bluuebunny/crossref_metadata_2025_split huggingface dataset:
Optically Active Defect Engineering via Plasma Treatment in a MIS‐Type 2D Heterostructure
Authors: Tao Yingjie , Tian Ran , Zhou Jiayuan , Chu Kui , Chen Xuegang , Gao Wenshuai , Wang Guopeng , Jiang Yuxuan , Watanabe Kenji , Taniguchi Takashi , Tian Mingliang , Liu Xue 
Published: June 2024

AbstractAt the interface of 2D heterostructures, the presence of defects and their manipulation play a crucial role in the interfacial charge transfer behavior, further influencing the device functionality and performance. In this study, the impact of deliberately introduced photo‐active defects in the h‐BN layer on the interfacial charge transfer and photoresponse performance of a metal‐insulator‐semiconductor type heterostructure device is explored. The formation and concentration of defects are qualitatively controlled using an inductive coupled plasma treatment method, as evidenced by enhanced h‐BN defect emission and more efficient optically induced doping of graphene at the graphene/h‐BN interface. Besides, the use of the h‐BN layer between graphene and WS2 not only suppresses charge carriers in the dark state, but also promotes the separation of photo‐generated electron‐hole pairs and interfacial charge transfer due to the existence of defect levels, leading to orders of magnitude improvement in the light on/off ratio and self‐driving performance of the heterostructure photodetector. This strategy of controlling defect states in the insulating layer provides a new approach to optimize the charge transfer processes at the 2D interfaces, so as to expand its potential applications in the fields of electronic and optoelectronic devices.
Unveiling the Nanomorphology of HfN thin Films by Ultrafast Reciprocal Space Mapping
Authors: Zeuschner Steffen Peer , Pudell Jan‐Etienne , Mattern Maximilian , Rössle Matthias , Herzog Marc , Baldi Andrea , Askes Sven H. C. , Bargheer Matias 
Published: June 2024

AbstractHafnium Nitride (HfN) is a promising and very robust alternative to gold for applications of nanoscale metals. Details of the nanomorphology related to variations in strain states and optical properties can be crucial for applications in nanophotonics and plasmon‐assisted chemistry. Ultrafast reciprocal space mapping (URSM) with hard X‐rays is used to unveil the nanomorphology of thin HfN films. Static high‐resolution X‐ray diffraction reveals a twofold composition of the thin films being separated into regions with identical lattice constant and similar out‐of‐plane but hugely different in‐plane coherence lengths. URSM upon femtosecond laser excitation reveals different transient strain dynamics for the two respective Bragg peak components. This unambiguously locates the longer in‐plane coherence length in the first 15 nm of the thin film adjacent to the substrate. The transient shift of the broad diffraction peak displays the strain dynamics of the entire film, implying that the near‐substrate region hosts nanocrystallites with small and large coherence length, whereas the upper part of the film grows in small columnar grains. The results illustrate that URSM is a suitable technique for non‐destructive and depth‐resolved investigations of the morphology of nanostructures.
Enhanced Precision Immunotherapy of Colorectal Cancer through Chemo‐Photothermal Nanoparticles via Endoplasmic Reticulum Stress Mediated Apoptotic Pathways
Authors: Wang Shanshan , Bi Zhiqiang , Lu Tianming , Qian Ruoning , Yu Jie , Zhang Qiang , Yang Hao , Lu Wenli , Guo Yuanyuan , Xin Xiaoqing , Bian Yong , Qi Ruogu 
Published: June 2024

AbstractColorectal cancer (CRC) stands out as one of the most prevalent gastrointestinal cancers. Current treatment strategies for CRC are significantly hindered by systemic toxicity and suboptimal therapeutic efficacy. This study aims to overcome these limitations by developing a robust tumor‐targeting chemo‐photothermal strategy, combining Bortezomib (BTZ) as a proteasome inhibitor, IR780 iodide as a near‐infrared dye, and Photothermal Therapy (PTT) agent, with hyaluronic acid (HA) serving as the shell for tumor targeting, denoted as HA/PB@IR780. The investigations reveal the impressive tumor‐targeting affinity of HA/PB@IR780, leading to a synergistic chemo‐photothermal therapeutic effect both in vitro and in vivo. Additionally, this material demonstrates the capability for drug release triggered by low pH conditions. Moreover, HA/PB@IR780 induced the generation of reactive oxygen species (ROS), triggered cells apoptosis via the PERK‐CHOP‐Bcl‐2 pathway, and induced Immunogenic Cell Death (ICD) in CT26 cells. Importantly, HA/PB@IR780 selectively targets tumor sites, mitigating systemic toxic side effects and significantly extending the survival of CT26 tumor‐bearing mice. In conclusion, this designed tumor‐targeting nanocarrier represents a promising and potentially effective platform for the precise treatment of CRC.
Data‐Driven Cycle Life Prediction of Lithium Metal‐Based Rechargeable Battery Based on Discharge/Charge Capacity and Relaxation Features
Authors: Si Qianli , Matsuda Shoichi , Yamaji Youhei , Momma Toshiyuki , Tateyama Yoshitaka 
Published: June 2024

