bluuebunny/crossref_metadata_2025_split huggingface dataset:
Controlling the Nonlinear Optical Behavior and Structural Transformation with A‐Site Cation in α‐AZnPO4 (A = Li, K)
Authors: He Xianmen , Qi Lu , Zhang Wenyao , Zhang Ruixin , Dong Xiaoyu , Ma Junhong , Abudoureheman Maierhaba , Jing Qun , Chen Zhaohui 
Published: February 2023

AbstractRegulating the crystal structure by A‐site cation substitution is one of the effective methods to explore high‐performance nonlinear optical (NLO) materials. Herein, two non‐centrosymmetric (NCS) compounds, α‐MZnPO4 (M = Li, K) with short UV absorption edges 221 and 225 nm, are obtained by performing A‐site cation substitution method. It is noteworthy that α‐LiZnPO4 (α‐LZPO) achieves >10 times second harmonic generation (SHG) response (2.3 × KDP) enhancement compared with that of α‐KZnPO4 (α‐KZPO) (0.2 × KDP), which is the only case among phosphates with different A‐site cations. By structural comparison, it is found that the A‐site cations play important roles for anion rearrangements, and further the structure features of the two compounds by designing two suppositional crystal models as well as performing other theoretical calculations are analyzed. The study confirms the feasibility to design promising NLO materials with strengthen SHG response and structural stability in orthophosphate system.
Quantitative Prediction of Inorganic Nanomaterial Cellular Toxicity via Machine Learning
Authors: Shirokii Nikolai , Din Yevgeniya , Petrov Ilya , Seregin Yurii , Sirotenko Sofia , Razlivina Julia , Serov Nikita , Vinogradov Vladimir 
Published: February 2023

AbstractOrganic chemistry has seen colossal progress due to machine learning (ML). However, the translation of artificial intelligence (AI) into materials science is challenging, where biological behavior prediction becomes even more complicated. Nanotoxicity is a critical parameter that describes their interaction with the living organisms screened in every bio‐related research. To prevent excessive experiments, such properties have to be pre‐evaluated. Several existing ML models partially fulfill the gap by predicting whether a nanomaterial is toxic or not. Yet, this binary categorization neglects the concentration dependencies crucial for experimental scientists. Here, an ML‐based approach is proposed to the quantitative prediction of inorganic nanomaterial cytotoxicity achieving the precision expressed by 10‐fold cross‐validation (CV) Q2 = 0.86 with the root mean squared error (RMSE) of 12.2% obtained by the correlation‐based feature selection and grid search‐based model hyperparameters optimization. To provide further model flexibility, quantitative atom property‐based nanomaterial descriptors are introduced allowing the model to extrapolate on unseen samples. Feature importance is calculated to find an interpretable model with optimal decision‐making. These findings allow experimental scientists to perform primary in silico candidate screening and minimize the number of excessive, labor‐intensive experiments enabling the rapid development of nanomaterials for medicinal purposes.
Re‐Dispersion of Platinum From CNTs Substrate to α‐MoC1 ‐ x to Boost the Hydrogen Evolution Reaction
Authors: Cai Huizhu , Wang Li , Liu Wei , Zhang Xiao , Chen Bingbing , Mao Peiyuan , Fang Jiancong , Gao Rui , Shi Chuan 
Published: February 2023

