bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ab Initio Prediction of Ultra‐Wide Band Gap BxAl1−xN Materials
Authors: Milne Cody , Biswas Tathagata , Singh Arunima K. 
Published: March 2023

AbstractUltra‐wide bandgap (UWBG) materials are poised to play an important role in the future of power electronics. Devices made from UWBG materials are expected to operate at higher voltages, frequencies, and temperatures than current silicon and silicon‐carbide‐based devices and can even lead to significant miniaturization of such devices. In the UWBG field, aluminum nitride and boron nitride have attracted great interest; however, the BxAl1−xN alloys are much less studied. In this work, using first‐principles simulations combining density‐functional theory and the cluster expansion method, the crystal structure of BxAl1−xN alloys is predicted. Seventeen ground state structures of BxAl1−xN with formation energies between 0.11 and 0.25 eV atom‐1 are found. All of these structures are found to be dynamically stable. The BxAl1−xN structures are found to have predominantly a tetrahedral bonding environment; however, some structures exhibit sp2 bonds similar to hexagonal BN. This work expands knowledge of the structures, energies, and bonding in BxAl1−xN which aids their synthesis, the innovation of lateral or vertical devices, and discovery of compatible dielectric and Ohmic contact materials.
A phase II study of sintilimab, anlotinib, and pegaspargase sandwiched with radiotherapy as first‐line therapy in patients with newly diagnosed, stage I–II extranodal natural‐killer/T‐cell lymphoma
Authors: Sun Peng , Li Yajun , Li Cong , Ren Kexing , Wang Yu , Yang Hang , Jiang Wenqi , Zou Liqun , Yang Haiyan , Zhou Hui , Li Zhi‐Ming 
Published: March 2023

AbstractNovel highly effective and low‐toxicity combination therapy for localized extranodal natural‐killer/T‐cell lymphoma (ENKTL) remains a clinically unmet need. This phase II trial (NCT03936452) investigated the efficacy and safety of sintilimab, anlotinib, and pegaspargase sandwiched with radiotherapy as first‐line treatment in patients with newly‐diagnosed stage I–II ENKTL. The patients received sintilimab 200 mg plus pegaspargase 2500 U/m2 on day 1 and anlotinib 12 mg once daily on days 1–14 for three 21‐day cycles, followed by intensity‐modulated radiotherapy and another three cycles of systemic therapy. The primary endpoint was the complete response rate (CRR) after six treatment cycles. The secondary endpoints included progression‐free survival (PFS), overall survival (OS), CRR after two cycles, overall response rate (ORR) after six cycles, duration of response (DOR), and safety. Between May 2019 and July 2021, 58 patients were enrolled. The CRR was 55.1% (27/49) after two cycles and 87.8% (43/49) after six cycles. The ORR was 87.8% (43/49; 95% CI, 75.2–95.4) after six cycles. After a median follow‐up of 22.5 months (95% CI, 20.4–24.6), the median PFS, OS, and DOR were not reached. The 2‐year PFS, OS, and DOR rates were 87.6% (95% CI, 78.8–97.4), 97.9% (95% CI, 94.0–100), and 91.1% (95% CI, 83.2–99.8), respectively. Grade 3–4 treatment‐related adverse events occurred in 41.4% (24/58) of patients, with the most common being hypertension (15.5%), hypertriglyceridemia (8.6%), oral mucositis (6.9%), and anemia (5.2%). No treatment‐related deaths occurred. First‐line sintilimab, anlotinib, and pegaspargase sandwiched with radiotherapy demonstrated promising efficacy in treatment‐naïve early‐stage ENKTL patients with a favorable safety profile.
Coronaviruses Use ACE2 Monomers as Entry‐Receptors
Authors: Eiring Patrick , Klein Teresa , Backes Simone , Streit Marcel , Jungblut Marvin , Doose Sören , Beliu Gerti , Sauer Markus 
Published: March 2023

