bluuebunny/crossref_metadata_2025_split huggingface dataset:
A substructure‐aware graph neural network incorporating relation features for drug–drug interaction prediction
Authors: Dong Liangcheng , Feng Baoming , Deng Zengqian , Wang Jinlong , Ni Peihao , Zhang Yuanyuan 
Published: July 2024

AbstractIdentifying drug–drug interactions (DDIs) is an important aspect of drug design research, and predicting DDIs serves as a crucial guarantee for avoiding potential adverse effects. Current substructure‐based prediction methods still have some limitations: (i) The process of substructure extraction does not fully exploit the graph structure information of drugs, as it only evaluates the importance of different radius substructures from a single perspective. (ii) The process of constructing drug representations has overlooked the significant impact of relation embedding on optimizing drug representations. In this work, we propose a substructure‐aware graph neural network incorporating relation features (RFSA‐DDI) for DDI prediction, which introduces a directed message passing neural network with substructure attention mechanism based on graph self‐adaptive pooling (GSP‐DMPNN) and a substructure‐aware interaction module incorporating relation features (RSAM). GSP‐DMPNN utilizes graph self‐adaptive pooling to comprehensively consider node features and local drug information for adaptive extraction of substructures. RSAM interacts drug features with relation representations to enhance their respective features individually, highlighting substructures that significantly impact predictions. RFSA‐DDI is evaluated on two real‐world datasets. Compared to existing methods, RFSA‐DDI demonstrates certain advantages in both transductive and inductive settings, effectively handling the task of predicting DDIs for unseen drugs and exhibiting good generalization capability. The experimental results show that RFSA‐DDI can effectively capture valuable structural information of drugs more accurately for DDI prediction, and provide more reliable assistance for potential DDIs detection in drug development and treatment stages.
Nonlinear continuous‐time system identification by linearization around a time‐varying setpoint
Authors: Sharabiany Mehrad Ghasem , Ebrahimkhani Sadegh , Lataire John 
Published: July 2024

AbstractThis article addresses the identification of unknown nonlinear continuous‐time systems through a linear time‐varying (LTV) approximation as a starting point. The mathematical form of the nonlinear system is unknown and is reconstructed by use of a well‐designed experiment, followed by LTV and linear parameter‐varying (LPV) estimations, and an integration step. The experiment used allows for a linearization of the unknown nonlinear system around a time‐varying operating point (system trajectory), resulting in an LTV approximation. After estimating the LTV model, an LPV model is identified, where the parameter‐varying (PV) coefficients represent partial derivatives of the unknown nonlinear system evaluated at the trajectory. We demonstrate a structural relation in the LPV model structure that ensures that the LPV coefficient vector is the gradient of the unknown nonlinear system. The nonlinear model of the system is then reconstructed through symbolic integration of the PV coefficients. This identification method enables the estimation of the unknown nonlinear system and its mathematical form using input–output measurements. The article concludes by illustrating the method on simulation examples.
Recent advances in photochromic smart windows based on inorganic materials
Authors: Meng Weihao , Wang Jingxia , Jiang Lei 
Published: July 2024

AbstractThe emergence of smart windows has been a pivotal innovation in the field of energy efficiency and carbon emission reduction, sparking considerable interest worldwide. This review consolidates the latest research developments in inorganic‐based photochromic materials for smart windows applications, encompassing the design of device architectures, and their implementation in enhancing energy conservation, augmenting comfort levels, and optimizing indoor environmental control. Finally, this review culminates in an insightful analysis of the challenges and constraints in the existing research landscapes, which illuminates guidance for the directions and perspectives of future research.
Multilayer Core‐Shell Fiber Device for Improved Strain Sensing and Supercapacitor Applications
Authors: Hossain Md Milon , Kungsadalpipob Patrapee , He Nanfei , Gao Wei , Bradford Philip 
Published: July 2024

