bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enhanced UV Light Responsivity in <110>‐Oriented 2D Perovskites Realized by Pressure‐Induced Ultrafast Exciton Transport
Authors: Yin Yanfeng , Yan Xianchang , Luo Hui , Liang Yongfu , Xu Peng , Wang Yiming , Jin Shengye , Tian Wenming 
Published: October 2024

AbstractTwo‐dimensional (2D) <100>‐oriented perovskites exhibit superior optoelectronic properties, offering significant potential in photovoltaic, light‐emitting, and photodetection applications. Nevertheless, their enlarged interlayer spacing restricts longitudinal carrier transport, thereby limiting its potential applications. While <110>‐oriented 2D perovskites provide a prospective solution with their compact interlayer spacing, their inherent structure, characterized by octahedra tilting, indirectly hinders carrier transport due to the generation of self‐trapped excitons (STEs) caused by strong electron‐phonon coupling. Here, we adeptly regulate the photoluminescence (PL) from STEs to free excitons (FEs) emission within the 2D <110>‐oriented (API)PbBr4 single crystal through structure optimization under pressure treatment. Besides, we observed anisotropic FE transport with an anisotropy ratio of 4.97. The exciton mobility reaches a peak of 93.6 cm2 V−1 s−1 at 2.7 GPa, a value comparable to those of their three‐dimensional (3D) counterparts, which is attributed to a reduction in electron‐phonon coupling and exciton reduced mass. Additionally, this ultrafast exciton transport significantly enhances UV light responsivity, exhibiting an increase of approximately 5000 times at 2.7 GPa in comparison to ambient conditions. These findings highlight the prospective application of 2D <110>‐oriented perovskites in high‐performance optoelectronic devices through intrinsic structural modulation.
An Axially CBD‐Containing Novel Pt(IV) Prodrug Designed to Synergistically Enhance Antitumor Activity by Inducing Mitochondrial Dysfunction
Authors: Wang Ling , Lu Zhiping , Shi Pengmin , Peng Yusheng , Yang Jing , Liao Xiali , Yang Bo , Gao Chuanzhu 
Published: October 2024

ABSTRACTIn recent years, significant attention has been given to the strategy of linking novel active molecules with different biological targets and antitumor mechanisms to the axial positions of Pt(IV) complexes, aiming to synthesize new Pt(IV) antitumor complexes with excellent properties. In this study, Satraplatin analogs and the highly lipophilic bioactive molecule cannabidiol (CBD) were chosen as the main research subjects. By combining these two and introducing other bioactive small molecules, we aimed to enrich the functionalities of Pt(IV) antitumor complexes. Five new multifunctional Pt(IV) antitumor complexes, P1–P5, were prepared. All Pt(IV) prodrugs demonstrated antitumor effects in various tumor cell lines. Notably, compound P1 exhibited significant inhibitory effects, with half‐maximal inhibitory concentration (IC50) values that were 2.1, 1.5, and 1.3 times higher than those of satraplatin in HCT‐116, A549, and HeLa cell lines, respectively, and 2.4, 1.5, and 2.0 times higher than those of the combination of satraplatin and CBD. The cytotoxicity of P1 toward cancer cell lines is significantly higher than that of the combination therapy group, providing preliminary evidence that the strategy of combining CBD and platinum‐based antitumor drugs into a complex is highly effective in simultaneously enhancing the cytotoxicity of both, resulting in a good synergistic antitumor effect. Further research shows that after treating cells with P1, the induced ROS generation increases in a dose‐dependent manner, disrupting the cell's redox homeostasis, leading to oxidative stress, and ultimately causing cell apoptosis. This strategy of introducing the bioactive molecule CBD into platinum‐based drug formation complexes to improve efficacy has been shown to be feasible and deserves further study.
Evolution from micropinned to polymeric alloy structure of XLPE‐PS: Improving electrical properties and mechanism
Authors: Ahmed Muneeb , Zhong Lisheng , Li Fei , Sui Rui , Wu Ming , Gao Jinghui 
Published: October 2024