AbstractAchieving precise estimates of battery cycle life is a formidable challenge due to the nonlinear nature of battery degradation. This study explores an approach using machine learning (ML) methods to predict the cycle life of lithium‐metal‐based rechargeable batteries with high mass loading LiNi0.8Mn0.1Co0.1O2 electrode, which exhibits more complicated and electrochemical profile during battery operating conditions than typically studied LiFePO₄/graphite based rechargeable batteries. Extracting diverse features from discharge, charge, and relaxation processes, the intricacies of cell behavior without relying on specific degradation mechanisms are navigated. The best‐performing ML model, after feature selection, achieves an R2 of 0.89, showcasing the application of ML in accurately forecasting cycle life. Feature importance analysis unveils the logarithm of the minimum value of discharge capacity difference between 100 and 10 cycle (Log(|min(ΔDQ 100–10(V))|)) as the most important feature. Despite the inherent challenges, this model demonstrates a remarkable 6.6% test error on unseen data, underscoring its robustness and potential for transformative advancements in battery management systems. This study contributes to the successful application of ML in the realm of cycle life prediction for lithium‐metal‐based rechargeable batteries with practically high energy density design.
Arginine‐Rich Cell‐Penetrating Peptides Induce Lipid Rearrangements for Their Active Translocation across Laterally Heterogeneous Membranes
Authors: Park Sujin , Kim Jinmin , Oh Seung Soo , Choi Siyoung Q. 
Published: June 2024

AbstractArginine‐rich cell‐penetrating peptides (CPPs) have emerged as valuable tools for the intracellular delivery of bioactive molecules, but their membrane perturbation during cell penetration is not fully understood. Here, nona‐arginine (R9)‐mediated membrane reorganization that facilitates the translocation of peptides across laterally heterogeneous membranes is directly visualized. The electrostatic binding of cationic R9 to anionic phosphatidylserine (PS)‐enriched domains on a freestanding lipid bilayer induces lateral lipid rearrangements; in particular, in real‐time it is observed that R9 fluidizes PS‐rich liquid‐ordered (Lo) domains into liquid‐disordered (Ld) domains, resulting in the membrane permeabilization. The experiments with giant unilamellar vesicles (GUVs) confirm the preferential translocation of R9 through Ld domains without pore formation, even when Lo domains are more negatively charged. Indeed, whenever R9 comes into contact with negatively charged Lo domains, it dissolves the Lo domains first, promoting translocation across phase‐separated membranes. Collectively, the findings imply that arginine‐rich CPPs modulate lateral membrane heterogeneity, including membrane fluidization, as one of the fundamental processes for their effective cell penetration across densely packed lipid bilayers.
Another face of RASA1: Report of familial germline variant in RASA1 with dysmorphic features
Authors: Hume Esteban , Cossio María‐Laura , Vargas Paula , Cubillos María Paz , Maccioni Andrea , Lay‐Son Guillermo 
Published: June 2024

AbstractRASopathies encompass a diverse set of disorders affecting genes that encode proteins within the RAS‐MAPK pathway. RASA1 mutations are the cause of an autosomal dominant disorder called capillary malformation‐arteriovenous malformation type 1 (CM‐AVM1). Unlike other RASopathies, facial dysmorphism has not been described in these patients. We phenotypically delineated a large family of individuals with multifocal fast‐flow capillary malformations, severe lymphatic anomalies of perinatal onset, and dysmorphic features not previously described. Sequencing studies were performed on probands and related family members, confirming the segregation of dysmorphic features in affected members of a novel heterozygous variant in RASA1 (NM_002890.3:c.2366G>A, p.(Arg789Gln)). In this work, we broaden the phenotypic spectrum of CM‐AVM type 1 and propose a new RASA1 variant as likely pathogenic.
Nasal endoscopy: What have we been missing?
Authors: McCoul Edward D. , Ganeshan Vinayak , Nguyen Thinh 
Published: June 2024

