bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ce3+/Ce4+–TiO2 Nano‐Octahedra as Active Photocatalysts for Ciprofloxacin Photodegradation Under Solar Light
Authors: Shani Baliana , Liccardo Letizia , Bordin Matteo , Martín Isabel Barroso , Infantes‐Molina Antonia , Rodríguez‐Castellón Enrique , Ibrahim Kassa Belay , Vomiero Alberto , Moretti Elisa 
Published: September 2024

AbstractCerium‐containing titania nano‐octahedra (CeTNOh) are obtained by ultrasonication‐hydrothermal synthesis of Ce‐containing titanate nanowires (0.35, 0.46, and 0.70 Ce mol %) from commercial TiO2 (Degussa P25). CeTNOh are tested as photocatalysts to degrade a target pollutant (ciprofloxacin) under simulated solar light and at mild conditions. CeTNOh are anatase polymorphs with increasing crystallite size as Ce content increases. Hydrothermal treatments enhance the specific surface area (SSA) compared to P25, although Ce addition slightly reduces SSA while increasing crystallite size. Electron Microscopy confirms the morphology, although higher Ce levels hinder a full transformation. X‐ray photoemission spectroscopy (XPS) shows the presence of Ce3+/Ce4+ redox pair, promoting electron mobility and Ti‐Ce interactions. Optical and electronic spectroscopy reveals that Ce loading reduces the bandgap from 3.20 to 2.74 eV, extending light absorption into the visible range, thus enhancing the photocatalytic activity. The best sample, CeTNOh0.35, achieved 83% degradation of ciprofloxacin after 360 minutes under solar irradiation, with poor adsorption in the dark period. Higher Ce loadings negatively affect photoactivity by partially covering titania active sites. Reusability tests confirm the stability and efficiency of CeTNOh0.35 over three cycles, highlighting the importance of octahedral morphology in Ce‐containing systems to boost the final photoactivity for water remediation.
Enhanced‐Resolution Learning‐Based Direction of Arrival Estimation by Programmable Metasurface
Authors: Meftah Nawel , Ratni Badreddine , El Korso Mohammed Nabil , Burokur Shah Nawaz 
Published: September 2024

AbstractDue to its growing importance and wide range of applications, direction‐of‐arrival (DOA) estimation has become a major research topic, particularly in the field of communication systems. While traditional DOA estimation methods rely on antenna arrays and complex algorithms, recent progress achieved in the design and implementation of metasurfaces has proved their effectiveness as promising alternatives. This study presents a distinct approach for DOA estimation that combines the use of a programmable metasurface with deep learning. The programmable metasurface together with a radio‐frequency power detector placed at the focal point, acts as a parabolic reflector antenna with an adjustable pointing direction, which scans the azimuth plane in 5° increments to receive the power level of incoming signals. The collected data is then fed into a pre‐trained multilayer neural network to enable DOA estimation with a resolution of lower than 1° without requiring fine‐tuning of the scanning procedure. This approach ensures accurate and fast estimations, paving the way for advanced solutions in detection and localization for various applications.
Self‐Powered Cs3Bi2I9/ZnO Heterojunction Photodetector with Dual‐Band Photoresponse
Authors: Ouyang Weixin 
Published: September 2024