Abstract1D fiber devices, known for their exceptional flexibility and seamless integration capabilities, often face trade‐offs between desired wearable application characteristics and actual performance. In this study, a multilayer device composed of carbon nanotube (CNT), transition metal carbides/nitrides (MXenes), and cotton fibers, fabricated using a dry spinning method is presented, which significantly enhances both strain sensing and supercapacitor functionality. This core‐shell fiber design achieves a record‐high sensitivity (GF ≈ 4500) and maintains robust durability under various environmental conditions. Furthermore, the design approach markedly influences capacitance, correlating with the percentage of active material used. Through systematic optimization, the fiber device exhibited a capacitance 26‐fold greater than that of a standard neat CNT fiber, emphasizing the crucial role of innovative design and high active material loading in improving device performance.
Homogenizing The Low‐Dimensional Phases for Stable 2D‐3D Tin Perovskite Solar Cells
Authors: Kang Ziyong , Wang Kun , Zhang Lu , Yang Yang , Wu Jiandong , Tong Yu , Yan Peng , Chen Yali , Qi Heng , Sun Kun , Müller‐Buschbaum Peter , Zhang Xuewen , Shang Jingzhi , Wang Hongqiang 
Published: July 2024

Abstract2D‐3D tin‐based perovskites are considered as promising candidates for achieving efficient lead‐free perovskite solar cells (PSCs). However, the existence of multiple low‐dimensional phases formed during the film preparation hinders the efficient transport of charge carriers. In addition, the non‐homogeneous distribution of low‐dimensional phases leads to lattice distortion and increases the defect density, which are undesirable for the stability of tin‐based PSCs. Here, mixed spacer cations [diethylamine (DEA+) and phenethylamine (PEA+)] are introduced into tin perovskite films to modulate the distribution of the 2D phases. It is found that compared to the film with only PEA+, the combination of DEA+ and PEA+ favors the formation of homogeneous low‐dimensional perovskite phases with three octahedral monolayers (n = 3), especially near the bottom interface between perovskite and hole transport layer. The homogenization of 2D phases help improve the film quality with reduced lattice distortion and released strain. With these merits, the tin PSC shows significantly improved stability with 94% of its initial efficiency retained after storing in a nitrogen atmosphere for over 4600 h, and over 80% efficiency maintained after continuous illumination for 400 h.
Improving the Oxygen Evolution Reaction Kinetics in Zn‐Air Battery by Iodide Oxidation Reaction
Authors: Ran Jiaqi , Chen Peng , Quan Xiangning , Si Mingsu , Gao Daqiang 
Published: July 2024

AbstractZinc‐air batteries (ZABs) have garnered considerable attention as a highly promising contender in the field of energy storage and conversion. Nevertheless, their performance is considerably impeded by the proliferation of dendrites on the Zinc anode and the slow kinetics of the redox reaction on the air cathode. Herein, taking Ag30%@LaCoO3 (Ag30%@LCO) heterojunction catalyst as the cathode, it is demonstrated that adding KI additives to the alkaline electrolyte can not only enhance the oxygen electrocatalytic reaction but also inhibit the formation of zinc anode dendrites, thereby achieving a comprehensive improvement in the performance of ZABs. Under the action of the KI additive, the optimized Ag30%@LCO catalyst shows a decreased overpotential from 460 to 220 mV at j = 10 mA cm−2, while the assembled ZAB shows reduced charging potential (1.8 V), and long cycle stability (180 h). Furthermore, the morphology characterization results indicate a reduction in dendrites on the Zn anode. Both experimental and calculated results indicate that the presence of I− as a reaction modifier alters the trajectory of the conventional oxygen evolution reaction, resulting in a more thermodynamically favorable pathway. The introduction of KI additives as electrolytes provides a straightforward approach to developing comprehensively improved ZABs.
Engineering Sonosensitizer‐Derived Nanotheranostics for Augmented Sonodynamic Therapy
Authors: Yang Fuhong , Lv Jingqi , Ma Wen , Yang Yanling , Hu Xiaoming , Yang Zhen 
Published: July 2024

AbstractSonodynamic therapy (SDT), featuring noninvasive, deeper penetration, low cost, and repeatability, is a promising therapy approach for deep‐seated tumors. However, the general or only utilization of SDT shows low efficiency and unsatisfactory treatment outcomes due to the complicated tumor microenvironment (TME) and SDT process. To circumvent the issues, three feasible approaches for enhancing SDT‐based therapeutic effects, including sonosensitizer optimization, strategies for conquering hypoxia TME, and combinational therapy are summarized, with a particular focus on the combination therapy of SDT with other therapy modalities, including chemodynamic therapy, photodynamic therapy, photothermal therapy, chemotherapy, starvation therapy, gas therapy, and immunotherapy. In the end, the current challenges in SDT‐based therapy on tumors are discussed and feasible approaches for enhanced therapeutic effects are provided. It is envisioned that this review will provide new insight into the strategic design of high‐efficiency sonosensitizer‐derived nanotheranostics, thereby augmenting SDT and accelerating the potential clinical transformation.
Advancing COVID‐19 Diagnosis: Enhancement in SERS‐PCR with 30‐nm Au Nanoparticle‐Internalized Nanodimpled Substrates
Authors: Dang Hajun , Joung Younju , Yang Jun‐Yeong , Lee Soo Hyun , Lee Seunghun , Joo Sang‐Woo , Park Sung‐Gyu , Choo Jaebum 
Published: July 2024