SummaryDespite the widespread adoption of nasal endoscopy (NE) in the evaluation of sinonasal disease, its diagnostic potential may still be underutilized. Developments in endoscopic technology have led to significant improvements in video quality and maneuverability. However, there is concern that NE continues to be used primarily for the identification of gross pathology, with relative neglect of more subtle findings such as surface features of inflammation and mucus. With fewer technical limitations to perceive these abnormalities, there is potential to greatly improve the diagnostic value of NE. The reader is herein asked to consider several important visual nuances encountered during NE, with the hope that this engenders an appreciation of the versatility of NE as a diagnostic tool.
Inpp5d haplodeficiency alleviates tau pathology in the PS19 mouse model of Tauopathy
Authors: Soni Disha M. , Lin Peter Bor‐Chian , Lee‐Gosselin Audrey , Lloyd Christopher D. , Mason Emily , Ingraham Cynthia M. , Perkins Abigail , Moutinho Miguel , Lamb Bruce T. , Chu Shaoyou , Oblak Adrian L. 
Published: June 2024

AbstractINTRODUCTIONA noncoding variant (rs35349669) within INPP5D, a lipid and protein phosphatase restricted to microglia in the brain, is linked to increased susceptibility to Alzheimer's disease (AD). While Inpp5d is well‐studied in amyloid pathology, its role in tau pathology remains unclear.METHODSPS19 Tauopathy mice were crossed with Inpp5d‐haplodeficient (Inpp5d+/−) mice to examine the impact of Inpp5d in tau pathology.RESULTSIncreased INPP5D expression correlated positively with phospho‐Tau AT8 in PS19 mice. Inpp5d haplodeficiency mitigated hyperphosphorylated tau levels (AT8, AT180, AT100, and PHF1) and motor deficits in PS19 mice. Transcriptomic analysis revealed an up‐regulation of genes associated with immune response and cell migration.DISCUSSIONOur findings define an association between INPP5D expression and tau pathology in PS19 mice. Alleviation in hyperphosphorylated tau, motor deficits, and transcriptomics changes in haplodeficient‐Inpp5d PS19 mice indicate that modulation in INPP5D expression may provide therapeutic potential for mitigating tau pathology and improving motor deficits.Highlights
The impact of Inpp5d in the context of tau pathology was studied in the PS19 mouse model.
INPP5D expression is associated with tau pathology.
Reduced Inpp5d expression in PS19 mice improved motor functions and decreased total and phospho‐Tau levels.
Inpp5d haplodeficiency in PS19 mice modulates gene expression patterns linked to immune response and cell migration.
These data suggest that inhibition of Inpp5d may be a therapeutic approach in tauopathies.
Supramolecular Polymer Frameworks with Controlled and Uniform Pore Apertures
Authors: Gao Run‐Tan , Li Shi‐Yi , Zong Yang , Chen Zheng , Liu Na , Wu Zong‐Quan 
Published: June 2024

AbstractPorous frameworks with controlled pore structure and tunable aperture are greatly demanded. However, precise synthesis of this kind of materials is a formidable challenge. Herein, we report the fabrication of two‐dimensional (2D) supramolecular polymer frameworks using a precisely synthesized rod‐like helical polyisocyanide as link. Four three‐arm star‐shaped polyisocyanides with the degree of the polymerization of 10, 20, 30 and 40, and having 2‐ureido‐4[1H]‐pyrimidinone (UPy) terminals were synthesized. 2D‐Crystalline polymer frameworks with apertures of 5.3, 10.1, 13.9, and 19.1 nm were respectively obtained through intermolecular hydrogen bonding interaction between the terminal Upy units. The pore aperture is dependent on the length of polyisocyanide backbone. Thus, well‐defined supramolecular polymer frameworks with controlled and uniform hexagonal pores were obtained, as proved by small‐angle X‐ray scattering (synchrotron radiation facility), atomic force microscopy, and Brunauer–Emmett–Teller analyses. The frameworks with uniform large pore aperture were used to purify nanomaterials and immobilize biomacromolecules. For instance, the membranes of the polymer frameworks could size‐fractionation of silver nanoparticles into uniform nanoparticles with very low dispersity. The frameworks with large aperture facilitated the inclusion of myoglobin and enhanced the stability and catalytic activity.
Dithieno[3,2‐b; 2′,3′‐f]phosphepinium‐Based Near‐Infrared Fluorophores: px–π* Conjugation Inherent to Seven‐Membered Phosphacycles
Authors: Andoh Keita , Murai Masahito , Bouit Pierre‐Antoine , Hissler Muriel , Yamaguchi Shigehiro 
Published: June 2024

