fraenkel (ZF) set theory are already inequivalent from a constructive point of view, and are similarly inequivalent from a complexity-theoretic point of view. In this paper we show that many classical formulations of AC, when restricted to polynomial time in natural ways, are equivalent to standard complexity-theoretic hypotheses, including several that were of interest to Selman. This provides a unified view of these hypotheses, and we hope provides additional motivation for studying some of the lesser-known hypotheses that appear here. Additionally, because several classical forms of AC are formulated in terms of cardinals, we develop a theory of polynomial-time cardinality. Nerode & Remmel (Contemp. Math.106, 1990 and Springer Lec. Notes Math. 1432, 1990) developed a related theory, but restricted to unary sets. Downey (Math. Reviews MR1071525) suggested that such a theory over larger alphabets could have interesting connections to more standard complexity questions, and we illustrate some of those connections here. The connections between AC, cardinality, and complexity questions also allow us to highlight some of Selman’s work. We hope this paper is more of a beginning than an end, introducing new concepts and raising many new questions, ripe for further research.
The relationship between tumour dosimetry, response, and overall survival in patients with unresectable Neuroendocrine Neoplasms (NEN) treated with 177Lu DOTATATE (LuTate)
Authors: Alipour R. , Jackson P. , Bressel M. , Hogg A. , Callahan J. , Hicks R. J. , Kong G. 
Published: May 2023

Abstract
Peptide Receptor Radionuclide Therapy (PRRT) delivers targeted radiation to Somatostatin Receptor (SSR) expressing Neuroendocrine Neoplasms (NEN). We sought to assess the predictive and prognostic implications of tumour dosimetry with respect to response by 68 Ga DOTATATE (GaTate) PET/CT molecular imaging tumour volume of SSR (MITVSSR) change and RECIST 1.1, and overall survival (OS).

Methods
Patients with gastro-entero-pancreatic (GEP) NEN who received LuTate followed by quantitative SPECT/CT (Q-SPECT/CT) the next day (Jul 2010 to Jan 2019) were retrospectively reviewed. Single time-point (STP) lesional dosimetry was performed for each cycle using population-based pharmacokinetic modelling. MITVSSR and RECIST 1.1 were measured at 3-months post PRRT.

Results
Median of 4 PRRT cycles were administered to 90 patients (range 2–5 cycles; mean 27.4 GBq cumulative activity; mean 7.6 GBq per cycle). 68% received at least one cycle with radiosensitising chemotherapy (RSC). RECIST 1.1 partial response was 24%, with 70% stable and 7% progressive disease. Cycle 1 radiation dose in measurable lesions was associated with local response (odds ratio 1.5 per 50 Gy [95% CI: 1.1–2.0], p = 0.002) when adjusted by tumour grade and RSC. Median change in MITVSSR was -63% (interquartile range -84 to -29), with no correlation with radiation dose to the most avid lesion on univariable or multivariant analyses (5.6 per 10 Gy [95% CI: -1.6, 12.8], p = 0.133). OS at 5-years was 68% (95% CI: 56–78%). Neither baseline MITVSSR (hazard ratio 1.1 [95% CI: 1.0, 1.2], p = 0.128) nor change in baseline MITVSSR (hazard ratio 1.0 [95% CI: 1.0, 1.1], p = 0.223) were associated with OS when adjusted by tumour grade and RSC but RSC was (95% CI: 0.2, 0.8, p = 0.012).

Conclusion
Radiation dose to tumour during PRRT was predictive of radiologic response but not survival. Survival outcomes may relate to other biological factors. There was no evidence that MITVSSR change was associated with OS, but a larger study is needed.
Induction of cancer neoantigens facilitates development of clinically relevant models for the study of pancreatic cancer immunobiology
Authors: Panni Usman Y. , Chen Michael Y. , Zhang Felicia , Cullinan Darren R. , Li Lijin , James C. Alston , Zhang Xiuli , Rogers S. , Alarcon A. , Baer John M. , Zhang Daoxiang , Gao Feng , Miller Christopher A. , Gong Qingqing , Lim Kian-Huat , DeNardo David G. , Goedegebuure S. Peter , Gillanders William E. , Hawkins William G. 
Published: May 2023

AbstractNeoantigen burden and CD8 T cell infiltrate are associated with clinical outcome in pancreatic ductal adenocarcinoma (PDAC). A shortcoming of many genetic models of PDAC is the lack of neoantigen burden and limited T cell infiltrate. The goal of the present study was to develop clinically relevant models of PDAC by inducing cancer neoantigens in KP2, a cell line derived from the KPC model of PDAC. KP2 was treated with oxaliplatin and olaparib (OXPARPi), and a resistant cell line was subsequently cloned to generate multiple genetically distinct cell lines (KP2-OXPARPi clones). Clones A and E are sensitive to immune checkpoint inhibition (ICI), exhibit relatively high T cell infiltration, and have significant upregulation of genes involved in antigen presentation, T cell differentiation, and chemokine signaling pathways. Clone B is resistant to ICI and is similar to the parental KP2 cell line in terms of relatively low T cell infiltration and no upregulation of genes involved in the pathways noted above. Tumor/normal exome sequencing and in silico neoantigen prediction confirms successful generation of cancer neoantigens in the KP2-OXPARPi clones and the relative lack of cancer neoantigens in the parental KP2 cell line. Neoantigen vaccine experiments demonstrate that a subset of candidate neoantigens are immunogenic and neoantigen synthetic long peptide vaccines can restrain Clone E tumor growth. Compared to existing models, the KP2-OXPARPi clones better capture the diverse immunobiology of human PDAC and may serve as models for future investigations in cancer immunotherapies and strategies targeting cancer neoantigens in PDAC.