AbstractReal‐time polymerase chain reaction (RT‐PCR) with fluorescence detection is the gold standard for diagnosing coronavirus disease 2019 (COVID‐19) However, the fluorescence detection in RT‐PCR requires multiple amplification steps when the initial deoxyribonucleic acid (DNA) concentration is low. Therefore, this study has developed a highly sensitive surface‐enhanced Raman scattering‐based PCR (SERS‐PCR) assay platform using the gold nanoparticle (AuNP)‐internalized gold nanodimpled substrate (AuNDS) plasmonic platform. By comparing different sizes of AuNPs, it is observed that using 30 nm AuNPs improves the detection limit by approximately ten times compared to 70 nm AuNPs. Finite‐difference time‐domain (FDTD) simulations show that multiple hotspots are formed between AuNPs and the cavity surface and between AuNPs when 30 nm AuNPs are internalized in the cavity, generating a strong electric field. With this 30 nm AuNPs‐AuNDS SERS platform, the severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) ribonucleic acid (RNA)‐dependent RNA polymerase (RdRp) can be detected in only six amplification cycles, significantly improving over the 25 cycles required for RT‐PCR. These findings pave the way for an amplification‐free molecular diagnostic system based on SERS.
Adsorption behaviors of perfluorooctanoic acid on aged microplastics
Authors: Ning Zigong , Zhou Shuang , Yang Ying , Li Pengxiang , Zhao Zilong , Zhang Wei , Lu Lu , Ren Nanqi 
Published: July 2024

AbstractThe presence of perfluoroalkyl substances (PFAS) in the environment poses a significant threat to ecological safety and environmental health. Widespread microplastics (MPs) have been recognized as vectors for emerging contaminants due to human activities. However, the adsorption behaviors of PFAS on MPs, especially on aged MPs, have not been extensively investigated. This study aimed to investigate the adsorption behaviors of perfluorooctanoic acid (PFOA) on aged MPs (polystyrene, polyethylene, and polyethylene terephthalate) treated with UV irradiation and persulfate oxidation under salinity and dissolve organic matter (DOM) condition. Carbonyl index values of MPs increased after the aged treatment, indicating the production of oxygen‐containing groups. The PFOA adsorption on aged MPs was impacted by the co‐existence of Na+ ions and DOM. As PFOA adsorption onto aged MPs was mainly controlled by hydrophobic interaction, the electrostatic interaction also made a contribution, but there was no significant change in PFOA adsorption behavior between the pristine and aged MPs. While these findings provide insight into PFAS adsorption on aged MPs, further research is necessary to account for the complexity of the real environment.Practitioner Points
Adsorption behaviors of perfluorooctanoic acid (PFOA) on aged microplastics were investigated.
Hydrophobic interaction mainly controlled PFOA adsorption on aged microplastics (MPs).
Co‐existence dissolve organic matter and salinity influenced PFOA adsorption behaviors on aged MPs.
Impact of injury mechanism on early wound closure in patients with acute conflict‐related extremity wounds: A prospective cohort analysis from two civilian hospitals in Iraq and Jordan
Authors: Haque Ghazal , Haweizy Rawand , Bashaireh Khaldoon , Malmstedt Jonas , Älgå Andreas 
Published: July 2024