AbstractPositively charged phosphorus‐containing heterocycles are characteristic core skeletons for functional molecules. While various phosphonium‐containing five‐ or six‐membered‐ring compounds have been reported, the seven‐membered‐ring phosphepinium have not been fully studied yet. In this study, dithieno[3,2‐b; 2′,3′‐f]phosphepinium ions containing electron‐donating aminophenyl groups were synthesized. An X‐ray crystallographic analysis of the resulting donor–acceptor–donor dyes revealed a bent conformation of the central seven‐membered ring. These compounds exhibit fluorescence in the near‐infrared region with a bathochromic shift of ca. 70 nm compared to a phosphepine oxide congener and a large Stokes shift. High fluorescence quantum yields were obtained even in polar solvents due to the suppression of the nonradiative decay process. A theoretical study revealed that the phosphepinium skeleton is highly electron‐accepting owing to the orbital interaction between a px orbital of the phosphonium moiety and a π* orbital of the 1,3,5‐hexatriene moiety. Due to the lower‐lying px orbital in the phosphonium moiety compared to that of the phosphine oxide and the bent conformation of the seven‐membered ring, the phosphepinium ring permits effective px–π* conjugation. A large structural relaxation with a contribution of a quinoidal resonance structure is suggested in the excited state, which should be responsible for the bright emission with a large Stokes shift.
Tetrazole and Oxadiazole Derivatives as Thermally Activated Delayed Fluorescence Emitters
Authors: Leonhardt Céline , Mauri Anna , Garin Idoia , Rosemann Nils W. , Wenzel Wolfgang , Lemmer Uli , Kozlowska Mariana , Bräse Stefan 
Published: June 2024

AbstractOrganic light‐emitting diodes (OLEDs) are promising lighting solutions for sustainability and energy efficiency. Incorporating thermally activated delayed fluorescence (TADF) molecules enables OLEDs to achieve internal quantum efficiency (IQE), in principle, up to 100 %; therefore, new classes of promising TADF emitters and modifications of existing ones are sought after. This study explores the TADF emission properties of six designed TADF emitters, examining their photophysical responses using experimental and theoretical methods. The design strategy involves creating six distinct types of a donor‐acceptor (D−A) system, where tert‐butylcarbazoles are used as donors, while the acceptor component incorporates three different functional groups: nitrile, tetrazole and oxadiazole, with varying electron‐withdrawing character. Additionally, the donor‐acceptor distance is adjusted using a phenylene spacer, and its influence on TADF functionality is examined. The clear dependency of an additional spacer, inhibiting TADF, could be revealed. Emitters with a direct donor‐acceptor connection are demonstrated to exhibit TADF moderate emissive behavior. The analysis emphasizes the impact of charge transfer, singlet‐triplet energy gaps (ΔEST), and other microscopic parameters on photophysical rates, permitting TADF. Among the emitters, TCz‐CN shows optimal performance as a blue‐green emitter with an 88 % photoluminescence quantum yield (PLQY) and fast rate of reversible intersystem crossing of 2×106 s−1 and 1×107 s−1, obtained from time‐resolved photoluminescence (TRPL) experiment in PMMA matrix and quantum mechanical calculations, respectively. This comprehensive exploration identifies molecular bases of superior TADF emitters and provides insights for future designs, advancing the optimization of TADF properties in OLEDs.
Experimental methods in chemical engineering: Monte Carlo
Authors: Pahija Ergys , Hwangbo Soonho , Saulnier‐Bellemare Thomas , Patience Gregory S. 
Published: June 2024