AbstractCs3Bi2I9/ZnO heterostructures are constructed by the growth of Cs3Bi2I9 layer onto the spin‐coated ZnO films by a modified antisolvent recrystallization method, a series of Cs3Bi2I9/ZnO heterojunction photodetectors (PDs) with varied growth times of Cs3Bi2I9 layer are fabricated. The construction of Cs3Bi2I9/ZnO heterojunction contributes to their improved photoelectric performance compared to ZnO‐based PD, and the Cs3Bi2I9 layer thickness plays an important role in tuning the photoelectric performance of these PDs. At 405 nm and 0 V bias, the optimized 6‐Cs3Bi2I9/ZnO PD generates a high photocurrent of −3.03 µA, a medium on/off ratio of 144.3, and a short response time of 16.4 ms/16.8 ms. It also exhibits superior dual‐band self‐powered photoresponse with two responsivity and detectivity peaks at 380 nm in the UV region and at 430 nm in the visible light region. At 380 nm, this PD presents the highest responsivity of 33.2 mA W−1 and detectivity of 1.07 × 1010 Jones. It is believed that the optimized growth of the Cs3Bi2I9 layer generates a depletion layer with suitable thickness near the interface, and the as‐promoted charge‐carrier separation and transport result in improved self‐powered properties. The rational construction of perovskite‐based heterojunction has proved as an efficient way to achieve self‐powered photodetection.
Tailoring MnO2 Cathode Interface via Organic–Inorganic Hybridization Engineering for Ultra‐Stable Aqueous Zinc‐Ion Batteries
Authors: Ding Yaxi , Cai Chun , Ma Longtao , Wang Jiahong , Mercer Michael Peter , Liu Jun , Kramer Denis , Yu Xuefeng , Xue Dongfeng , Zhi Chunyi , Peng Chao 
Published: September 2024

AbstractManganese (Mn)‐based aqueous zinc ion batteries show great promise for large‐scale energy storage due to their high capacity, environmental friendliness, and low cost. However, they suffer from the severe capacity decay associated with the dissolution of Mn from the cathode/electrolyte interface. In this study, theoretical modeling inspires that the amino acid molecule, isoleucine (Ile), can be an ideal surface coating material for α‐MnO2 to stabilize the surface Mn lattice and mitigate Mn dissolution, thereby enhancing cycling stability. Furthermore, the coated Ile molecular layers can accumulate Zn2+ ions from the electrolyte and promote those ions’ transport to the α‐MnO2 cathode while prohibiting H2O from accessing the α‐MnO2 surface, reducing the surface erosion. The compact organic–inorganic interface is experimentally synthesized for α‐MnO2 utilizing Ile that shows homogeneous distribution on the well‐defined Ile‐α‐MnO2 nanorod electrodes. The fabricated aqueous zinc‐ion battery exhibits a high specific capacity (332.8 mAh g−1 at 0.1 A g−1) and excellent cycling stability (85% after 2000 cycles at 1 A g−1) as well as good inhibition toward Mn2+ dissolution, surpassing most reported cathode materials. This organic–inorganic hybrid interface design provides a new, simple avenue for developing high‐performance and low‐cost Mn‐based aqueous zinc ion batteries (AZIBs).
Atomic Printing Strategy Achieves Precise Anchoring of Dual‐Copper Atoms on C2N Structure for Efficient CO2 Reduction to Ethylene
Authors: Sun Zhiyi , Luo Xuan , Shang Huishan , Wang Ziding , Zhang Liang , Chen Wenxing 
Published: September 2024

AbstractIsolated metal sites catalysts (IMSCs) play crucial role in electrochemical CO2 reduction, with potential industrial applications. However, tunable synthesis strategies for IMSCs are limited. Herein, we present an atomic printing strategy that draws inspiration from the ancient Chinese “movable‐type printing technology”. Selecting customizable combinations of metal atoms as metal precursors from an extensive binuclear metal library. A series of dual‐atom catalysts were prepared by utilizing the edge nitrogen atoms in the C2N cavity as anchoring “pincers” to capture metal atoms. To prove utility, the dual atom catalyst Cu2‐C2N is investigated as electrocatalytic CO2RR catalyst. The synergistic interaction of dual Cu atoms promotes C−C coupling and guarantees FEC2+ (90.8 %) and FEC2H4. (71.7 %) at −1.10 V vs RHE. DFT calculations revealed the Cu2 site would be subtly flipped during CO2RR for enhancing *CO adsorption and dimerization. We validate that atomic printing strategies are applicable to wide range of metal combinations, representing a significant advancement in the development of IMSCs.
Eine hochwertige photoschaltbare Sonde, die selektiv und wirksam den Transkriptionsfaktor RORγ moduliert
Authors: Reynders Martin , Willems Sabine , Marschner Julian A. , Wein Thomas , Merk Daniel , Thorn‐Seshold Oliver 
Published: September 2024