AbstractThis research investigates the transition from a micropinned to a polymeric alloy structure in crosslinked‐polyethylene‐polystyrene (XLPE‐PS). Incorporating 2 wt% 10 μm PS particles into low‐density polyethylene (LDPE) and crosslinking with 2 wt% dicumyl peroxide (DCP) forms XLPE‐PS structures. The polymeric alloy structure, formed at 220°C extrusion, contrasts with the micropinned formed at 150°C. Morphological, thermo‐structural, chemical, and crystal properties are examined to understand their impact on electrical properties and charge transport mechanisms. Results indicate that the polymeric alloy effectively resolves void/crack issues, whereas the micropinned exhibits phase separation. Both structures exhibit a benzene‐crosslinked network, and variations in these structures lead to significant changes in thermo‐structural, chemical, and crystalline properties. The polymeric alloy XLPE‐PS shifts the polyethylene (PE) hkl crystal planes, confirming phase shift and optimal alloying. The structural alterations reveal deeper traps and higher densities in the polymeric alloy XLPE‐PS, leading to significantly improved electrical properties, including reduced DC conductivity by up to 1.3 and 0.7 decades at 30 and 90°C, and increased DC breakdown strength by up to 40.34% and 16.17% at 30 and 90°C, respectively, compared with micropinned XLPE‐PS. This research offers insights into stable high‐voltage insulation development.
Preparation of a polyurethane‐coated expandable graphite and its flame retardant application in rigid polyurethane foams
Authors: Qiao Xiaozhuang , Zhang Penghai , Guo Lei , Li Guiying , Han Ling , Wang Lei , Liu Junshen , Gao Xuezhen 
Published: October 2024

AbstractExpandable graphite (EG) is widely used in rigid polyurethane (PU) foam (RPUF) as flame retardant, however, the mechanical properties of RPUF would deteriorate with the increase of its content. To alleviate this problem, PU‐coated EG (PUEG) is prepared by coating PU on the surface of EG via interface polymerization. PUEG is characterized by FTIR, XPS, and SEM. The results show that PUEG is successfully prepared. Compared with the RPUF add with the pure EG, the compressive strength and flame retardancy of the RPUF prepared by adding 15% PUEG have been improved to varying degrees. A 15% PUEG and 20% PUEG modify RPUFs obtained both UL‐94 V‐0 rating with LOI values of 29.7% and 31.2%, respectively. The improvement in the flame retardancy and compressive strength of RPUF is due to the good interfacial compatibility between the RPUF and PU on the surface of the EG and the increased coking rate of the EG, which accelerates the formation of the thermal barrier carbon layer. The preparation process of PUEG is simple and suitable for large‐scale production.
Carrier Dynamics in Quantum Dot Light‐Emitting Diodes: The Conversion between Electrons, Excitons, and Photons
Authors: Su Qiang , Zhang Heng , Chen Shuming 
Published: October 2024

AbstractElectrically driven self‐emissive quantum dot light‐emitting diodes (QLEDs) offer the advantages of high contrast, high color saturation and simple solution processability, making them the ultimate target for commercialization of QD‐based displays. Challenges remain, such as the lack of a comprehensive understanding of device mechanisms, the poor performance of blue Cd‐based and Cd‐free devices, and the immature of color patterning processes, which are far from the requirements of practical applications. The study of carrier dynamics is a crucial part of understanding the physical mechanisms of devices and improving their performance. Therefore, this review summarizes and discusses the related researches on the conversion process between electrons, excitons and photons in QLEDs. First, an overview of the electron‐photon conversion process is given to elucidate the underlying principles of QLEDs. Then, the two sub‐processes involved, the exciton formation process and the photon formation process, are discussed. Next, the most commonly used characterization tools for the study of carrier dynamics are presented. Finally, the opportunities and challenges associated with QLED research on carrier dynamics are summarized and outlined.
A Strong Dysregulated Myeloid Component in the Epigenetic Landscape of Systemic Sclerosis: An Integrated DNA Methylome and Transcriptome Analysis
Authors: Martínez‐López Javier , Ortiz‐Fernandez Lourdes , Estupiñán‐Moreno Elkyn , Kerick Martin , Andrés‐León Eduardo , Terron‐Camero Laura C. , Carnero‐Montoro Elena , Barturen Guillermo , Beretta Lorenzo , Almeida Isabel ,   PRECISESADS Clinical Consortium, Alarcón‐Riquelme Marta E. , Ballestar Esteban , Acosta‐Herrera Marialbert , Martín Javier 
Published: October 2024