AbstractDeveloping high‐performance electrocatalysts toward hydrogen evolution reaction (HER) is important for clean and sustainable hydrogen energy, yet still challenging. Herein, an α‐MoC1 ‐ x induced redispersing strategy to construct a superior HER electrocatalyst (Pt/CNTs‐N + α‐MoC1 ‐ x) by mechanical mixing of α‐MoC1 ‐ x with Pt/CNTs‐N followed by thermal reduction is reported. It is found that thermo‐activation treatment enables partial Pt atoms to redisperse on α‐MoC1 ‐ x substrate from carbon nanotubes, which creates dual active interfaces of Pt species dispersed over carbon nanotubes and α‐MoC1 ‐ x. Benefiting from the strong electronic interaction between the Pt atom and α‐MoC1 ‐ x, the utilization efficiency of the Pt atom and the zero‐valence state of Pt is evidently enhanced. Consequently, Pt/CNTs‐N + α‐MoC1 ‐ x catalyst exhibits excellent HER activity with low overpotentials of 17 and 34 mV to achieve a current density of 10 mA cm−2 in acidic and alkaline electrolytes, respectively. Density functional theory calculations further reveal that the synergistic effect between Pt and α‐MoC1 ‐ x makes it accessible for the dissociation of water molecules and subsequent desorption of hydrogen atoms. This work reveals the crucial roles of α‐MoC1 ‐ x additives, providing practical solutions to enhance platinum dispersion, and thereby enhance the catalytic activity in HER.
Targeting Mucin Protein Enables Rapid and Efficient Ovarian Cancer Cell Capture: Role of Nanoparticle Properties in Efficient Capture and Culture
Authors: Feely Nathan , Wdowicz Anita , Chevalier Anne , Wang Ying , Li Peng , Rollo Fanny , Lee Gil U. 
Published: February 2023

AbstractThe development of specific and sensitive immunomagnetic cell separation nanotechnologies is central to enhancing the diagnostic relevance of circulating tumor cells (CTCs) and improving cancer patient outcomes. The limited number of specific biomarkers used to enrich a phenotypically diverse set of CTCs from liquid biopsies has limited CTC yields and purity. The ultra‐high molecular weight mucin, mucin16 (MUC16) is shown to physically shield key membrane proteins responsible for activating immune responses against ovarian cancer cells and may interfere with the binding of magnetic nanoparticles to popular immunomagnetic cell capture antigens. MUC16 is expressed in ≈90% of ovarian cancers and is almost universal in High Grade Serous Epithelial Ovarian Cancer. This work demonstrates that cell bound MUC16 is an effective target for rapid immunomagnetic extraction of expressor cells with near quantitative yield, high purity and viability from serum. The results provide a mechanistic insight into the effects of nanoparticle physical properties and immunomagnetic labeling on the efficiency of immunomagnetic cell isolation. The growth of these cells has also been studied after separation, demonstrating that nanoparticle size impacts cell‐particle behavior and growth rate. These results present the successful isolation of “masked” CTCs enabling new strategies for the detection of cancer recurrence and select and monitor chemotherapy.
Construction of Cu7S4@CuCo2O4 Yolk–Shell Microspheres Composite and Elucidation of Its Enhanced Photocatalytic Activity, Mechanism, and Pathway for Carbamazepine Degradation
Authors: He Zuming , Yang Hanpei , Wong Ngie Hing , Ernawati Lusi , Sunarso Jaka , Huang Zhengyi , Xia Yongmei , Wang Yong , Su Jiangbin , Fu Xiaofei , Wu Mi 
Published: February 2023

AbstractWater pollution caused by the massive use of medicines has caused significant environmental problems. This work first reports the synthesis and characterization of the Cu7S4/CuCo2O4 (CS/CCO) yolk–shell microspheres via hydrothermal and annealing methods, and then investigates their photocatalytic performance in removing organic water pollutants. The 10‐CS/CCO composite with yolk–shell microspheres exhibits the highest photodegradation rate of carbamazepine (CBZ), reaching 96.3% within 2 h. The 10‐CS/CCO also demonstrates more than two times higher photodegradation rates than the pure (Cu7S4) CS and (CuCo2O4) CCO. This outstanding photocatalytic performance can be attributed to the unique yolk–shell structure and the Z‐scheme charge transfer pathway, reducing multiple reflections of the acting light. These factors enhance the light absorption efficiency and efficiently transfer photoexcited charge carriers. In‐depth, photocatalytic degradation pathways of CBZ are systematically evaluated via the identification of degradation intermediates with Fukui index calculation. The insights gained from this work can serve as a guideline for developing low‐cost and efficient Z‐scheme photocatalyst composites with the yolk–shell structure.
Twisty C‐TiO2/PCN S‐Scheme Heterojunction with Enhanced n→π * Electronic Excitation for Promoted Piezo‐Photocatalytic Effect
Authors: Tang Rongdi , Zeng Hao , Feng Chengyang , Xiong Sheng , Li Ling , Zhou Zhanpeng , Gong Daoxin , Tang Lin , Deng Yaocheng 
Published: February 2023