AbstractDer Retinsäure‐Rezeptor‐verwandte Waisen‐Rezeptor γ (RORγ) ist ein nuklearer Hormonrezeptor mit vielfältigen biologischen Funktionen in der Regulation der zirkadianen Uhr, bei Entzündungen und in der Immunität. Seine zyklisch‐zeitliche Rolle bei zirkadianen Rhythmen und seine zellspezifische Aktivität im Immunsystem machen ihn zu einer interessanten Zielstruktur für die räumlich und zeitlich lokalisierte Pharmakologie. Um Werkzeuge zu entwickeln, mit denen die RORγ‐Biologie mit angemessener räumlicher und zeitlicher Auflösung untersucht werden kann, haben wir durch Einbau von Azobenzol‐Photoschaltern in Liganden‐Konsensstrukturen lichtabhängige inverse RORγ‐Agonisten entwickelt. Strukturoptimierungen führten zu photoschaltbaren RORγ‐Inhibitoren, die ein hohes Maß an Licht‐kontrollierter Aktivität mit bemerkenswerter On‐Target‐Potenz und hervorragender Selektivität gegenüber verwandten Rezeptoren kombinieren. Diese auf dem Gebiet der Photopharmakologie seltene Qualität zeichnet sie als hochwertige photoschaltbare Sonden aus, die nun als hochpräzise Werkzeuge zur Untersuchung der räumlichen und dynamischen Feinheiten der RORγ‐Wirkung bei der Signalübertragung und bei entzündlichen Erkrankungen dienen können.
Unprecedented Photocatalytic Hydrogen Peroxide Production via Covalent Triazine Frameworks Constructed from Fused Building Blocks
Authors: Sun Ruixue , Yang Xiaoju , Hu Xunliang , Guo Yantong , Zhang Yaqin , Shu Chang , Yang Xuan , Gao Hui , Wang Xiaoyan , Hussain Irshad , Tan Bien 
Published: September 2024

AbstractCovalent organic frameworks (COFs) have garnered attention for their potential in photocatalytic hydrogen peroxide (H2O2) production. However, their photocatalytic efficiency is impeded by insufficient exciton dissociation and charge carrier transport. Constructing COFs with superior planarity is an effective way to enhance the π‐conjugation degree and facilitate electron‐hole separation. Nonetheless, the conventional linear linkers of COFs inevitably introduce torsional strain that disrupts coplanarity. Herein, we address this issue by introducing inherently coplanar triazine rings as linkers and fused building blocks as monomers to create covalent triazine frameworks (CTFs) with superior coplanarity. Both experimental and theoretical calculations confirm that CTFs constructed from fused building blocks significantly enhance the electron‐hole separation efficiency and improve the photocatalytic performance, compared to the CTFs constructed with non‐fused building blocks. The frontier molecular orbitals and electrostatic potentials (ESP) revealed that the oxygen reduction reaction (ORR) is preferentially facilitated by the triazine rings, with the water oxidation reaction (WOR) likely occurring at the thiophene‐containing moiety. Remarkably, CTF‐BTT achieved an exceptional H2O2 production rate of 74956 μmol g−1 h−1 when employing 10 % benzyl alcohol (V/V) as a sacrificial agent in an O2‐saturated atmosphere, surpassing existing photocatalysts by nearly an order of magnitude. Our findings provide valuable insights for designing highly coplanar polymer‐based photocatalysts that enhance the solar‐to‐chemical energy conversion process.
Solvent Minimized Synthesis of Amides by Reactive Extrusion
Authors: Bolt Robert R. A. , Smallman Harry R. , Leitch Jamie A. , Bluck Gavin W. , Barreteau Fabien , Iosub Andrei V. , Constable David , Dapremont Olivier , Richardson Paul , Browne Duncan L. 
Published: September 2024