AbstractThe angiotensin‐converting enzyme 2 (ACE2) has been identified as entry receptor on cells enabling binding and infection with the severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) via trimeric spike (S) proteins protruding from the viral surface. It has been suggested that trimeric S proteins preferably bind to plasma membrane areas with high concentrations of possibly multimeric ACE2 receptors to achieve a higher binding and infection efficiency. Here we used direct stochastic optical reconstruction microscopy (dSTORM) in combination with different labeling approaches to visualize the distribution and quantify the expression of ACE2 on different cells. Our results reveal that endogenous ACE2 receptors are present as monomers in the plasma membrane with densities of only 1–2 receptors μm−2. In addition, binding of trimeric S proteins does not induce the formation of ACE2 oligomers in the plasma membrane. Supported by infection studies using vesicular stomatitis virus (VSV) particles bearing S proteins our data demonstrate that a single S protein interaction per virus particle with a monomeric ACE2 receptor is sufficient for infection, which provides SARS‐CoV‐2 a high infectivity.
Designing Breathing Air‐electrode and Enhancing the Oxygen Electrocatalysis by Thermoelectric Effect for Efficient Zn‐air Batteries
Authors: Zheng Xuerong , Cao Yanhui , Wang Haozhi , Zhang Jinfeng , Zhao Menghan , Huang Zhong , Wang Yang , Zhang Li , Deng Yida , Hu Wenbin , Han Xiaopeng 
Published: March 2023

AbstractThe sluggish kinetics and mutual interference of oxygen evolution and reduction reactions in the air electrode resulted in large charge/discharge overpotential and low energy efficiency of Zn‐air batteries. In this work, we designed a breathing air‐electrode configuration in the battery using P‐type Ca3Co4O9 and N‐type CaMnO3 as charge and discharge thermoelectrocatalysts, respectively. The Seebeck voltages generated from thermoelectric effect of Ca3Co4O9 and CaMnO3 synergistically compensated the charge and discharge overpotentials. The carrier migration and accumulation on the cold surface of Ca3Co4O9 and CaMnO3 optimized the electronic structure of metallic sites and thus enhanced their intrinsic catalytic activity. The oxygen evolution and reduction overpotentials were enhanced by 101 and 90 mV, respectively, at temperature gradient of 200 °C. The breathing Zn‐air battery displayed a remarkable energy efficiency of 68.1 %. This work provides an efficient avenue towards utilizing waste heat for improving the energy efficiency of Zn‐air battery.
Supercharged CO2 Photothermal Catalytic Methanation: High Conversion, Rate, and Selectivity
Authors: Zhu Xianglin , Zong Huibin , Pérez Camilo J. Viasus , Miao Honghai , Sun Wei , Yuan Zhimin , Wang Shenghua , Zeng Guixin , Xu Hui , Jiang Zaiyong , Ozin Geoffrey A. 
Published: March 2023

AbstractTo overcome the thermodynamic and kinetic impediments of the Sabatier CO2 methanation reaction, the process must be operated under very high temperature and pressure conditions, to obtain an industrially viable conversion, rate, and selectivity. Herein, we report that these technologically relevant performance metrics have been achieved under much milder conditions using solar rather than thermal energy, where the methanation reaction is enabled by a novel nickel‐boron nitride catalyst. In this regard, an in situ generated HOB⋅⋅⋅B surface frustrated Lewis's pair is considered responsible for the high Sabatier conversion 87.68 %, reaction rate 2.03 mol gNi−1h−1, and near 100 % selectivity, realized under ambient pressure conditions. This discovery bodes well for an opto‐chemical engineering strategy aimed at the development and implementation of a sustainable ‘Solar Sabatier’ methanation process.
Strong Metal‐Support Interactions through Sulfur‐Anchoring of Metal Catalysts on Carbon Supports
Authors: Yin Peng , Yan Qiang‐Qiang , Liang Hai‐Wei 
Published: March 2023

