bluuebunny/crossref_metadata_2025 huggingface dataset:
Oxygen Defect Site Filling Strategy Induced Moderate Enrichment of Reactants for Efficient Electrocatalytic Biomass Upgrading
Authors: Cheng Baixue , Zhan Haoyu , Lu Yankun , Xing Danning , Lv Xingshuai , Frauenheim Thomas , Zhou Peng , Wang Shuangyin , Zou Yuqin
Published: November 2024

The electrocatalytic oxidation of 5‐hydroxymethylfurfural (HMF) provides a feasible approach for the efficient utilization of biomass. Defect regulation is an effective strategy in the field of biomass upgrading to enhance the adsorption capacity of reactants and thus increase the activity. However, how to select appropriate strategies to regulate the over‐enrichment of reactants induced by excessive oxygen vacancy is still a huge challenge. In this work, the defect‐filling strategy to design and construct an element‐filled oxygen vacancy site layered double hydroxide (S─Ov─LDH) is adopted, which achieves a significant reduction in the electrolysis potential of biomass platform molecule HMF oxidation reaction and a significant increase in current density. Physical characterizations, electrochemical measurements, and theoretical calculations prove that the formation of metal─S bond in the second shell effectively regulates the electronic structure of the material, thus weakening the over‐strong adsorption of HMF and OH− induced by excessive oxygen vacancy, promoting the formation of high‐valence Co3+ during the reaction, and forming new adsorption sites. This work discusses the catalytic enhancement mechanism of defect filling in detail, fills the gap of defect filling in the field of biomass upgrading, and provides favorable guidance for the further development of defect regulation strategies.
Halogenated Polycyclic Aromatic Hydrocarbon for Hole Selective Layer/Perovskite Interface Modification and Passivation for Efficient Perovskite‐Organic Tandem Solar Cells with Record Fill Factor
Authors: Mahmud Md Arafat , Zheng Jianghui , Chang Jia‐Fu , Wang Guoliang , Liao Chwenhaw , Rahman Md Habibur , Tarique Walia Binte , Tang Shi , Bing Jueming , Bailey Christopher G. , Li Zhuofeng , Yang Limei , Novikova Nina , Leung Tik Lun , Chen Hongjun , Yi Jianpeng , Tao Runmin , Jankovec Marko , Bremner Stephen P. , Cairney Julie , Uddin Ashraf , Nguyen Hieu T. , Smith Trevor , Chueh Chu‐Chen , Ho‐Baillie Anita W. Y.
Published: November 2024

Perovskite whentandemed with organic photovoltaics (OPV) for double‐junctions have efficiencypotentials over 40%. However, there is still room for improvement suchas better current matching, higher fill factor, as well as lower voltage and fill factor losses in the top perovskite cell. Here weaddress the issue associated with the top perovskite cell by utilising anovel halogenated polycyclic aromatic hydrocarbon compound, 1‐naphthylammoniumchloride (NA─Cl) playing dual roles of surface modification for the hole selectivelayer (HSL) and passivation of HSL/perovskiteinterface. Results of X‐ray photoelectron spectroscopy and density functionaltheory calculations reveal that NA─Cl retains self‐assembly property for the HSLwhile demonstrating high dipole moment and polarizability. This induces asurface dipole at the HSL/perovskite interface reducing the energetic barrierfor hole extraction by 210 meV thereby enhancing voltage output and fill factorof the device. Such scheme when implemented in a high bandgap (1.78 eV)perovskite solar cell, results in a respectable efficiency of 19.7% and thehighest fill factor of 85.4% amongst those of 1.78 eV perovskite cells reported.We have also achieved 23% cell efficient monolithic perovskite‐OPV tandem withan impressive fill factor of 84%, which is the highest for perovskite‐OPVtandem cells reported to‐date.
Photoclick and Release for Spatiotemporally Localized Theranostics of Single Cells via In Situ Generation of 1,3‐Diaryl‐1H‐benzo[f]indazole‐4,9‐dione
Authors: Li Bao‐Lin , Li Sitong , Zhang Cefei , Zhou Yuqiao , Zhao Xiaohu , Yu Zhipeng
Published: November 2024

