bluuebunny/crossref_metadata_2025_split huggingface dataset:
Targeting Lysosomal Thiols for Immunogenic Cancer Cell Death
Authors: Arkhypov Anton , Klemt Insa , Bila Galyna , Attia Dina , Chernii Svitlana , Bilyy Rostyslav , Mokhir Andriy 
Published: November 2024

AbstractThe number and stability of lysosomes (LYs) are different in cancer and healthy cells that makes them a possible target for cancer specific therapy. However, no LY‐targeting drug is clinically approved yet. We describe in this paper a new therapeutic approach based on alkylation of lysosomal thiols in cancer cells by reversible thiol binder 11. The treatment with 11 increases the level of lysosomal reactive oxygen species leading to their destabilization, disruption and immunogenic cancer cell death. These effects are not observed in healthy cells. In murine sarcoma Nemeth‐Kellner (NK)/Ly‐RB model, 11 exhibits the spectacular therapeutic effect: it extends the lifespan of the treated mice from 21 to 85 days and cures 40 % of mice. The survived mice develop antibodies against tumor NK/Ly‐RB cells. Their repeated challenge with the NK/Ly‐RB cells results in 100 % mice survival compared to 0 % survival in the control group of naïve mice. Ex vivo data indicate that neutrophils in spleen of the cured animals are also involved in targeting cancer cells and produce neutrophil extracellular traps. In summary, 11 induces the direct antitumor effect supported by humoral immune responses, as well as priming neutrophil's reaction against tumors.
Spiro‐Carbon‐Locking and Sulfur‐Embedding Strategy for Constructing Deep‐Red Organic Electroluminescent Emitter with High Efficiency
Authors: Pu Yexuan , Cai Xinliang , Qu Yupei , Cui Weibo , Li Linjie , Li Chenglong , Zhang Yuewei , Wang Yue 
Published: November 2024

AbstractThe discovery of multiple resonance thermally activated delayed fluorescence (MR‐TADF) materials with remarkable narrowband emission has opened a new avenue for the development of organic light‐emitting diodes (OLEDs) with high color purity. However, the lack of construction strategies for purely red MR‐TADF materials significantly impedes their application in full‐color high‐definition displays. Herein, we propose a unique and handy approach of spiro‐carbon‐locking and sulfur‐embedding strategy to modify the parent MR‐TADF framework, resulting in a red MR‐TADF emitter with high color purity. The reported MR‐TADF molecule (namely, FSBN) demonstrates a pure red emission with an emission maximum of 621 nm in toluene solution. The OLED with FSBN as emitter exhibits Commission Internationale de l’Éclairage (CIE) coordinates of (0.67, 0.33), which exactly matches the red standard defined by the National Television Standards Committee (NTSC). Importantly, the single‐host OLED achieves a high power efficiency (PE) of up to 50.1 lm W−1, suggesting the potential for the development of low power consumption red OLEDs.
Anion Modulation: Enabling Highly Conductive Stable Polymer Electrolytes for Solid‐State Li‐Metal Batteries
Authors: Zhao Liyi , Dong Qingyu , Wang Yueqi , Xue Guoyong , Wang Xuechun , Li Zhiyun , Shao Hui , Chen Hongwei , Shen Yanbin , Chen Liwei 
Published: November 2024