AbstractIn supported metal catalysts, the supports would strongly interact with the metal components instead of just acting as a carrier, which greatly affects both of their synthesis and catalytic activity, selectivity, and stability. Carbon is considered as very important but inert support and thus hard to induce strong metal‐support interaction (SMSI). This mini‐review highlights that sulfur—a documented poison reagent for metal catalysts—when doped in a carbon supports can induce diverse SMSI phenomenon, including electronic metal‐support interaction (EMSI), classic SMSI, and reactive metal‐support interaction (RMSI). These SMSI between metal and sulfur‐doped carbon (S−C) supports enables the catalysts with extraordinary resistance to sintering at high temperatures of up to 1100 °C, which allows the general synthesis of single‐atom, alloy cluster, and intermetallic compound catalysts with high dispersion and metal loading for a variety of applications.
Ligand‐Mediated Revival of Degraded α‐CsPbI3 to Stable Highly Luminescent Perovskite
Authors: Ghorai Arup , Mahato Somnath , Singh Sudarshan , Bose Shaona , Roy Baidyanath , Jeong Unyong , Kumar Ray Samit 
Published: March 2023

AbstractAlthough α‐CsPbI3 is regarded as an attractive optical luminophore, it is readily degraded to the optically inactive δ‐phase under ambient conditions. Here, we present a simple approach to revive degraded (“optically sick”) α‐CsPbI3 through “medication” with thiol‐containing ligands. The effect of different types of thiols is systematically studied through optical spectroscopy. The structural reconstruction of degraded α‐CsPbI3 nanocrystals to cubic crystals in the presence of thiol‐containing ligands is visualized through high‐resolution transmission electron microscopy and supported by X‐ray diffraction analysis. We found that 1‐dodecanethiol (DSH) effectively revives degraded CsPbI3 and results in high immunity towards moisture and oxygen, hitherto unreported. DSH facilitates the passivation of surface defects and etching of degraded Cs4PbI6 phase, thus reverting them back to the cubic CsPbI3 phase, leading to enhanced PL and environmental stability.
Structural, vibrational, optical, and anticancer properties of Hyphaene thebaica‐reduced nano‐lanthanum oxide (La2O3)
Authors: Mohamed Hamza Elsayed Ahmad , Khalil Ali Talha , Hkiri Khaoula , Ayaz Muhammad , Usman Asad , Sadiq Abdul , Ullah Farhat , Khan Muhammad Arif , Islam Arshad , Ovais Muhammad , Maaza Malik 
Published: March 2023

Phytoextracts modulated synthesis of nano‐scaled spherical lanthanum oxide nanoparticles (La2O3 NPs) are reported using the aqueous extracts of Hyphaene thebaica as a bioreducing and chelating agent. X‐ray diffraction (XRD) pattern revealed sharp peaks and single‐phase purity. The Debye–Scherrer approximation indicated an average crystallite size of 37 nm, whereas W‐H plot revealed a crystallite size of 59 nm, complemented by the high‐resolution transmission electron microscopy (HR‐TEM). The infrared spectroscopy revealed characteristic La‐O band at 426 and 648 cm−1. K‐M function revealed the bandgap of 5.6 eV, whereas broad intense emission peaks between 345 and 750 nm. The Raman spectra revealed peaks at 182, 325, 384, and 491 cm−1. Elemental composition was confirmed using energy‐dispersive X‐ray spectroscopy (EDS) spectrum, and the spotty rings from selected area electron diffraction (SAED) indicated the crystalline nature of the HT‐La2O3 NPs. In addition, the HT‐La2O3 NPs were investigated for in vitro antioxidant, anticancer, antiangiogenic, and cytotoxic potentials. DPPH free radical scavenging activity was highest, that is, 49.54 ± 0.88% at 1000 μg/mL. MTT assay on MCF‐7 and 3T3 cell lines revealed a median lethal concentration of 114 and 43 μg/mL, respectively. The antiangiogenic effect examined by chick chorioallantoic membrane (CAM) assay indicated inhibition of 57.14 ± 0.96% at 1000‐μg/mL concentration with an IC50 of 551 μg/mL. IC50 for the brine shrimp lethality assay was 314.2 μg/mL. Our study indicates cytotoxicity of HT‐La2O3 NPs, and it further concluded that HT‐La2O3 NPs were more potent against 3T3 cells as compared with MCF‐7 cells. Further research on the biological synthesis and anticancer studies are recommended for the large‐scale applications of the La2O3 NPs.
Evaluation of rheological behavior of asphalt mixtures modified with triblock polymers grafted maleic anhydride and montmorillonite clay
Authors: Vargas Maria de los Angeles , Sanchez‐Solis Antonio , Vargas Miguel Angel , Manero Octavio 
Published: March 2023