Bioorthogonal click‐release chemistry is a cutting‐edge tool for exploring and manipulating biomolecule functions in native biological systems. However, it is challenging to achieve the precise regulation or therapy of individual cells via click‐release strategies driven by proximity and thermodynamics. Herein, we propose a novel photoclick‐release approach based on a photo‐induced cycloaddition between 4,4′‐bis(N‐arylsydnone) or C‐bithienyl‐diarylsydnone and 2‐arylamino‐naphthoquinone via irradiation with 405 or 485 nm light. It constructs 1,3‐diaryl‐1H‐benzo[f]indazole‐4,9‐dione (BIZON) as a pharmacophore while releases an arylamine for fluorescence turn‐on probing. Both photoclick reagents were tailored by connecting to the triphenyl phosphonium delivery motif for enrichment in the mitochondria of live cells. This enables an intracellular photoclick and release under the control of 405 or 485 nm light. We then discovered that the in situ photo‐generated BIZON is capable of photosensitizing upon 485 or 520 nm light to produce singlet oxygen inside the mitochondria under aerobic conditions. Therefore, we realized wash‐free fluorescence tracking and subsequent anti‐cancer efficacy at single‐cell resolution using global illumination, which provides a foundation for wavelength‐gated single‐cell theranostics.
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

The 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

The 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

Solid 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

We 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

Integrating 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

Furanocoumarins 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

Herein, 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

We 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

Lysosomes 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

Immunotherapy 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

Simulating 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

Herein, 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.
Child and adolescent behavioral health in the juvenile legal system: Inside the walls and beyond
Authors: Ogbaa Adanne , Keating Evyn , Lowenhaupt Elizabeth
Published: November 2024

Jason, a 15‐year‐old adolescent, was recently adjudicated and placed at the Rhode Island Training School (RITS), the state's only secure carceral facility for detained and adjudicated youth. Like many of the youth entering the facility, Jason arrived at the RITS with a complex history of trauma, substance use, and behavioral issues. As a child, his father was incarcerated and his mother struggled with substance use, leaving Jason without a consistent caregiver. His early life was marked by frequent moves between foster homes, unstable housing, and exposure to violence. This instability in his childhood led to feelings of anger and frustration, which often manifested in school through defiant behavior, truancy, and eventually, physical altercations that led to his involvement with the juvenile legal system.
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 Message

Not 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.

Capillary 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 Message

In 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.

A 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 Message

In 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 Message

Normal pressure hydrocephalus is rarely associated with Belly dancer's dyskinesia and seizure.

Belly 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

A 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.
Borenium Ion Equivalents Stabilized by BICAAC and Their Implementation as Catalysts in Hydrosilylation of Carbonyls
Authors: Adhikari Manu , Kumar Thakur Sandeep , Singh Sanjay
Published: November 2024

Hydride abstraction from the borane adduct, (BICAAC) ⋅ BH3 afforded the hydride bridged dinuclear borenium ion equivalent complexes 1 and 2 that have been characterized by various spectroscopic and spectrometric techniques followed by the assessment of Lewis acidity using the Gutmann‐Beckett method. The single crystal X‐ray structure of complex 2 revealed the presence of discrete ions in the solid state. The complex (BICAAC) ⋅ BH2(OTf) (3), obtained from the reaction of (BICAAC) ⋅ BH3 with MeOTf, formed the corresponding boronium cations [(BICAAC) ⋅ BH2(L)]+(OTf)− on reaction with Lewis bases (L= pyridine (4) and DMAP (5)). Complexes 1 and 2 demonstrated notable catalytic activity in the hydrosilylation of a diverse array of carbonyls using 1.0 mol % catalyst loading (achieving the highest turnover frequency (TOFmax) of up to 1200 h−1 with benzaldehyde. A broad substrate scope has been presented for aldehydes and ketones decorated with various electron‐donating and withdrawing substituents along with this the hydrosilylation of a few para‐quinone methides has also been presented.
Bottom‐Up Porous Graphene Synthesis and its Applications
Authors: Khatun Sahina , Samanta Siddhartha , Sahoo Satadal , Mukherjee Ishita , Maity Sanhita , Pradhan Anirban
Published: November 2024