AbstractSolid polymer electrolytes (SPEs) are promising ionic conductors for developing high‐specific‐energy solid‐state lithium metal batteries. However, developing SPEs with both high ionic conductivity and interfacial compatibility remains a challenge. Here, we propose a design concept of an anion‐modulated polymer electrolyte (termed AMPE) for high‐voltage Li metal batteries. Specifically, we design the AMPE by incorporating high‐voltage‐resistant and high charge density units with an anion receptor unit. The high‐voltage‐resistant and high charge density segments contribute to achieving a decent voltage tolerance of the polymer chains and ensure sufficient carrier ions. The anion receptor, represented by a boron‐containing molecule, promotes the generation of free Li+ by dissociating anion‐cation pairs. More importantly, the strong interaction between the electron‐deficient B and the TFSI− in the matrix promotes the anion reduction to form a stable anion‐derived mosaic‐like solid electrolyte interphase on the Li‐metal anode. As a result, the AMPE exhibits a high ionic conductivity of 3.80×10−4 S cm−1 and effectively suppresses lithium dendrites, enabling an all‐solid‐state Li|AMPE|LiCoO2 cell to achieve a cycle life of 700 cycles at an operating voltage of 4.40 V. This design concept would inspire efforts to develop high‐performance SPEs for high‐specific‐energy solid‐state lithium metal batteries.
Electrostatic Confinement‐Induced Excited Charge Transfer in Ionic Covalent Organic Framework Promoting CO2 Reduction
Authors: Yu Mingfei , Chen Wei , Lin Qingqing , Li Liuyi , Liu Zheyuan , Bi Jinhong , Yu Yan 
Published: November 2024

AbstractWe demonstrate an electrostatic confinement‐induced charge transfer pathway in a supramolecular photocatalyst comprising of an ionic covalent organic framework (COF) and cationic metal complexes. The dynamic electrostatic interactions not only attract cations around the COF to accept photogenerated electrons, but also allow for a retention of homogeneous catalytic characters of complexes, making a subtle balance. Accordingly, the electrostatic confinement effect facilitates the forward electron transfer from a photoexcited COF to cationic Co complex, realizing a remarkable photocatalytic CO2 reduction performance. Its catalytic efficiency is far superior to the supramolecular counterparts with Van‐der‐Waals or hydrogen bonding interactions. This work presents an insight for enhancing charge transfer in supramolecular systems, and provides an effective approach for construction of highly efficient photocatalysts.
Enhanced microwave absorption of sandwich panels with magnetized carbon fiber corrugated array reinforced PMI foam core
Authors: Zhang Zhuqing , Wu Haihong , Jiang Lin , Zhang Juntao , Li Jiquan , Geng Tie 
Published: November 2024

AbstractIntegrating periodic array structures made of metal wires or conductive inks into the foam core of electromagnetic (EM) wave absorbing sandwich panels can significantly improve broadband absorption performance. However, the complex fabrication process and poor corrosion resistance of these materials limit their practical applications. This work innovatively introduces magnetized carbon fiber (CF) into PMI foam, simultaneously achieving broadband absorption and lightweight characteristics of the sandwich structure through the design of array structure and fiber bundle geometry. Simulation analysis compared the EM absorption performance of sandwich panels with carbonyl iron powder (CIP)/CF tape and helical twisted CIP/CF rope corrugated arrays, determining the optimal array structure parameters, which were then experimentally validated. The experimental results align with the simulations, showing that CIP/CF rope corrugated arrays with an amplitude of 10 mm, a cycle length of 15 mm, and an array spacing of 15 mm provide optimal absorption performance, with a reflection loss below −10 dB across the 9–18 GHz frequency range and a maximum absorption of −33.9 dB at 17 GHz. Finally, the absorption mechanism of these sandwich structures is discussed, highlighting how the synergistic effects between the electromagnetic properties and structural morphology of CIP/CF enhance the absorption performance of the EM absorbing sandwich panel.
Metabolism of Furanocoumarins by Three Recombinant CYP9A Proteins From the Polyphagous Cotton Bollworm Helicoverpa armigera
Authors: Tian Kai , Zhu Jiang , Qiu Xinghui 
Published: November 2024