AbstractHerein, we report on the translation of a small scale ball‐milled amidation protocol into a large scale continuous reactive extrusion process. Critical components to the successful translation were: a) understanding how the different operating parameters of a twin‐screw extruder should be harnessed to control prolonged continuous operation, and b) consideration of the physical form of the input materials. The amidation reaction is applied to 36 amides spanning a variety of physical form combinations (liquid‐liquid, solid–liquid and solid‐solid). Following this learning process, we have developed an understanding for the translation of each physical form combination and demonstrated a 7‐hour reactive extrusion process for the synthesis of an amide on 500 gram scale (1.3 mols of product).
Neurophysiological effects of a combined treatment of lovastatin and minocycline in patients with fragile X syndrome: Ancillary results of the LOVAMIX randomized clinical trial
Authors: Morin‐Parent Florence , Champigny Camille , Côté Samantha , Mohamad Teddy , Hasani Seyede Anis , Çaku Artuela , Corbin François , Lepage Jean‐François 
Published: September 2024

AbstractFragile X syndrome (FXS) is the primary hereditary cause of intellectual disability and autism spectrum disorder. It is characterized by exacerbated neuronal excitability, and its correction is considered an objective measure of treatment response in animal models, a marker albeit rarely used in clinical trials. Here, we used an extensive transcranial magnetic stimulation (TMS) battery to assess the neurophysiological effects of a therapy combining two disease‐modifying drugs, lovastatin (40 mg) and minocycline (100 mg), administered alone for 8 weeks and in combination for 12 weeks, in 19 patients (mean age of 23.58 ± 1.51) with FXS taking part in the LOVAmix trial. The TMS battery, which included the resting motor threshold, short‐interval intracortical inhibition, long‐interval intracortical inhibition, corticospinal silent period, and intracortical facilitation, was completed at baseline after 8 weeks of monotherapy (visit 2 of the clinical trial) and after 12 weeks of dual therapy (visit 4 of the clinical trial). Repeated measure ANOVAs were performed between baseline and visit 2 (monotherapy) and visit 3 (dual therapy) with interactions for which monotherapy the participants received when they began the clinical trial. Results showed that dual therapy was associated with reduced cortical excitability after 20 weeks. This was reflected by a significant increase in the resting‐motor threshold after dual therapy compared to baseline. There was a tendency for enhanced short‐intracortical inhibition, a marker of GABAa‐mediated inhibition after 8 weeks of monotherapy compared to baseline. Together, these results suggest that a combined therapy of minocycline and lovastatin might act on the core neurophysiopathology of FXS. This trial was registered at clinicaltrials.gov (NCT02680379).
An economic foundation for assessing the credibility of corporate net zero transition pathways
Authors: Chan Keith Jin Deng , Cheung Bon , Shen Louis Yue 
Published: September 2024

AbstractThe G20 has highlighted the urgency and importance of financing net zero transition. Investors, however, lack a systematic framework to assess the credibility (incentive‐compatibility) of corporate transition claims. As such, negative screening based on current GHG emissions or even sectors remains a dominant climate investment strategy. In response, this paper develops an economic foundation for credible corporate net zero transition. Our model shows that, besides its current emissions, both a firm's transition capacity and urgency should be considered when assessing its likelihood of attaining net zero; interestingly, it shows how the concavity of its transition pathway may serve as a litmus test. Finally, we discuss how the Task Force on Climate‐Related Financial Disclosures (TCFD) framework can be utilized for credibility assessment of corporate transition pathways. Our findings and recommendations are one of the first attempts to address the market call for systematic approaches to evaluate forward‐looking climate mitigation claims.
Three‐dimensional assessment of subchondral arc and hip joint coverage angles in the asymptomatic young adult hip
Authors: Aitken Holly D. , Goetz Jessica E. , Sailer Wyatt M. , Rivas Dominic J. L. , Farnsworth Christine L. , Upasani Vidyadhar V. , Holt Joshua B. 
Published: September 2024