Incorporation of regular order pores/holes/defects into semimetalic graphene sheets can tune the band gap up to 1 eV or more introducing semiconducting property and therefore exhibiting promising applications for organic electronics such as field‐effect transistors (FETs), molecular sieve membranes, gas sensing, catalysis devices, etc. In this mini review, we focused on bottom‐up approaches to introduce periodic homogeneous pores into graphene and nanographene and graphene nanoribbons along with their characteristics and potential applications in various fields.
Vom Austausch unter Experten profitieren
Authors: Manning Vivien
Published: November 2024

Im Fokus des 15. Jahrestreffens der Betriebsingenieure und Betriebsingenieurinnen der VDI‐Gesellschaft Verfahrenstechnik und Chemieingenieurwesen (VDI‐GVC) stehen die Themen Digitalisierung und KI sowie Cybersicherheit. Mit ihren Kompetenzen leisten sie entscheidende Beiträge, Anlagen höchst effizient zu betreiben und Prozesse optimal zu fahren. Die Veranstaltung am 29. November bietet die Möglichkeit zum direkten und persönlichen Austausch mit Experten.
Über den Tellerrand hinaus
Authors: Gandert Etwina
Published: November 2024

Am 4. und 5. September organisierte die Interessengemeinschaft Regelwerke Technik (IGR) e.V. den Erfahrungsaustausch für Experten der Mess‐ und Regeltechnik in der Prozessindustrie. Zum ersten Mal war die Veranstaltung für die Öffentlichkeit, also auch Nicht‐Mitglieder, geöffnet. Der Expertentreff ist in der chemisch‐pharmazeutischen Industrie fest etabliert. Wichtige Themen waren neue regulatorische Anforderungen, Test‐ und Prüfmethoden, der internationale Wettbewerbsdruck und die Dekarbonisierung.
Vom Reißbrett in die Cloud
Authors: Zapounidis Awraam
Published: November 2024

Neben Flexibilität und Echtzeit‐Einblicken wird Nachhaltigkeit zur zentralen Anforderung für die Anlagenplanung und den Anlagenbetrieb in der Chemieindustrie. Unternehmen wie Eastman Chemical setzen daher auf datenorientierte Ansätze und digitale Zwillinge, die eine effiziente Zusammenarbeit und vorausschauende Wartung ermöglichen. Mit cloudbasierten Lösungen wie Seiga können weltweit verteilte Teams in Echtzeit auf Planungsdaten zugreifen. Dies verkürzt Projektlaufzeiten, reduziert Kosten und kann entscheidende Wettbewerbsvorteile bieten.
Fokus auf das Fundament
Authors: Schreiner Catrin
Published: November 2024

Trotz Herausforderungen investieren Chemieunternehmen in effiziente und nachhaltige Produktionsstätten. Bedienbühnen und Konstruktionen spielen eine zentrale Rolle, da sie Flexibilität und Sicherheit für reibungslose Abläufe bieten. Unternehmen wie Müller & Sohn setzen auf präzise, digitale Planungen und langlebige Materialien wie Stahl und Edelstahl, um den hohen Qualitätsstandards der Chemieindustrie für Bedienbühnen gerecht zu werden. Mit moderner Technik und CAD‐Software entsteht so ein effizienter, digital unterstützter Produktionsprozess der Bühnenkonstruktionen.
Effizienter Anlagenbau mit KI
Authors: Miller Jana
Published: November 2024