AbstractHerein, a twisty C‐TiO2/PCN (CNT) Step‐scheme (S‐scheme) heterojunction is fabricated and applied to degrade ciprofloxacin (CIP) with the assistance of ultrasonic vibration and visible light irradiation. The nitrogen‐rich twisty polymeric carbon nitride (PCN) can not only induce a non‐centrosymmetric structure with enhanced polarity for a better piezoelectric effect but also provide abundant lone pair electrons to promote n→π* transition during photocatalysis. Its hybridization with C‐TiO2 particles can construct S‐scheme heterojunction in CNT. During the piezo‐photocatalysis, the strain‐induced polarization electric field in the heterojunction can regulate the electron migration between the two components, resulting in a more effective CIP degradation. With the synergistic effect of ultrasonic vibration and visible light irradiation, the reaction rate constant of CIP degradation by CNT increases to 0.0517 min−1, which is 1.86 times that of photocatalysis and 6.46 times that of ultrasound. This system exhibits a stable CIP decomposition efficiency under the interference of various environmental factors. In addition, the in‐depth investigation found that three pathways and 12 major intermediates with reduced toxicity are produced after the reaction. Hopefully, the construction of this twisty CNT S‐scheme heterojunction with enhanced piezo‐photocatalytic effect offers inspiration for the design of environmentally functional materials.
Fe(III)‐Naphthazarin Metal–Phenolic Networks for Glutathione‐Depleting Enhanced Ferroptosis–Apoptosis Combined Cancer Therapy
Authors: Liu Zhendong , Liu Sainan , Liu Bin , Bian Yulong , Yuan Meng , Yang Chunzheng , Meng Qi , Chen Changxiao , Ma Ping'an , Lin Jun 
Published: February 2023

AbstractNowadays, Fenton chemistry‐based chemodynamic therapy (CDT) is an emerging approach to killing tumor cells by converting endogenous H2O2 into cytotoxic hydroxyl radicals (·OH). However, the elimination of ·OH by intracellular overexpressed glutathione (GSH) results in unsatisfactory antitumor efficiency. In addition, the single mode of consuming GSH and undesirable drug loading efficiency cannot guarantee the efficient cancer cells killing effect. Herein, a simple one‐step strategy for the construction of Fe3+‐naphthazarin metal–phenolic networks (FNP MPNs) with ultrahigh loading capacity, followed by the modification of NH2‐PEG‐NH2, is developed. The carrier‐free FNP MPNs can be triggered by acid and GSH, and rapidly release naphthazarin and Fe3+, which is further reduced to Fe2+ that exerts Fenton catalytic activity to produce abundant ·OH. Meanwhile, the Michael addition between naphthazarin and GSH can lead to GSH depletion and thus achieve tumor microenvironment (TME)‐triggered enhanced CDT, followed by activating ferroptosis and apoptosis. In addition, the reduced Fe2+ as a T1‐weighted contrast agent endows the FNP MPNs with magnetic resonance imaging (MRI) functionality. Overall, this work is the debut of naphthazarin as ligands to fabricate functional MPNs for effectively depleting GSH, disrupting intracellular redox homeostasis, and enhancing CDT effects, which opens new perspectives on multifunctional MPNs for tumor synergistic therapy.
Converting CO2 into Value‐Added Products by Cu2O‐Based Catalysts: From Photocatalysis, Electrocatalysis to Photoelectrocatalysis
Authors: Li Chu‐fan , Guo Rui‐tang , Zhang Zhen‐rui , Wu Tong , Pan Wei‐guo 
Published: February 2023