AbstractThis work presents an investigation of the incorporation of maleic anhydride (MAH)‐grafted triblock copolymers and montmorillonite clay (Mt) as modifiers of asphalt. A series of unmodified copolymers styrene‐butadiene‐styrene (SBS), styrene‐isoprene‐styrene (SIS), or styrene‐ethylene/butylene‐styrene (SEBS) with clay were prepared by direct mixing of all components. Subsequently, they were compared with their grafted‐MAH copolymer counterparts. The asphalt blends were characterized with respect to their rheological, morphological, and physical properties. Experimental results revealed that SBS and SIS grafted‐copolymer composites increase the softening point by 1.5%–7%, while the penetration decreases by 2%–15% in comparison to the homologous nongrafted polymers. The improvement can be directly linked to the continuous network polymer in the asphalt blends. The combined use of styrene‐isoprene‐styrene‐g‐MAH (SIS‐g‐MAH) copolymer and clay impart higher elastic behavior than that of the other blends. G′ increases about 95% in comparison to that of SIS/Mt, while the complex viscosity is three decades larger in the low frequencies region. Elevated rutting resistance temperature (>100°C), tanδ <5, reveals a solid‐like behavior with no Newtonian plateau. SEBS‐g‐MAH/Mt presents diminished rheological properties with respect to those of SEBS/Mt due to poor dispersion and agglomeration of clay particles in the polymer and asphalt matrix.
Does sorting by color using visible and high‐energy violet light improve classification of taxa in honey bee pollen pellets?
Authors: Bailey Charlie P. , Sonter Carolyn A. , Jones Jeremy L. , Pandey Sabu , Haberle Simon , Santos Karen C. B. S. , Absy Maria L. , Rader Romina 
Published: March 2023

AbstractPremisePollen collected by honey bees from different plant species often differs in color, and this has been used as a basis for plant identification. The objective of this study was to develop a new, low‐cost protocol to sort pollen pellets by color using high‐energy violet light and visible light to determine whether pollen pellet color is associated with variations in plant species identity.Methods and ResultsWe identified 35 distinct colors and found that 52% of pollen subsamples (n = 200) were dominated by a single taxon. Among these near‐pure pellets, only one color consistently represented a single pollen taxon (Asteraceae: Cichorioideae). Across the spectrum of colors spanning yellows, oranges, and browns, similarly colored pollen pellets contained pollen from multiple plant families ranging from two to 13 families per color.ConclusionsSorting pollen pellets illuminated under high‐energy violet light lit from four directions within a custom‐made light box aided in distinguishing pellet composition, especially in pellets within the same color.
Design, Synthesis, Docking Study of Pyrazolohydrazinopyrimidin‐4‐one Derivatives and Their Application as Antimicrobials
Authors: Alolayan Ruba A. , Ali Ahmed Elkanzi Nadia , Hrichi Hajer , Bakr Rania B. 
Published: March 2023