Automatisierter Strukturentwurf mit KI: Hyundai Engineering optimiert den Anlagenbau durch intelligente Planung und automatisierte Entwürfe, die den Zeitaufwand reduzieren und die Effizienz steigern. Mithilfe von KI und maschinellem Lernen lassen sich Entwurfsänderungen nahtlos umsetzen, Daten präzise in 3D‐Modelle integrieren und Kosten senken – ein bedeutender Fortschritt für die Zukunft von Industrieprojekten.
Structurally Diverse Limonoids from Trichilia connaroides and Their Antitumor Activities
Authors: Yan Ying , Wang Dan , Zhou Fang‐Jiao , Zhao Yu‐Han , Qin Xu‐Jie , Zhang Yu , Ding Xiao , Hao Xiao‐Jiang
Published: November 2024

Comprehensive Summary

Twelve new limonoids (1—12), named trichilitins A—L, were isolated from the leaves and twigs of Trichilia connaroides, together with ten known compounds (13—22). The structures were elucidated by extensive spectroscopic investigations, X‐ray diffraction analyses, and ECD calculations. Compound 1, which belongs to a unique class of ring B‐seco limonoid, has been identified as 6/7/6/5 tetracyclic due to a key Baeyer‐Villiger oxidation. Compounds 2—7 were identified as ring intact limonoids, while compounds 8—10 were established as ring D‐seco ones, and 11 and 12 were determined to be rearranged ones. All of the compounds were tested for cytotoxicity against three human tumor cell lines (HCT‐116, NCl‐H1975, and SH‐SY5Y). Compounds 6, 7, 13, 14, and 19 exhibited significant cytotoxic effects, especially 7 exhibited significant cytotoxic effects against HCT‐116 with an IC50 value of 0.035 μmol·L–1 and was more active than the positive control, doxorubicin with an IC50 value of 0.20 μmol·L–1. Compound 7 effectively induced apoptosis of HCT‐116, which was associated with S‐phase cell cycle arrest. Furthermore, the Western blot analysis showed that compound 7 could induce cell cycle arrest by promoting the expression levels of p53 and p21.
Does Fusobacterium in Colorectal Cancer Sites Originate From the Oral Cavity? A Pilot Study
Authors: Plomp Niels , Bertl Kristina , Lydrup Marie‐Louise , Sjöberg Klas , Harmsen Hermie J. M. , Stavropoulos Andreas
Published: November 2024

Objectives

Fusobacterium can contribute to oral diseases, but also pose as a systemic risk factor. This genus, and especially F. nucleatum, can be found in colorectal cancer (CRC) tissue and is involved in multiple aspects of this type of cancer. Previous studies indicated a possible oral origin of these bacteria; however, stronger evidence is needed to reach a definitive conclusion. This pilot study aimed to establish a method to successfully compare, at the strain level, fusobacteria from the oral cavity and CRC resection material for future cohort studies of CRC patients.

Material and Methods

In a first cohort of eight periodontitis patients, gingival crevicular fluid and saliva were collected. Fusobacterium was isolated on two different media. In a second cohort, saliva and CRC resection material were collected from ten CRC patients. These samples were used for screening of Fusobacterium with culturing, 16S rRNA gene profiling and a PCR‐based approach.

Results

In the first cohort, different Fusobacterium species were identified in GCF and saliva samples. However, as the total yield of Fusobacterium seemed slightly higher in saliva samples, it was therefore preferred for subsequent sample collection. Thus, in the second cohort, patient‐matched saliva and CRC resection material were screened for Fusobacterium and this showed that nine patients were culture‐positive in the saliva samples; however, no Fusobacterium could be isolated from the resection material. On the other hand, 16S rRNA gene profiling of the resection material indicated that eight CRC patients were positive for Fusobacterium. All eight of these patients carried Fusobacterium in their saliva, indicated by both marker gene PCR and culture‐based screening.

Conclusions

These pilot results are compatible with data from previous studies, indicating a possible link between oral and CRC‐associated Fusobacterium, and a more in‐depth analysis of specific strains and their characteristics in a larger cohort is justified.

Trial Registration

The protocol was registered at clinicaltrials.gov (NCT05945082).
Bibliometric Analysis of the 100 Most‐Cited Articles on the Methods of Shade‐Matching in Dentistry
Authors: Rashid Farah , Dudley James
Published: November 2024

Objectives

The purpose of this bibliometric analysis is to identify the 100 most cited articles and delve into citation metrics to gain insights into the evolving trends in shade‐matching methods in dentistry.