AbstractConverting CO2 into value‐added products by photocatalysis, electrocatalysis, and photoelectrocatalysis is a promising method to alleviate the global environmental problems and energy crisis. Among the semiconductor materials applied in CO2 catalytic reduction, Cu2O has the advantages of abundant reserves, low price and environmental friendliness. Moreover, Cu2O has unique adsorption and activation properties for CO2, which is conducive to the generation of C2+ products through CC coupling. This review introduces the basic principles of CO2 reduction and summarizes the pathways for the generation of C1, C2, and C2+ products. The factors affecting CO2 reduction performance are further discussed from the perspective of the reaction environment, medium, and novel reactor design. Then, the properties of Cu2O‐based catalysts in CO2 reduction are summarized and several optimization strategies to enhance their stability and redox capacity are discussed. Subsequently, the application of Cu2O‐based catalysts in photocatalytic, electrocatalytic, and photoelectrocatalytic CO2 reduction is described. Finally, the opportunities, challenges and several research directions of Cu2O‐based catalysts in the field of CO2 catalytic reduction are presented, which is guidance for its wide application in the energy and environmental fields is provided.
Tragverhalten hochfester Verbundstützen und Werkstoffverhalten im Brandfall – FOSTA‐Forschungsverbund HOCHFEST: Projekte „Hochfeste Verbundstützen und Brand“
Authors: Knobloch Markus , Feldmann Markus , Claßen Martin , Zehfuß Jochen , Mensinger Martin , Uszball Sara , Schurgacz Przemyslaw , Schäfers Michael , Janiak Till , Nonn Jonas , Jalaeeyan Asieh , Ameri Shaghayegh , Wolters Kevin , Röß Rudolf 
Published: February 2023

AbstractIm Hoch‐ und Industriebau werden zunehmend betongefüllte Hohlprofil‐Verbundstützen eingesetzt, da diese insbesondere unter Verwendung von Einstellprofilen hohe Tragkapazitäten bei gleichzeitig kleinen Querschnitten ermöglichen. Zudem zeichnen sich Verbundstützen durch hohe Feuerwiderstände ohne zusätzliche Brandschutzmaßnahmen aus. Die Verwendung von höherfesten Bau‐ und Werkstoffen für Verbundstützen ermöglicht es dabei zusätzlich, Stahl‐Beton‐Verbundkonstruktionen nachhaltiger, effizienter und wirtschaftlicher zu realisieren und so langfristig die Konkurrenzfähigkeit von Stahl‐Beton‐Verbundstützen zu erhalten. Der Einsatz hoch‐ bzw. höchstfester Bau‐ und Werkstoffe für Verbundstützen wird derzeit noch durch den Anwendungsbereich des Eurocode 4 begrenzt. Genau hier setzen die in diesem Heft der Stahlbau vorgestellten FOSTA‐Forschungsvorhaben des Forschungsverbunds HOCHFEST an. Der Forschungsverbund HOCHFEST umfasst insgesamt 15 Forschungsvorhaben, welche das vielfältige Anwendungspotenzial von hochfesten Stählen aufzeigen. Die hier vorgestellten Forschungsprojekte P 1287, P 1349, P 1500, P 1501 und P 1502 adressieren das Tragverhalten von Hochleistungsverbundstützen und das Werkstoffverhalten hochfesten Stahls bei Normaltemperatur sowie im Brandfall und bei Erdbebenbeanspruchung. Damit bilden die Erkenntnisse der Forschungsprojekte die wesentliche Grundlage für die zukünftige Weiterentwicklung von Bemessungsvorschriften für Hochleistungsverbundstützen.
Data‐driven reliability and cost‐based design optimization of steel fiber reinforced concrete suspended slabs
Authors: Alotaibi Emran , Nassif Nadia , Barakat Samer 
Published: February 2023