AbstractMonte Carlo (MC) methods employ a statistical approach to evaluate complex mathematical models that lack analytical solutions and assess their uncertainties. To this end, techniques such as Markov chain Monte Carlo (MCMC), bootstrap, and sequential MC methods repeat the same operations over a specified range of conditions. Consequently, both the frequentist and Bayesian statistical approaches are computationally intensive, depending on the problem formulation. Improving sampling techniques and identifying sources of error reduce the computational demand but do not guarantee that the solution reaches the global optimum. Moreover, efficient algorithms and advances in hardware continue to decrease computation time. MC methods are applicable to a plethora of problems ranging from medicine to computational chemistry, economics, and industrial safety, making them integral to the ongoing industrial digitalization by evaluating the quality of applied models. In chemical engineering, MC simulations are used in four clusters of research: design, systems, and optimization; molecular simulation, including CO2 and carbon capture; adsorption and molecular dynamics; and thermodynamics. There is limited cross‐referencing between the design cluster and the other three, which presents an interesting area for future research. This mini‐review presents two applications within chemical engineering: emissions and energy forecasting.
Introducing a novel method for determining the effective thermal conductivity at moderate and high Péclet numbers
Authors: Ghasemi Shahab , Arocha Geragg Chourio , Fayazi Amir , Kantzas Apostolos 
Published: June 2024

AbstractFlow and heat transfer in porous materials is a common topic throughout many fields, including environmental and petroleum engineering. Using a coupled approach of experimental and simulation methods, this study presents a novel method for calculating thermal conductivity. Specifically, a new approach for the measurement of thermal dispersivity with both conduction and forced convection drives is proposed. In our experiments, temperature was monitored at different points within the porous medium, providing detailed spatial temperature distributions. These measurements allowed us to calculate and report effective thermal conductivity, enhancing the accuracy of our model. Experiments with various injection rates and temperatures were conducted on a sand pack. There is a relationship between the composition and connectivity of the solid in the geometry and heat transfer. However, in the case of forced convection, the key factor is the Péclet number which is important for optimal extraction of the heat inside the geothermal reservoir according to the cooling rate. When the Péclet number is high, the permeability of the porous medium plays a significant role. The velocity of the fluid can change the effective thermal conductivity up to four orders of magnitude. Due to the thermal resistance of solid and fluid, the temperature gradient between the boundary and the centre of the geometry was seen and temperature peaks were observed in the initial stages of the experiments. The size and number of peaks at the initial stage of the experiments are highly dependent on the matrix properties, such as thermal conductivity and surface area.
Impact of Aging and Cellular Senescence in the Pathophysiology of Preeclampsia
Authors: Suvakov Sonja , Kattah Andrea G. , Gojkovic Tamara , Enninga Elizabeth A.L. , Pruett Jacob , Jayachandran Muthuvel , Sousa Ciria , Santos Janelle , Abou Hassan Coline , Gonzales‐Suarez Maria , Garovic Vesna D. 
Published: June 2024

AbstractThe incidence of hypertensive disorders of pregnancy is increasing, which may be due to several factors, including an increased age at pregnancy and more comorbid health conditions during reproductive years. Preeclampsia, the most severe hypertensive disorder of pregnancy, has been associated with an increased risk of future disease, including cardiovascular and kidney diseases. Cellular senescence, the process of cell cycle arrest in response to many physiologic and maladaptive stimuli, may play an important role in the pathogenesis of preeclampsia and provide a mechanistic link to future disease. In this article, we will discuss the pathophysiology of preeclampsia, the many mechanisms of cellular senescence, evidence for the involvement of senescence in the development of preeclampsia, as well as evidence that cellular senescence may link preeclampsia to the risk of future disease. Lastly, we will explore how a better understanding of the role of cellular senescence in preeclampsia may lead to therapeutic trials. © 2023 American Physiological Society.Compr Physiol13:5077‐5114, 2023.
A double‐edged sword: Interim CEO and corporate social (ir)responsibility activities
Authors: Zheng Weiwei , Lian Yanling , Cui Xue , Sun Han 
Published: June 2024

AbstractEmploying an interim CEO is one of the key strategies organizations use to address urgent changes in leadership, yet there is a notable lack of attention in existing corporate governance literature regarding their impact on non‐market strategic behaviors. In an effort to bridge this gap, our study integrates institutional theory with impression management literature. Based on unbalanced panel data from Chinese non‐state‐owned listed companies from 2010 to 2019, the study finds that the succession of an interim CEO is associated with a simultaneous reduction in both corporate social responsibility (CSR) and corporate social irresponsibility (CSI) activities. The negative relationship between interim CEO and CSI activities is weaken in the context of high institutional voids. Mechanism analysis reveals that interim CEOs tend to focus more on the present and allocate more attention toward external stakeholder management strategies and low‐cost and efficiency strategies. Additional analysis indicates that in the face of negative financial performance aspirations, interim CEOs are more likely to reduce CSR activities. Similarly, when confronted with negative social performance aspirations, interim CEOs tend to decrease CSI activities to a greater extent.