Material and Methods

Following PRISMA guidelines, two reviewers conducted a structured search in Scopus using keyword‐based search strings. The top 100 articles were selected based on predefined criteria, and their bibliometric data were extracted. Harzing's Publish Or Perish and VOSviewer were used to generate the bibliographic network.

Results

Between 1989 and 2017, the top 100 articles were published and obtained citations ranging from 560 to 48. Twenty‐eight articles received over 100 citations, deemed classic. The Journal of Prosthetic Dentistry and the United States of America were the primary contributors. In‐vitro experimental studies employing restorative material samples were prevalent, with spectrophotometers being the favored method of color analysis. Using Python, Spearman's correlation coefficient resealed positive correlations between citation count and age of publication (r = 0.16, p = 0.12) and between citation count and the impact factor of the journal (r = 0.35, p < 0.05). However, a negative correlation was observed between citation density and age of publication (r = −0.46, p < 0.05).

Conclusions

This study demonstrated a significant upward trajectory of citation count in shade‐matching in dentistry, reflecting high‐quality scientific contributions.
Mechanistic Insights on Coverage‐Dependent Selectivity Limitations in Vinyl Acetate Synthesis
Authors: Novotny Gregory L. , Deshlahra Prashant
Published: November 2024

Developing improved catalysts for sustainable chemical processes often involves understanding atomistic origins of catalytic activity, selectivity, and stability. Using density functional theory and steady‐state kinetic analyses, we probe the elementary steps that form decomposition products that limit selectivity in vinyl acetate (VA) synthesis on Pd surfaces covered with acetate species. Acetate formation and coupling with ethylene control the VA formation catalytic cycle and steady‐state coverage, but acetate and ethylene can separately decompose to form CO2. Both decompositions involve initial C−H activations at acetate vacancies, followed by additional C−H activations and eventual C−O formations and C−C cleavages involving reactions with molecular oxygen. Acetate decomposition paths with non‐oxidative kinetically‐relevant steps exhibit similar free energy barriers to oxidative paths. In contrast, the non‐oxidative ethylene path involving an ethylidyne intermediate exhibits a much lower barrier than paths with oxidative kinetically‐relevant steps. Ethylene decomposition is very facile at low coverages but is more coverage‐sensitive, leading to similar decomposition and VA formation barriers at coverages accessible at steady state, which is consistent with moderate VA selectivity in measurements and ethylene vs. acetate decomposition contributions assessed from regressed kinetic parameters. These insights provide a detailed framework for describing VA synthesis rates and selectivity on metallic catalyst surfaces.
Resource selection by a megaomnivore in a marine foraging habitat
Authors: Maurer Andrew S. , Eguchi Tomo , Lemons Garrett E. , LeRoux Robin A. , LaCasella Erin L. , Turner Tomaszewicz Calandra N. , Hanna Megan E. , Curran Jessica , Chesney Bryant , Madrak Sheila V. , Seminoff Jeffrey A.
Published: November 2024