AbstractThe governing failure mode for flat slabs is punching shear, which occurs when the punching forces exceed the slab resistances in the critical area around the column surface. Recently, considerable knowledge has been obtained on understanding steel fiber reinforced concrete (SFRC) suspended slabs as a sustainable and reliable technique to enhance post‐cracking behavior and resist loading effects, including punching shear. The properties of the materials, loading, and dimension vary inevitably and may be represented in the form of statistical distributions. In this study, all parameters affecting the punching shear of the SFRC suspended slabs were treated as random variables. Monte Carlo simulations (MCS) and punching shear model developed previously using Artificial Neural Network (ANN) were combined (ANN‐MCS) to conduct a reliability analysis, cost optimization, and model calibration. Reliability results have shown that the inclusion of fibers increased the safety level (20% in terms of the reliability index β) of the slabs against punching shear. Furthermore, a reliability‐based cost optimization was performed on the ANN‐MCS model. The optimization outcomes demonstrated steel ratio has a significant impact on SFRC slab cost, and thus it should be minimized/reduced when the steel fibers are included in the mix. Moreover, the ANN model was calibrated following a code calibration procedure to account for the model, material, and fabrication uncertainties. The calibration results have shown that a reduction factor of 0.6 should be applied to the ANN‐based model to achieve the target reliability level, β ≥ 2.5.
Green demolition technology of reinforced concrete slab: Application of soundless chemical demolition agents and its evaluation system
Authors: Jiang Zhisheng , Zheng Wenzhong , Wang Ying , Li Sheng , Sun Linqi 
Published: February 2023

AbstractThe annual global building demolition is burdensome due to the rapid development of cities. The pollution associated with building demolition severely endangers the urban environment. Soundless chemical demolition agents (SCDAs) can effectively avoid environmental hazards in the demolition of concrete buildings. However, related literature on optimal hole layout design is still vacant. The demolition of reinforced concrete slabs was therefore explored in this paper. In total, 18 slab specimens were tested. Results showed that the slab specimens were demolished into several blocks due to sufficient development of cracks. Following this, a set of complete evaluation system was proposed. First, the volumetric expansion ratio of SCDAs was provided as a new evaluation index. Based on this evaluation index, the influences of critical parameters and the influence mechanism of reinforcements were investigated. Second, a novel multi‐parameter hole layout computational model was established. With this model, an optimal hole layout scheme could be obtained. Finally, the application prospect of SCDAs was discussed. This work can open up a new vision for the demolition industry.
Prolonged exposure to the herbicide atrazine promotes kidney fibrosis by activating Wnt/β‐catenin signaling in rats
Authors: Wang Taiwei , Huang Xuemiao , Liu Jian , Liu Wei , Yang Zhaoyun , He Kang , Chen Junyu , Zhao Lijing 
Published: February 2023

AbstractExposure to atrazine (ATR), a widely‐used herbicide, is a potential harmful to human health due to its long‐term environmental persistence and bioaccumulation. The effects of chronic exposure to ATR on renal function in rats were evaluated in this research. Female Sprague–Dawley rats at 4 weeks of age were treated with different concentrations of ATR for 6 months. No significant differences in terms of renal functions were observed after ATR treatment. In histopathological examination of the kidney, Hematoxylin–Eosin staining indicated the development of degenerative changes in a dose‐dependent manner. The results revealed that ATR exposure leads to renal fibrosis and that activation of the Wnt/β‐catenin pathway plays a potential role in ATR‐related renal fibrosis. Levels of transforming growth factor (TGF)‐β and TGF‐β1 levels and the reactive oxygen species were significantly upregulated after ATR treatment. In conclusion, long‐term exposure to ATR could cause kidney fibrosis, which is the result of epithelial‐mesenchymal transition caused by inflammation and oxidative stress.
Acute generation of reactive oxygen species that induced by doxycycline pretreatment results in rapid cell death in polyphyllin G‐treated osteosarcoma cell lines
Authors: Li Yi‐An , Chen Hsuan‐Ying , Hsieh Cheng‐Pu , Chen Chiu‐Liang , Hung Shih‐Chieh , Huang Yi‐Fu 
Published: February 2023