ObjectiveNongenetic factors influence systemic sclerosis (SSc) pathogenesis, underscoring epigenetics as a relevant contributor to the disease. We aimed to unravel DNA methylation abnormalities associated with SSc through an epigenome‐wide association study.MethodsWe analyzed DNA methylation data from whole‐blood samples in 179 patients with SSc and 241 unaffected individuals to identify differentially methylated positions (DMPs) with a false discovery rate (FDR) <0.05. These results were further integrated with RNA sequencing data from the same patients to assess their functional consequence. Additionally, we examined the impact of DNA methylation changes on transcription factors and analyzed the relationship between alterations of the methylation and gene expression profile and serum proteins levels.ResultsThis analysis yielded 525 DMPs enriched in immune‐related pathways, with leukocyte cell–cell adhesion being the most significant (FDR = 4.91 × 10−9), prioritizing integrins as they were exposed by integrating methylome and transcriptome data. Furthermore, through this integrative approach, we observed an enrichment of neutrophil‐related pathways, highlighting this myeloid cell type as a relevant contributor in SSc pathogenesis. In addition, we uncovered novel profibrotic and proinflammatory mechanisms involved in the disease. Finally, the altered epigenetic and transcriptomic signature revealed an increased activity of CCAAT/enhancer‐binding protein transcription factor family in SSc, which is crucial in the myeloid lineage development.ConclusionOur findings uncover the impaired epigenetic regulation of the disease and its impact on gene expression, identifying new molecules for potential clinical applications and improving our understanding of SSc pathogenesis.image
Integration patterns in the use of metadata for data sense‐making during relevance evaluation: An interpretable deep learning‐based prediction
Authors: Li Qiao , Wang Ping , Liu Chunfeng , Li Xueyi , Hou Jingrui 
Published: October 2024

AbstractIntegrating diverse cues from metadata to make sense of retrieved data during relevance evaluation is a crucial yet challenging task for data searchers. However, this integrative task remains underexplored, impeding the development of effective strategies to address metadata's shortcomings in supporting this task. To address this issue, this study proposes the “Integrative Use of Metadata for Data Sense‐Making” (IUM‐DSM) model. This model provides an initial framework for understanding the integrative tasks performed by data searchers, focusing on their integration patterns and associated challenges. Experimental data were analyzed using an interpretable deep learning‐based prediction approach to validate this model. The findings offer preliminary support for the model, revealing that data searchers engage in integrative tasks to utilize metadata effectively for data sense‐making during relevance evaluation. They construct coherent mental representations of retrieved data by integrating systematic and heuristic cues from metadata through two distinct patterns: within‐category integration and across‐category integration. This study identifies key challenges: within‐category integration entails comparing, classifying, and connecting systematic or heuristic cues, while across‐category integration necessitates considerable effort to integrate cues from both categories. To support these integrative tasks, this study proposes strategies for mitigating these challenges by optimizing metadata layouts and developing intelligent data retrieval systems.
Landmarking for Left‐Truncated Competing Risk Data
Authors: Unseld Theresa , Bluhmki Tobias , Beyersmann Jan , Beck Evelin , Padberg Stephanie , Stegherr Regina 
Published: October 2024

ABSTRACTLandmarking is an alternative to complex multistate models when the aim is to calculate dynamic predictions. We develop the concept of landmarking for the case of left truncation and competing risks from the application background of drug safety assessment in pregnancy. The method is illustrated with a cohort study of the German Embryotox Pharmacovigilance Institute in Berlin to assess if the risk or the cumulative incidence of adverse pregnancy outcomes, like spontaneous abortions (SABs), is increased in fluoroquinolone‐exposed women. Furthermore, we conduct an extensive simulation study to compare the dynamic predictions and coefficient estimates obtained by landmarking to those from nonparametric multistate models and classical time‐dependent covariate Cox regression. The results from the simulation study indicate that attenuation of the effects is present in the landmark estimates, also in the complex setting considered here, but the estimates are still close to those from the multistate models. Regarding the Berlin fluoroquinolone data, the fluoroquinolone exposure of a pregnant woman in the first trimester seems to increase her cumulative incidence of elective termination of pregnancy over women never exposed before, but there is no evidence of a significantly increased risk or cumulative incidence in exposed women for SABs. This supports previous results on the same data, which were driven from an analysis without landmarking methods.
The Theory of Dyadic Morality and Moral Identity Explain the Public's Response to Harm Done by Government and Organisations
Authors: Bagozzi Richard P. , Xie Chunyan , Mari Silvia , Oklevik Ove 
Published: October 2024