Habitat‐based approaches to animal conservation are bolstered by an understanding of resource selection, that is, use of resources (i.e., habitat features) relative to their availability in the environment. Quantifying resource selection is especially valuable when data characterizing animal space use are limited, as is often the case with mobile and/or cryptic species. Documenting associations with habitat features can better inform management in space in time, while also revealing key insight into movement ecology and behavior. Here, we evaluate resource selection by a megaomnivore whose highly mobile nature within marine habitats has resulted in an incomplete understanding of drivers of space use. We used satellite telemetry to track 29 green turtles (Chelonia mydas) from an eastern Pacific foraging aggregation in San Diego Bay, California, USA during 2013–2023. Tracking produced 5023 Fastloc‐GPS points which we used to model selection for local environmental resources relative to their availability. We employed logistic models to evaluate associations with seagrass, bathymetry, and water temperatures, implementing a framework that additionally allowed us to explore the roles of season, diel period, and turtle body size. Our methods demonstrate an approach for down‐weighting observations according to assumed telemetry error and autocorrelation. Results from fine‐scale resource selection models provide evidence that green turtles in San Diego Bay select for eelgrass meadows (Zostera marina), particularly during the warmest months of the year, but the strength of this selection changes from day to night. We additionally found day–night shifts in depth and temperature selection that changed with turtle body size and season. We discuss these findings in the context of diel patterns in resting and foraging behavior in addition to seasonal changes in thermally sensitive metabolic rates. Our study documents resource associations and provides quantitative information for the management of sea turtle foraging populations and their habitats. We offer key insight into habitat use by green turtles in the eastern Pacific at a pivotal time when multiple indicators point to population growth and expansion within the region.
Genotypic variation in resource exchange, use, and production traits in the legume–rhizobia mutualism
Authors: Calvert McCall B. , Hoque Maliha , Wood Corlett W.
Published: November 2024

Mutualisms, reciprocally beneficial interactions between two or more species, are ubiquitous in nature. A common feature of mutualisms is extensive context‐dependent variation in fitness outcomes. This context‐dependency is hypothesized to stem from the environment's mediation of the relative costs and benefits associated with mutualisms. However, traits related to the exchange of goods and services in mutualisms have received little attention in comparison to net fitness outcomes. In this study, we quantified the contribution of host and symbiont genotypes to variation in resource exchange, use, and production traits measured in the host using the model mutualism between legumes and nitrogen‐fixing rhizobia. We predicted that plant genotype × rhizobia genotype (G × G) effects would be common to resource exchange traits because resource exchange is hypothesized to be governed by both interacting partners through bargaining. On the other hand, we predicted that plant genotype effects would dominate host resource use and production traits because these traits are only indirectly related to the exchange of resources. Consistent with our prediction for resource exchange traits, but not our prediction for resource use and production traits, we found that rhizobia genotype and G × G effects were the most common sources of variation in the traits that we measured. The results of this study complement the commonly observed phenomenon of G × G effects for fitness by showing that numerous mutualism traits also exhibit G × G variation. Furthermore, our results highlight the possibility that the exchange of resources as well as how partners use and produce traded resources can influence the evolution of mutualistic interactions. Our study lays the groundwork for future work to explore the relationship between resource exchange, use and production traits and fitness (i.e., selection) to test the competing hypotheses proposed to explain the maintenance of fitness variation in mutualisms.
Assessment of Changes in the Composition and Distribution of Large and Medium‐Sized Mammals in Xishuangbanna, Southwest China
Authors: Cao Hui , Quan Rui‐Chang , Bai Yang , He Ruchuan , Geng Ying , Liu Ying , Li Jiabin , Wang Lin
Published: November 2024

Given the vulnerability of large and medium‐sized mammal communities to climate change and human disturbances, understanding the spatial–temporal dynamics of these communities is essential for effective conservation planning. However, in many biodiversity hotspots, precise biological community assessments are insufficient. From 2012 to 2022, we deployed 784 camera traps in eight nature reserves (including sub‐reserves) and one State Forest Farm (SFF, less strictly protected than a reserve) to study the composition and distribution of large and medium‐sized mammals in tropical Xishuangbanna. The findings revealed the following: (1) Forty‐three species, encompassing six orders, 17 families, and 37 genera, were documented. Among the species in historical data, nine species were not detected in this survey. (2) Smaller and more fragmented reserves lacked larger body‐sized predators and herbivores, and most common species showed lower relative population abundance. Conversely, the SFF exhibited high mammal diversity. (3) The community composition of large and medium‐sized mammals varied significantly across the nine sites, particularly among threatened species. Our findings highlight the uneven distribution of these mammal communities in Xishuangbanna, with rare and large‐sized species facing increased vulnerability to rapid environmental changes. Moreover, the findings demonstrate the importance of considering species specificity and uniqueness in conservation planning for maintaining regional‐scale biodiversity.