ABSTRACTFuranocoumarins are a class of chemical compounds with phototoxic properties. For herbivores, efficient detoxification of such defense compounds is the prerequisite to feed successfully on furanocoumarin‐containing plants. The cotton bollworm Helicoverpa armigera is a very important polyphagous pest in agriculture, but how it copes with toxic furanocoumarins in some of its host plants is not well understood. Given that cytochrome P450s are well known for their capacity in xenobiotic metabolism, this study attempted to explore the potential roles of cytochrome P450s in furanocoumarin transformation in this pest. Our data showed that two linear structures (psoralen and xanthotoxin) could be metabolized by three recombinant CYP9A enzymes, but no detectable depletion was observed for the linear one with the 8‐dimethylallyloxy substituent on the coumarin moiety (imperatorin) and the angular furanocoumarin (angelicin). Initial epoxidation of the double bond connecting C2' and C3' of the furano ring following by cleavage of the epoxidated furan ring, leading to the formation of more soluble, less reactive and nonphotosensitizing metabolites, was identified as a common mechanism of linear furanocoumarin metabolism using a quadrupole/time‐of‐flight (Q‐TOF) mass spectrometry interfaced with a high performance liquid chromatography (HPLC) system. Our data demonstrated that multiple P450s were involved in the detoxification of linear furanocoumarins in the cotton bollworm. These findings contribute to a better understanding of the biochemical basis of adaptation to plant defense chemicals in this economically important pest.
Cu‐UiO‐66 Catalyzed Synthesis of Imines via Acceptorless Dehydrogenative Coupling of Alcohols and Amines
Authors: Wu Yujuan , Zhu Qiulin , Xu Hongyang , Yang Jiawei , Wang Yongfei , Wang Cuiping , Hu Zhizhi , Zhang Zhiqiang 
Published: November 2024

AbstractHerein, the Cu‐UiO‐66 catalyst was developed for acceptorless dehydrogenative coupling (ADC) between alcohols and amines to produce imines. The Cu‐UiO‐66 catalyst was synthesized by installing Cu2+ onto Zr‐oxo clusters in UiO‐66, and the catalyst efficiently catalyzes the ADC reaction under mild and environmentally friendly conditions with excellent selectivity. Mechanistic studies reveal that the O2⋅− radicals and porosity of formed in Cu‐UiO‐66 participate cooperatively during the catalytic cycle. Meanwhile, the only by‐product of the system is environmentally benign water. Cycling tests and hot filtration tests showed that the Cu‐UiO‐66 catalyst exhibited excellent stability and catalytic activity during the reaction. Importantly, the Cu‐UiO‐66 catalyst might provide a promising strategy for the ADC reaction between alcohols and amines to produce imines.
PIDA as an Iodinating Reagent: Visible‐Light‐Induced Iodination of Pyrazolo[1,5‐a]pyrimidines and Other Heteroarenes
Authors: Paul Suvam , Das Sourav , Choudhuri Tathagata , Sikdar Papiya , Bagdi Avik Kumar 
Published: November 2024

AbstractWe have developed a visible‐light‐mediated convenient and efficient strategy for the iodination of heteroarenes using diacetoxyiodobenzene (PIDA) under photocatalyst‐free conditions. This unique approach is the first report on photocatalytic C−H iodination employing PIDA as the iodinating agent. The new photocatalyst‐free strategy is applicable to a wide range of pyrazolo[1,5‐a]pyrimidine derivatives with various functionalities. Iodination of other electron‐rich heterocycles like imidazo[1,2‐a]pyridine, imidazo[1,2‐a]pyrimidine, imidazo[2,1‐b]thiazole, benzo[d]imidazo[2,1‐b]thiazole, and pyrazoles has been accomplished employing this benign protocol. The usefulness of 3‐iodo pyrazolo[1,5‐a]pyrimidine as a synthetic intermediate in synthesizing various functionalized pyrazolo[1,5‐a]pyrimidines has been demonstrated.
Construction of lysosome‐related prognostic signature to predict the survival outcomes and selecting suitable drugs for patients with HNSCC
Authors: Cao Bing , Gu Shanshan , Shen Zhisen , Zhang Yuna , Shen Yiming 
Published: November 2024