ABSTRACTHarm functions complexly in moral judgement but has been treated differently in the Social Intuitionist Model (SIM) and the Theory of Dyadic Morality (TDM). Both the SIM and TDM see felt harm as an outcome of experienced negative moral emotions (e.g., disgust), but the SIM regards harm as a kind of epiphenomenon in the sense that it does not affect moral judgement or behaviour, whereas the TDM interprets harm as an essential mediator of the link between negative moral emotions and immorality. The TDM also develops an explanation for how harm functions to initiate reactions to triggering events marked by an intentional agent causing injury to a vulnerable social actor. Here norms serve a regulatory function modulating the effects of harm committed by the agent on negative moral emotions. We conduct two experiments on representative samples of adults () and address two different moral contexts (companies doing badly and government doing badly with respect to a threatened health crisis), two different normative moderators (moral identity and belief in conspiracies) and two different moral action tendencies (intentions and word of mouth). Harm is found to have direct and contingent mediated effects on moral action tendencies, in accord with the TDM. Please refer to the Supplementary Material section to find this article's Community and Social Impact Statement.
Potential MAO‐B Inhibitors from Cissampelos Capensis L.f.: ADMET, Molecular Docking, Dynamics, and DFT Insights
Authors: Al‐Thiabat Mohammad G. , Agrawal Mohit , Kumar Sahu Kantrol , Alhawarri Maram B. , Banisalman Katreen , Al Jabal Ghazi A. , Saleh Elqaderi Haya 
Published: October 2024

AbstractThis study explores the therapeutic potential of three proaporphine alkaloids–cissamaline, cissamanine, and cissamdine, which were recently isolated from Cissampelos capensis L.f., against Parkinson's disease (PD). Using computational techniques, we investigated their efficacy as inhibitors of a key protein in PD. ADMET analysis demonstrated that these alkaloids conform to the Lipinski, Pfizer, Golden Triangle, and GSK rules, indicating favorable safety, oral bioavailability, and a high probability of passing the human intestinal and blood‐brain barriers. They were neither substrates nor inhibitors of any CYP enzymes tested, indicating minimal metabolic interference and an enhanced safety profile. Molecular docking studies revealed binding energies of −9.05 kcal/mol (cissamaline), −9.95 kcal/mol (cissamanine), and −10.65 kcal/mol (cissamdine) against MAO−B, a critical PD target, surpassing the control (zonisamide, −6.96 kcal/mol). The molecular interaction analyses were also promising, with interactions comparable to the control. Molecular dynamics (MD) simulations confirmed stable protein‐ligand interactions, with root‐mean‐square deviation (RMSD) values ranging from 1.03 Å to 3.92 Å, root‐mean‐square fluctuation (RMSF) values remaining below 1.14 Å, and radius of gyration (RGyr) values between 20.20 Å and 20.50 Å, indicating compact structures. Hydrogen bonding analysis revealed maximum hydrogen bond counts of 6 (cissamanine), 5 (cissamaline), and 4 (cissamdine), demonstrating robust interactions with MAO−B. Density Functional Theory (DFT) calculations revealed the highest electrophilicity (ω =0.151), highest electron affinity (EA =0.075), and smallest HOMO‐LUMO gap (ΔE =0.130) for cissamanine, indicating enhanced reactivity. These results advocate for further in vitro and in vivo studies to evaluate the compounds’ potential as PD therapeutics.
The mystery of the hidden gallbladder: Navigating the unseen
Authors: Shakeeb Momin , Riyaz Romana , Khan Sajjad Ahmed , Fatima Khadija , Fatima Husna 
Published: October 2024

Key Clinical MessageThis case underscores the importance of advanced imaging techniques in diagnosing complex biliary anomalies. Accurate Magnetic Resonance Cholangiopancreatography and ultrasound evaluations can distinguish between choledochal cysts and duplicate gallbladders, guiding effective surgical intervention and improving patient outcomes.
Rheumatoid arthritis presenting by combined pulmonary fibrosis and emphysema with clubbing and pulmonary hypertension: A rare case report
Authors: Basiri Reza , Davoodian Javad , Baniasad Amir 
Published: October 2024

Key Clinical MessageA 60‐year‐old male smoker came with dyspnea. A rare condition known as combined pulmonary fibrosis and emphysema (CPFE) was observed on a chest CT scan. Decreased DLCO in combination with normal FVC can help diagnose CPFE. Concomitant connective tissue diseases, including rheumatoid arthritis, should be checked in CPFE patients.
Applying a systemic approach for better outcomes
Authors: Lutter Sonya 
Published: October 2024