AbstractBackgroundGunshots and bomb blasts are important causes of extremity injuries in conflict zones, yet little research exists on the characteristics and outcomes of these injuries in civilian populations.MethodsWe performed a prospective cohort analysis utilizing data from a randomized trial conducted at two civilian hospitals in Jordan and Iraq in 2015–2019. Adults who presented ≤72 h of sustaining an extremity injury were included. We used mechanism of injury (gunshot/bomb blast) as the exposure and wound closure by day 5 as the primary outcome measure.ResultsThe population predominantly comprised young men (n = 163, 94% male, and median age 29 years) injured by gunshots (61%) or bomb blasts (39%). Compared with the gunshot group, more participants in the bomb blast group had concomitant injuries (32/63 [51%] vs. 11/100 [11%], p < 0.001) and vascular injuries (9/63 [14%] vs. 4/100 [4%], p = 0.02). The wounds were larger in the bomb blast group compared with the gunshot group (median area 86 cm2 [IQR 24–161] vs. 21 cm2 [IQR 7–57], p < 0.001). Compared with the bomb blast group, significantly more participants in the gunshot group achieved wound closure by day 5 (74/100 [74%] vs. 16/63 [25%], p < 0.001). This difference remained after controlling for confounding factors (odds ratio 4.7, 95% confidence interval 1.6–13.7).ConclusionsIn civilians with conflict‐related extremity injuries, bomb blast wounds had a lower likelihood of achieving closure within 5 days than gunshot wounds, independent of other factors, such as wound size and vascular injuries.Trial RegistrationClinicalTrials.gov, NCT02444598. Registered 14‐05‐2015, https://classic.clinicaltrials.gov/ct2/show/NCT02444598.
The effect of tranexamic acid on blood transfusion in lower gastrointestinal bleeding—A double blind prospective randomised controlled trial
Authors: Moscovici Avihai , Nasasra Ahmad , Hammerschlag Jonathan , Zaharov Rafael , Kirshtein Anna , Dykman Daniel , Lavy Ron , Zmora Oded 
Published: July 2024

AbstractPurposeAcute gastrointestinal bleeding is a common emergency. Tranexamic acid (TXA) reduces clot breakdown by inhibiting the action of plasmin and has been shown to reduce the need for blood transfusion in trauma, surgical procedures, and upper gastrointestinal bleeding. This study examined the efficiency of intravenous TXA in patients with acute lower gastrointestinal bleeding.MethodsEighty‐one patients aged >18 years with lower GI hemorrhage, presenting as active rectal bleeding and anemia (hemoglobin lower than 11 g/dL or a decrease of 2 gr/dl from the patient's base level), were enrolled in this single center, double blind prospective research. Patients were randomly assigned to receive intravenous TXA or placebo from admission until colonoscopy took place. The need for transfusion of packed red blood cells (PRBC) and number of units was recorded and compared between the two groups.ResultsEighty‐one patients were randomized in this study, thirty‐nine in the TXA arm, and forty‐two in the placebo arm. Patient characteristics did not differ between the groups. Forty‐three out of the 81 patients received blood transfusion; twenty‐two were on the placebo arm and twenty‐one on the TXA arm (p = 0.89). Twenty‐nine patients required 2 or more units, 14 in the TXA arm and 15 in the placebo arm (p = 0.98).ConclusionsIntravenous TXA has no significant effect on blood requirement in patients with lower GI bleeding. There was no difference in the consumption of PRBC units among the patients in the placebo and TXA groups. It seems that tranexamic acid has no significant effect on transfusion of PRBC units in lower GI bleeding.
Ruthenium‐Catalyzed Hydrosilylation of Aldehydes with Hydrooligosilanes
Authors: Kanno Ken‐ichiro , Sunaga Yasuhiro , Kyushin Soichiro 
Published: July 2024

AbstractRuthenium‐catalyzed hydrosilylation of aldehydes with hydrooligosilanes is reported. Among the examined ruthenium catalysts, RuH2(CO)(PPh3)3 gave the best results. The reactions proceed with the Si−Si bonds preserved to afford the corresponding alkoxyoligosilanes in good yields. A series of aryl aldehydes with an electron‐withdrawing group is applicable, whereas those with an electron‐donating group are not suitable for the reaction. Mechanistic considerations suggest that the key points for the preservation of the Si−Si bonds are the formation of zero‐valent ruthenium species and the efficient coordination of the aldehyde to the ruthenium center prior to the oxidative addition of the Si−H bond.
Marginally deformed AdS5/CFT4 and spindle-like orbifolds
Authors: Macpherson Niall T. , Merrikin Paul , Nunez Carlos 
Published: July 2024