AbstractLysosomes are digestive organelles responsible for endocytosis and autophagy. Recently, the malignancy and invasiveness head and neck squamous cell carcinoma (HNSCC) has been increasingly studied with the role of lysosomes. A list of lysosome‐related genes were obtained from MSigDB. A Spearman correlation and univariate Cox regression analyses combined with differential expression analysis were conducted to detect differentially expressed lysosome‐related genes related to prognosis. The prediction of prognostic signature was evaluated by plotting survival curve, ROC, and by developing a nomogram. Immune subtypes, infiltration of immune cells, GSVA, TIDE, IC50 of common chemotherapy and targeted therapy, GO, and KEGG function enrichment analyses were carried out to explore the immune microenvironment of the signature. We constructed a lysosome‐related prognostic signature that could function as an independent prognostic indicator for patients with HNSCC. High‐risk patients were better suited to receive Doxorubicin, Mitomycin C, Pyrimethamine, anti‐PD‐L1 and anti‐CTLA‐4 immunotherapy, whereas low‐risk patients had sensitivity to Lapatinib. GO functional enrichment analysis showed that prognostic features were strongly associated with epidermis‐related functions (e.g., epidermal cell differentiation, epidermal development, and keratinization). In addition, a KEGG function enrichment analysis revealed a potential relationship between the risk assessment model and cardiomyopathy. We constructed a prognostic signature based on lysosome‐related genes and successfully predicted the survival outcome of HNSCC patients, which not only provides potential guidance for personalized treatment but also provides a new idea for precision treatment of HNSCC.
Navigating the immune landscape with plasma cells: A pan‐cancer signature for precision immunotherapy
Authors: Ye Bicheng , Jiang Aimin , Liang Feng , Wang Changcheng , Liang Xiaoqing , Zhang Pengpeng 
Published: November 2024

AbstractImmunotherapy has revolutionized cancer treatment; however, predicting patient response remains a significant challenge. Our study identified a novel plasma cell signature, Plasma cell.Sig, through a pan‐cancer single‐cell RNA sequencing analysis, which predicts patient outcomes to immunotherapy with remarkable accuracy. The signature was developed using rigorous machine learning algorithms and validated across multiple cohorts, demonstrating superior predictive power with an area under the curve (AUC) exceeding 0.7. Notably, the low‐risk group, as classified by Plasma cell.Sig, exhibited enriched immune cell infiltration and heightened tumor immunogenicity, indicating an enhanced responsiveness to immunotherapy. Conversely, the high‐risk group showed reduced immune activity and potential mechanisms of immune evasion. These findings not only enhance understanding of the intrinsic and extrinsic immune landscapes within the tumor microenvironment but also pave the way for more precise, biomarker‐guided immunotherapy approaches in oncology.
VTSIM: Attention‐Based Recurrent Neural Network for Intersection Vehicle Trajectory Simulation
Authors: Liu Jingyao , Mao Tianlu , Wang Zhaoqi 
Published: November 2024

ABSTRACTSimulating vehicle trajectories at intersections is one of the challenging tasks in traffic simulation. Existing methods are often ineffective due to the complexity and diversity of lane topologies at intersections, as well as the numerous interactions affecting vehicle motion. To address this issue, we propose a deep learning based vehicle trajectory simulation method. First, we employ a vectorized representation to uniformly extract features from traffic elements such as pedestrians, vehicles, and lanes. By fusing all factors that influence vehicle motion, this representation makes our method suitable for a variety of intersections. Second, we propose a deep learning model, which has an attention network to dynamically extract features from the surrounding environment of the vehicles. To address the issue of vehicles continuously entering and exiting the simulation scene, we employ an asynchronous recurrent neural network for the extraction of temporal features. Comparative evaluations against existing rule‐based and deep learning‐based methods demonstrate our model's superior simulation accuracy. Furthermore, experimental validation on public datasets demonstrates that our model can simulate vehicle trajectories among the urban intersections with different topologies including those not present in the training dataset.
Synthesis and Evaluation of 3,5‐Disubstituted‐1,2,4‐Oxadiazolyl Benzamides as Potential Anti‐Breast Cancer Agents: In Vitro and In Silico Studies
Authors: Asad Mohammad , Karim Shahid , Sanobar  , Faheem Khan Mohammad , Ahmad Ansari Waseem , Al Said Youssef , Imran Khan Mohammad , Saquib Mohammad , Kamil Hussain Mohd 
Published: November 2024