AbstractNew series of pyrazoles 4a–c and pyrazolopyrimidines 5a–f had been constructed. The newly synthesized compounds were assessed for their antimicrobial activity towards E. coli and P. aeruginosa (gram –ve bacteria), B. subtilis and S. aureus (gram +ve bacteria) and A. flavus and C. albicans (representative of fungi). The pyrazolylpyrimidine‐2,4‐dione derivative 5b is the most active candidate against B. subtilis (MIC=60 μg/mL) and P. aeruginosa (MIC=45 μg/mL). Regarding antifungal potential, compound 5f was the most effective against A. flavus (MIC=33 μg/mL). Similarly, compound 5c displayed strong antifungal activity towards C. Albicans (MIC=36 μg/mL) in reference to amphotericin B (MIC=60 μg/mL). Finally, the novel compounds had been docked inside dihydropteroate synthase (DHPS) to suggest the binding mode of these compounds.
Evaluation of Photocatalysis Based on Ozone/Goethite/Ultraviolet C for Caffeine Degradation
Authors: Venecia-Nuñez José David , Ramírez-Parra Leidy Tatiana , Lara-Ramos Jose Antonio , Machuca-Martinez Fiderman , Colina-Márquez José Ángel , Mueses Miguel Angel 
Published: March 2023

AbstractCaffeine is found in significant concentrations in the environment due to bioaccumulation and high resistance to conventional and biological treatments. It has critical effects on aquatic species and human health. Intensification of photocatalysis based on ozone (O3)/ultraviolet (UV) radiation type C/goethite (GHT) was applied in the degradation and mineralization of caffeine in solution by using a heterogeneous stirred‐tank photoreactor with artificial light. O3 dose and GHT charge were established as perturbation variables, and the effects of speed of agitation, pH, initial caffeine concentration, and UV light were evaluated before intensification to find the best conditions. With the O3/UV/GHT process, a degree of degradation of ca. 99.97 % for caffeine in water was reached in less than 20 min. The degree of mineralization achieved was 38.02 %.
The Anode Materials for Lithium‐Ion and Sodium‐Ion Batteries Based on Conversion Reactions: a Review
Authors: Xu Hao , Li Huijun , Wang Xiaomin 
Published: March 2023

AbstractDue to its characteristics of not being constrained by the lattice structure and cation size, electrochemical conversion reaction is becoming an increasingly prominent type of electrochemical reaction. Lithium‐ion batteries can achieve superior performance by utilizing conversion reactions, Moreover, Sodium‐ion batteries are expected to become alternatives to lithium‐ion because of the plentiful sodium resources. This review discusses the most current developments and unmet needs in anode materials based on conversion reactions of Lithium‐ion and sodium‐ion batteries, as well as various synthesis techniques, morphological characteristics, and electrochemical properties.
A Cytoplasm‐Specific Fluorescent Ligand for Selective Imaging of RNA G‐Quadruplexes in Live Cancer Cells
Authors: Zheng Bo‐Xin , Long Wei , She Meng‐Ting , Wang Yakun , Zhao Dong , Yu Jie , Siu‐Lun Leung Alan , Hin Chan Ka , Hou Jinqiang , Lu Yu‐Jing , Wong Wing‐Leung 
Published: March 2023

AbstractThe development of site‐specific, target‐selective and biocompatible small molecule ligands as a fluorescent tool for real‐time study of cellular functions of RNA G‐quadruplexes (G4s), which are associated with human cancers, is of significance in cancer biology. We report a fluorescent ligand that is a cytoplasm‐specific and RNA G4‐selective fluorescent biosensor in live HeLa cells. The in vitro results show that the ligand is highly selective targeting RNA G4s including VEGF, NRAS, BCL2 and TERRA. These G4s are recognized as human cancer hallmarks. Moreover, intracellular competition studies with BRACO19 and PDS, and the colocalization study with G4‐specific antibody (BG4) in HeLa cells may support that the ligand selectively binds to G4s in cellulo. Furthermore, the ligand was demonstrated for the first time in the visualization and monitoring of dynamic resolving process of RNA G4s by the overexpressed RFP‐tagged DHX36 helicase in live HeLa cells.
CEO turnover, stakeholder management, and dynamics between corporate social responsibility and firm performance
Authors: Qiao Yankuo 
Published: March 2023