Abstract
We study marginal deformations of $$ \mathcal{N} $$
N
= 2, d = 4 long linear quiver CFTs using the holographic description. We find a two-parameter family of AdS5 solutions that generically break all of supersymmetry, but preserve $$ \mathcal{N} $$
N
= 1 for a particular tuning of the parameters. We study the G-structure of the $$ \mathcal{N} $$
N
= 2 “parent” and the $$ \mathcal{N} $$
N
= 1 backgrounds and carefully discuss the quantisation of charges in all cases. For the $$ \mathcal{N} $$
N
= 1 and $$ \mathcal{N} $$
N
= 0 cases, a picture emerges with “branes” back-reacted on either a spindle or its higher dimensional analogue. Comments on the marginally deformed dual CFTs are given, together with the study of some observables.
Entanglement inside a black hole before the Page time
Authors: Liu Yuxuan , Jian Shao-Kai , Ling Yi , Xian Zhuo-Yu 
Published: July 2024

Abstract
We investigate the evolution of entanglement within an open, strongly coupled system interacting with a heat bath as its environment, in the frameworks of both the doubly holographic model and the Sachdev-Ye-Kitaev (SYK) model. Generally, the entanglement within the system initially increases as due to internal interactions; however, it eventually dissipates into the environment. In the doubly holographic setup, we consider an end-of-the-world brane in the bulk to represent an eternal black hole coupled with its radiation and the evolution of the global thermofield double (TFD) state. For small black holes, the reflected entropy between the bipartition exhibits a ramp-plateau-slump behavior, where the plateau arises due to the phase transition of the entanglement wedge cross-section before the Page time. Similarly, the mutual information between the bipartition displays a ramp-slop-stabilizing behavior. In quantum mechanics, we consider a double copy of the SYK-plus-bath system in a global TFD state, resembling an eternal black hole interacting with an environment. The Rényi mutual information within the double-copied SYK clusters exhibits a ramp-plateau-slope-stabilizing behavior. The dynamic behaviors of the entanglement quantities observed in these two models are attributable to the competition between the internal interaction of the system and the external interaction with the baths. Our study provides a fine-grained picture of the entanglement dynamics inside black holes before their Page time.
Black hole bulk-cone singularities
Authors: Dodelson Matthew , Iossa Cristoforo , Karlsson Robin , Lupsasca Alexandru , Zhiboedov Alexander 
Published: July 2024

Abstract
Lorentzian correlators of local operators exhibit surprising singularities in theories with gravity duals. These are associated with null geodesics in an emergent bulk geometry. We analyze singularities of the thermal response function dual to propagation of waves on the AdS Schwarzschild black hole background. We derive the analytic form of the leading singularity dual to a bulk geodesic that winds around the black hole. Remarkably, it exhibits a boundary group velocity larger than the speed of light, whose dual is the angular velocity of null geodesics at the photon sphere. The strength of the singularity is controlled by the classical Lyapunov exponent associated with the instability of nearly bound photon orbits. In this sense, the bulk-cone singularity can be identified as the universal feature that encodes the ubiquitous black hole photon sphere in a dual holographic CFT. To perform the computation analytically, we express the two-point correlator as an infinite sum over Regge poles, and then evaluate this sum using WKB methods. We also compute the smeared correlator numerically, which in particular allows us to check and support our analytic predictions. We comment on the resolution of black hole bulk-cone singularities by stringy and gravitational effects into black hole bulk-cone “bumps”. We conclude that these bumps are robust, and could serve as a target for simulations of black hole-like geometries in table-top experiments.
Easy bootstrap for the 3D Ising model: a hybrid approach of the lightcone bootstrap and error minimization methods
Authors: Li Wenliang 
Published: July 2024

Abstract
As a simple lattice model that exhibits a phase transition, the Ising model plays a fundamental role in statistical and condensed matter physics. The Ising transition is realized by physical systems, such as the liquid-vapor transition. Its continuum limit also furnishes a basic example of interacting quantum field theories and universality classes. Motivated by a recent hybrid bootstrap study of the quantum quartic oscillator, we revisit the conformal bootstrap approach to the 3D Ising model at criticality, without resorting to positivity constraints. We use at most 10 nonperturbative crossing constraints at low derivatives from the Taylor expansion around a crossing symmetric point. The high-lying contributions are approximated by simple analytic formulae deduced from the lightcone singularity structure. Surprisingly, the low-lying properties are determined to good accuracy by this computationally very cheap approach. For instance, the results for the two relevant scaling dimensions (∆σ, ∆ϵ) ≈ (0.518153, 1.41278) are close to the most precise rigorous bounds obtained at a much higher computational cost.