AbstractHerein, the synthesis, anti‐cancer evaluation, and in silico studies of a series of 1,2,4‐oxadiazole compounds (8‐15) are disclosed. The synthesized molecules were tested in vitro for anti‐cancer activity against MCF‐7, MDA‐MB‐231, HeLa, Ishikawa cell lines and human embryonic kidney (HEK‐293) cell lines. Among the synthesized compounds, 9 and 15 exhibited significant cytotoxicity, with IC50 values of 7.82 μM and 6.02 μM, respectively, against MCF‐7 cell line, better than that of anti‐breast cancer drug, tamoxifen (IC50=11.92 μM), used as control. Significantly, both 9 and 15 exhibited very low toxicity (IC50>20 μM) against normal HEK‐293 cells. This suggests them as potentially effective anti‐cancer lead molecules. The in vitro anti‐cancer data was supported by in silico studies which also identified compounds 9 and 15 as potent inhibitors of the 17β‐hydroxysteroid dehydrogenase1 (17β‐HSD1) proteins, demonstrating strong interactions and stability The atom‐based QSAR model exhibited high accuracy, significant regression, and predictive reliability, aiding in understanding and optimizing biological activity. The drug‐likeness study of compounds 9 and 15 indicated favorable pharmacokinetics, with in silico toxicity predictions showing compound 15 to be non‐toxic. These findings suggest compounds 9 and 15 as potential lead molecules against breast cancer.
Novel postzygotic RASA1 mutation in a patient with Parkes Weber syndrome: A case report and literature review
Authors: Pilz Robin A. , Skowronek Dariush , Ehresmann Tamara , Felbor Ute , Rath Matthias 
Published: November 2024

Key Clinical MessageNot only germline but also postzygotic mutations in the RASA1 or EPHB4 genes can lead to capillary malformation‐arteriovenous malformation (CM‐AVM) syndrome. As it is not always possible to clinically distinguish between constitutional variants and postzygotic mosaicism, a sufficiently high sequencing depth must be used in genetic diagnostics to detect both.AbstractCapillary malformation‐arteriovenous malformation (CM‐AVM) syndrome, with or without Parkes Weber syndrome, is a rare autosomal dominant disease caused by pathogenic RASA1 or EPHB4 variants. Up to 80% of CM‐AVM cases have an affected parent. Gene panel sequencing was performed for a 4‐year‐old girl with multiple CMs, two capillary stains on the left leg, and associated overgrowth of the second toe. We also reviewed published cases with mosaic RASA1 and EPHB4 mutations. A mosaic RASA1 loss‐of‐function mutation was detected with a variant allele frequency (VAF) of 20% in the blood and oral epithelial cells of the index patient. The literature review illustrates that the severity of the clinical phenotype does not correlate with the VAF. We also identified a germline nonsense variant in the patient's TEK gene. However, inactivating TEK variants do not cause a vascular phenotype but can confer an increased risk for primary congenital glaucoma with variable expressivity. The case presented here illustrates that the choice of the sequencing depth of a diagnostic next‐generation sequencing test for CM‐AVM patients should always take mosaicism into account and that a good knowledge of the sequenced genes and associated disease mechanisms is necessary for adequate genetic counseling.
Wave speed mapping visualizes the cavotricuspid isthmus reconnection area: A case report
Authors: Mase Hiroshi , Mori Hiroyoshi , Onuki Tatsuya , Sugiyama Hiroto , Omura Ayumi , Asano Taku , Suzuki Hiroshi 
Published: November 2024