AbstractPolyphyllin G, a pennogenyl saponin extracted from Paris polyphylla, has been shown to possess antitumor effects. In this study, we demonstrated that doxycycline, an antibiotic medicine, could significantly enhance the sensitivities of osteosarcoma cell lines to polyphyllin G. As the cells were pretreated with doxycycline at non‐toxic concentrations and then co‐exposed to polyphyllin G, this combination could induce a rapid cell death distinct from apoptosis. The non‐apoptotic cell death was characterized by a loss of integrity of plasma membrane without externalization of phosphatidyl serine. Furthermore, this combined treatment resulted in suppression of cell viability and colony‐forming ability, and increased the level of γ‐H2A.X, a critical marker for DNA damage, in osteosarcoma cell lines. When examining the underlying mechanism, it was revealed combination of polyphyllin G and doxycycline triggered an enhanced generation of reactive oxygen species (ROS), and up‐regulated mitochondrial oxidative stress within 0.5 h. Co‐administration of the ROS inhibitor NAC reversed the suppressed cell viability and colony‐forming ability, and abolished the increased level of γ‐H2A.X in the cells with the combined treatment, indicating that the enhanced ROS was involved in the anti‐proliferative effect of the combined treatment. Overall, the results demonstrated that doxycycline may function as chemosensitizers by inducing an acute and lethal ROS production to enhance cytotoxic of polyphyllin G in osteosarcoma cell lines, and the combined use of drugs may provide an alternative thinking for the development of new therapeutic agents.
Pharmacokinetics of tenvermectin in swine, a novel antiparasitic drug candidate—comparison with ivermectin
Authors: Li Guiyu , Cao Xingyuan , Liao Jianwei , Wei Yanming 
Published: February 2023

AbstractTenvermectin (TVM) is a novel 16‐membered macrolide compound isolated and purified from the fermentation broth of genetically engineered Streptomyces avermitilis strain MHJ1011. TVM and ivermectin were administered at the dose of 0.3 mg/kg body weight through a single subcutaneous injection route followed by plasma collectiom and analysis at different time intervals. Plasma concentrations of TVM and IVM were determined by high‐performance liquid chromatography with fluorescence detector. Pharmacokinetic analysis was completed using the non‐compartmental method with WinNonlin™ 6.4 software. TVM is rapidly absorbed after administration with peak plasma concentrations (Cmax, 9.78 ± 2.34 ng/ml) obtained within 6–22 h. AUC0‐last was 586.86 h·ng/ml ± 121.24 h·ng/ml. The mean elimination half‐life of TVM (T1/2λz) was 97.99 h ± 46.41 h. The T1/2λz of IVM was 146.59 h ± 22.26 h in the study. The present study showed that subcutaneous administration of TVM at 0.3 mg/kg body weight (BW) in swine is absorbed more rapidly than IVM in swine. Compared to the pharmacokinetic characteristics of IVM, there was little difference in the half‐life of TVM among different individuals. The data will contribute to refining the formulation and dosage regime for TVM administration.
Introduction
Authors: McHaffie M. W. 
Published: February 2023

AbstractThe introduction makes three points to frame this study. First, French legal-historical scholarship views warranty in terms of the garantie d’éviction, a contractual obligation that remains deeply indebted to terms and concepts drawn from Roman law. Second, warranty has also viewed largely as a thirteenth-century development, thought to reflect the emergence of the individual’s right to alienate property with relative freedom from restrictions imposed by kin and/or lords. Third, the role of lordship in giving shape to warranty has been severely neglected in French legal-historical scholarship, which differs sharply from how scholarship examining warranty in the Anglo-Norman realm has approached the subject. I lay out therefore the basic questions that run throughout the study, which ultimately concern how we understand the causality of legal change in the central Middle Ages.