AbstractThe primary objective of this study was to develop a custom algorithm to assess three‐dimensional (3D) acetabular coverage of the femoral head based on surface models generated from computed tomography (CT) imaging. The secondary objective was to apply this algorithm to asymptomatic young adult hip joints to assess the regional 3D acetabular coverage variability and understand how these novel 3D metrics relate to traditional two‐dimensional (2D) radiographic measurements of coverage. The algorithm developed automatically identifies the lateral‐ and medial‐most edges of the acetabular lunate at one‐degree intervals around the acetabular rim based on local radius of curvature. The acetabular edges and the center of a best‐fit sphere to the femoral head are then used to compute the mean 3D subchondral arc angles and hip joint coverage angles in five acetabular octants. This algorithm was applied to hip models generated from pelvis/hip CT imaging or abdomen/pelvis CT angiograms of 50 patients between 17 and 25 years of age who had no history of congenital or developmental hip pathology, neuromuscular conditions, or bilateral pelvic and/or femoral fractures. Corresponding 2D acetabular coverage measures of lateral center edge angle (LCEA) and acetabular arc angle (AAA) were assessed on the patients' clinical or digitally reconstructed radiographs. The 3D subchondral arc angle in the superior region (58.0 [54.6–64.8] degrees) was significantly higher (p < 0.001) than all other acetabular subregions. The 3D hip joint coverage angle in the superior region (26.2 [20.7–28.5] degrees) was also significantly higher (p < 0.001) than all other acetabular subregions. 3D superior hip joint coverage angle demonstrated the strongest correlation with 2D LCEA (r = 0.649, p < 0.001), while 3D superior‐anterior subchondral arc angle demonstrated the strongest correlation with 2D AAA (r = 0.718, p < 0.001). The 3D coverage metrics in the remaining acetabular regions did not strongly correlate with typical 2D radiographic measures. The discrepancy between standard 2D measures of radiographic acetabular coverage and actual 3D coverage identified on advanced imaging indicates potential discord between anatomic coverage and the standard clinical measures of coverage on 2D imaging. As 2D measurement of acetabular coverage is increasingly used to guide surgical decision‐making to address acetabular deformities, this work would suggest that 3D measures of acetabular coverage may be important to help discriminate local coverage deficiencies, avoid inconsistencies resulting from differences in radiographic measurement techniques, and provide a better understanding of acetabular coverage in the hip joint, potentially altering surgical planning and guiding surgical technique.
Evaluating implementation of a hospital‐based cancer registry to improve childhood cancer care in low‐ and middle‐income countries
Authors: Maas Melissa R. , Yang Allison , Muir Michele A. , Collins James B. , Canter Courtney , Tamamyan Gevorg , Chitsike Inam , Kouya Francine , Nguyen Kim Hoa , Ahmad Alia , Alcasabas Ana Patricia , Gao Yi‐Jin , Johnson Kimberly J. , Ferrara Gia , Bhakta Nickhill , Muluneh Benyam 
Published: September 2024