Key Clinical MessageIn addition to the reentrant map, the wave speed map can be helpful in accurately identifying the CTI gap during radiofrequency application for atrial flutter(AFL). However, in complex cases involving extensive scarring and multiple low‐velocity local areas, this technique may not be useful.AbstractA 73‐year‐old male patient with a history of pulmonary vein isolation and cavotricuspid isthmus ablation underwent a second catheter ablation owing to recurrent atrial flutter (AFL). The AFL was diagnosed as cavotricuspid isthmus‐dependent AFL caused by the reconnection of the previous cavotricuspid isthmus ablation. Wave speed mapping was performed at the same site, and results comprehensively revealed a low‐velocity local area. The AFL was terminated after the first radiofrequency application, and the block line was easily completed. Therefore, this technique could be an adjunctive tool for cavotricuspid isthmus gap identification and minimal radiofrequency application.
Chronic bronchiectasis and celiac disease: An uncommon association and the importance of a comprehensive diagnostic approach
Authors: Ohanian Paul , Khodeir Joe , Ohanian Marielena 
Published: November 2024

Key Clinical MessageIn unexplained bronchiectasis, particularly with concurrent gastrointestinal symptoms or evidence of malabsorption, consider celiac disease as a potential underlying condition. Early diagnosis and a multidisciplinary approach integrating both respiratory and gastrointestinal management can significantly enhance patient outcomes.
Unveiling the enigmatic connection: Belly dancer's dyskinesia as an unusual manifestation of normal pressure hydrocephalus: A case report
Authors: Thatal Sunil , Karki Susmin , Parajuli Asmita , Bhandari Sweta , Regmi Sagar Mani , Sah Navin Kumar 
Published: November 2024

Key Clinical MessageNormal pressure hydrocephalus is rarely associated with Belly dancer's dyskinesia and seizure.AbstractBelly dancer's dyskinesia (BDD) is characterized by bilateral, sluggish, involuntary, repetitive, and rhythmic motions of the anterior abdominal wall. We present a rare case of a 78‐year‐old man diagnosed with normal pressure hydrocephalus associated with BDD and seizure who presented with left‐sided weakness of the body and abnormal body movements.
Cu‐Based Catalysts for the One‐Pot Condensation–Hydrogenation of Cyclopentanone to Produce Valuable SAF Precursors
Authors: Schiaroli Nicola , Scaglione Lorenzo , Mandioni Riccardo , Foschi Francesca , Recchia Sandro , Lucarelli Carlo 
Published: November 2024

AbstractA process combining aldol condensation and hydrogenation of bio‐based cyclopentanone (CPO) in a one‐pot reaction is proposed. Cu‐based bifunctional catalysts obtained from hydrotalcite‐type precursors were found highly active in mild reaction conditions (i.e., 130–170 °C), producing valuable bicyclic (C10) and tricyclic (C15) aliphatic alcohols/ketones with interesting application as sustainable aviation fuel (SAF) precursors with enhanced properties. The presence of surficial strong basic sites active in aldol condensation, together with the formation of highly dispersed copper nanoparticles able to catalyze C═C and C═O hydrogenation (TOF of 0.06–0.16 s−1), assured high catalytic efficiency and fine control of the products nature and distribution. From the optimization of both catalysts formulation and reaction conditions it was found that, properly tuning the Cu content, it is possible to drive products distribution towards the production of bicyclic (C10) aliphatic alcohol with high selectivity (75% at total CPO conversion, when Cu = 10 wt %, at 170 °C, 1.0 MPa of H2) and short reaction time (4 h). The optimized catalyst formulation showed impressive stability over multiple reaction/regeneration cycles, demonstrating the high potential of the proposed catalytic process for future applications in sustainable biofuels production.