AbstractThis paper demonstrates the added value of utilizing a systemic approach to financial planning, which includes understanding how individuals make financial decisions and how these decisions are influenced by their experiences and the broader systems in which they exist. Systems theory is too broad of a topic to cover in one paper. The scope of this paper is to describe the key systems' concepts of interconnectedness, the whole is greater than the sum of its parts, homeostasis, and differentiation of self that have direct applications to financial planning. A case study illustrates how these concepts and tools, such as the genogram and shifting the conversation from content to process, can be utilized in financial planning. Through therapeutic communication (e.g., listening actively and recognizing the hidden cues in a client's communication), financial planners can uncover and address systemic issues impacting the financial planning process. Financial planners will learn key concepts of systems theory, gain tools for how to incorporate systems' concepts into practice, and be prepared to take an active role in the next evolution of financial planning.
JAK Inhibitor Upadacitinib Induces Remission in Refractory Immune‐Related Colitis Triggered by CTLA‐4 and PD‐1 Inhibitor Combination Therapy in Malignant Pleural Mesothelioma: A Case Report
Authors: Kono Masashi , Komeda Yoriaki , Kawakami Hisato , Hagiwara Satoru , Tribonias George , Handa Kohei , Omoto Shunsuke , Takenaka Mamoru , Kashida Hiroshi , Tsuji Naoko , Kudo Masatoshi 
Published: October 2024

ABSTRACTBackgroundImmune checkpoint inhibitors have demonstrated efficacy against various cancers; however, there is a rising incidence of immune‐related colitis. Some cases of immune‐related colitis prove resistant to treatment, even with the administration of glucocorticoids or infliximab, and there is currently no established standard treatment for such cases.CaseThe patient, a 73‐year‐old male, had undergone combination therapy for malignant pleural mesothelioma for 2 years, utilizing both ipilimumab (a CTLA‐4 inhibitor) and nivolumab (a PD‐1 inhibitor). Unfortunately, the treatment led to side effects, specifically immune‐related adverse event (irAE) enterocolitis. Steroid and infliximab treatment failed to improve the patient's condition. Treatment with tacrolimus was attempted, but the patient remained unresponsive. Subsequently, 45 mg of upadacitinib, a Janus kinase (JAK) inhibitor, was administered. Symptoms improved rapidly following upadacitinib administration, and endoscopy also revealed positive results. With the increasing incidence of immune‐related colitis, some patients have become resistant to treatment with glucocorticoids and infliximab. In this case, the irAE enterocolitis was improved by upadacitinib administration.ConclusionIn cases where immune‐related colitis proves resistant to treatment with glucocorticoids, infliximab, or tacrolimus, upadacitinib represents a potential option as a JAK inhibitor.
Computational Assessment of Clinical Drugs against SARS‐CoV‐2: Foreseeing Molecular Mechanisms and Potent Mpro Inhibitors
Authors: Panda Saroj Kumar , Pani Pratyush , Sen Gupta Parth Sarthi , Mahanandia Nimai , Kumar Rana Malay 
Published: October 2024

AbstractThe emergence of new SARS‐CoV‐2 variants of concern (VOC) is a propulsion for accelerated potential therapeutic discovery. SARS‐CoV‐2’s main protease (Mpro), essential for host cell viral replication, is a pre‐eminent druggable protein target. Here, we perform extensive drug re‐profiling of the comprehensive Excelra database, which compiles various under‐trial drug candidates for COVID‐19 treatment. For mechanistic understanding, the most promising screened‐out molecules with targets are subjected to molecular dynamics (MD) simulations. Post‐MD analyses demonstrate Darunavir, Ponatinib, and Tomivosertib forming a stable complex with Mpro, characterized by less fluctuation of Cα atoms, smooth and stable root‐mean‐square deviation (RMSD), and robust contact with the active site residues. Likewise, they all have lower binding free energy with Mpro, demonstrating strong affinity. In free energy landscape profiles, the distances from His41 and Cys145 exhibit a single energy minima basin, implying their preponderance in proximity to Mpro's catalytic dyad. Overall, the computational assessment earmarks promising candidates from the Excelra database, emphasizing on carrying out exhaustive biochemical experiments along with clinical trials. The work lays the foundation for potential therapeutic interventions in treating COVID‐19.