AbstractFocusing on the CEO transition period, this paper documents that the variation of CSR is highly associated with the fluctuation of firm performance. Moreover, it is found that the strong association is undermined for the CEO transition period during which ample variations of value relevant firm policies take place. Furthermore, the empirical evidence suggests that CEOs whose predecessors relinquish power involuntarily are more likely to adjust CSR activities for the purpose of optimal stakeholder management. The paper presents a heuristic and parsimonious model to guide the empirical investigation and conducts a system of simultaneous equations to ameliorate the endogenous nexus of firm performance, CEO turnover and CSR adjustment. The results are also robust to a battery of additional checks.
Ionic Liquid Modified Electrocatalysts: a STEM‐EDX Approach for Identification of Local Distributions within Ionomer Containing Catalysts Layers
Authors: Brunnengräber Kai , Jeschonek Katharina , George Michael , Zhang Gui‐Rong , Etzold Bastian J. M. 
Published: March 2023

AbstractDriven by the transition to a CO2‐neutral energy economy, research on polymer electrolyte fuel cells gained much interest during the last decade, with researchers trying to overcome the sluggish kinetics of the oxygen reduction reaction (ORR) limiting their performance. Modification of existing ORR catalysts with small amounts of ionic liquids (IL) represents an innovative approach to altering the catalytic activity and stability. ILs are supposed to take effect by modifying the local microenvironment at electrochemical interfaces. Nevertheless, a thorough understanding about the local distribution of ILs over solid catalysts is still lacking, hindering the IL modification strategy to be a generic approach to rationally modulating the catalytic performance of a catalyst. In this study we employed STEM‐EDS spectral imaging to locate the IL distribution on the catalyst in presence of NafionTM. To overcome the difficulties associated with low energy STEM‐EDS we setup a sophisticated data processing routine based on machine learning.
Equivalent doses for anticancer agents used in pediatric oncology: A literature review and evaluation of a novel approach for conversion factors
Authors: Ressing Meike , Becker Cornelia , Müller Christian , Mahmoudpour Seyed Hamidreza , Calaminus Gabriele , Langer Thorsten , Erdmann Friederike , Voigt Mathias , Kaiser Melanie , Kaatsch Peter , Blettner Maria , Spix Claudia 
Published: March 2023

AbstractBackgroundEpidemiological research on late effects of therapy shows the necessity to aggregate chemotherapy agents to substance classes. This requires using conversion factors by substance classes.AimsThe aim of this study was to identify previously used conversion factors from the literature, to present a novel approach for additional factors, and to compare these approaches.Methods and ResultsA literature review was performed, which identified two main principles of deriving conversion factors: effect‐equivalence and equimolar. Thirty‐five articles presenting effect equivalence‐based factors in the widest sense were found in the literature. Ten articles presented the equimolar approach which can be applied to almost all chemotherapy substances. Based on a comprehensive list of treatment protocols used in German pediatric oncology, we derived alternative conversion factors from typical doses. We compared the conversion factors using Pearson correlation coefficients and linear regression. At least two types of conversion factor were available for each of the 49 substances included. The equivalent effect‐based and the typical dose‐based factors were highly correlated with a regression coefficient close to 1. The equimolar factors are independent.ConclusionsFor substances for which no conversion factor based on some type of effect equivalence has been published so far, a factor based on a typical doses‐approach may be used in epidemiological late effects research. Doses aggregated based on the equimolar approach may not be compatible with doses aggregated based on equivalent effects.