AbstractPurposeCancer is a leading cause of global childhood mortality, affecting 400,000 children annually. While treatable with modern therapies, children living in low‐ and middle‐income countries (LMICs) have limited access to care and lower survival rates. Hospital‐based cancer registries (HBCRs) collect detailed patient information to critically evaluate and evolve care. The St. Jude Global Childhood Cancer Analytics Resource and Epidemiological Surveillance System (SJCARES) is a cloud‐based HBCR network facilitating quality data collection of pediatric cancer. Wide variation in the success of implementation has warranted further research into the implementation approach, to create a sustainable and adaptable HBCR in LMICs.MethodsSeven of 89 sites using the SJCARES registry were selected, stratified by global region and stage of implementation. Semi‐structured interviews were conducted with key groups (clinicians, administrators, data clerks) using an interview guide developed from the Consolidation Framework for Implementation Research (CFIR). Interviews were conducted via a video‐telephone software program and transcribed by a transcription service. Transcripts were thematically coded using rapid qualitative analysis.ResultsA total of 18 participants (11 clinicians, 4 administrators, 3 data clerks) were interviewed. Several barrier themes were identified, including: difficulty integrating the registry into existing workflow; lack of resources; lack of government or administrative support; and damaged, misplaced, or illegible medical records. Facilitator themes were identified, including: internal support for the registry; clear and extensive training; and dedicated support staff.ConclusionInterviewed participants identified key barriers and facilitators to the implementation of the SJCARES registry across multiple phases. We plan to use these results to develop targeted implementation strategies including a readiness assessment tool to help guide more successful implementation of the SJCARES registry and other HBCRs in LMICs.
Several factors that predict the outcome of large B‐cell lymphoma patients who relapse/progress after chimeric antigen receptor (CAR) T‐cell therapy can be identified before cell administration
Authors: Sýkorová Alice , Folber František , Polgárová Kamila , Móciková Heidi , Ďuraš Juraj , Steinerová Kateřina , Obr Aleš , Heindorfer Adriana , Ladická Miriam , Lukáčová Ľubica , Čellárová Erika , Plameňová Ivana , Belada David , Janíková Andrea , Trněný Marek , Jančárková Tereza , Procházka Vít , Vranovský Andrej , Králiková Margaréta , Vydra Jan , Smolej Lukáš , Drgoňa Ľuboš , Sedmina Martin , Čermáková Eva , Pytlík Robert 
Published: September 2024

AbstractAimThe aim of this study was to analyse the outcomes of patients with large B‐cell lymphoma (LBCL) treated with chimeric antigen receptor T‐cell therapy (CAR‐Tx), with a focus on outcomes after CAR T‐cell failure, and to define the risk factors for rapid progression and further treatment.MethodsWe analysed 107 patients with LBCL from the Czech Republic and Slovakia who were treated in ≥3rd‐line with tisagenlecleucel or axicabtagene ciloleucel between 2019 and 2022.ResultsThe overall response rate (ORR) was 60%, with a 50% complete response (CR) rate. The median progression‐free survival (PFS) and overall survival (OS) were 4.3 and 26.4 months, respectively. Sixty‐three patients (59%) were refractory or relapsed after CAR‐Tx. Of these patients, 39 received radiotherapy or systemic therapy, with an ORR of 22% (CR 8%). The median follow‐up of surviving patients in whom treatment failed was 10.6 months. Several factors predicting further treatment administration and outcomes were present even before CAR‐Tx. Risk factors for not receiving further therapy after CAR‐Tx failure were high lactate dehydrogenase (LDH) levels before apheresis, extranodal involvement (EN), high ferritin levels before lymphodepletion (LD) and ECOG PS >1 at R/P. The median OS‐2 (from R/P after CAR‐Tx) was 6.7 months (6‐month 57.9%) for treated patients and 0.4 months (6‐month 4.2%) for untreated patients (p < 0.001). The median PFS‐2 (from R/P after CAR‐Tx) was 3.2 months (6‐month 28.5%) for treated patients. The risk factors for a shorter PFS‐2 (n = 39) included: CRP > limit of the normal range (LNR) before LD, albumin < LNR and ECOG PS > 1 at R/P. All these factors, together with LDH > LNR before LD and EN involvement at R/P, predicted OS‐2 for treated patients.ConclusionOur findings allow better stratification of CAR‐Tx candidates and stress the need for a proactive approach (earlier restaging, intervention after partial remission achievement).