bluuebunny/crossref_metadata_2025_split huggingface dataset:
Screening of superior anti‐osteoporotic flavonoids from Epimedii Folium with dual effects of reversing iron overload and promoting osteogenesis
Authors: Jiang Jun , He Jinjin , Xiao Shichang , Shenyuan Jiayi , Chen Tong , Pei Dan 
Published: June 2023

AbstractIron overload is a risk factor for postmenopausal osteoporosis (PMOP) and lowering iron levels to regulate the labile plasma iron is the preferred therapy. Icariin (ICA), baohuoside I (BHS) and icaritin (ICT) are three flavonoids obtained from Epimedii Folium that are efficient in facilitating osteogenesis. In this study, an active flavonoid with dual effects of reversing iron overload and promoting osteogenesis was screened based on pharmacokinetics, iron complexation properties and the potential to downregulate iron overload, reversing PMOP. As a result, the in vivo absorption of three compounds was ICA > ICT > BHS, while the exposure in muscle and bone was BHS > ICT > ICA. In vitro complexation showed that only ICT complexed with Fe (III) at a 1:1 ratio on 3‐OH and the ICT–Fe (III) complex (m/z 424.3750) was identified by UPLC–Q‐TOF–MS. In vivo dynamic detection also showed that the concentration of ICT–Fe (III) complexes varied with the concentration of ICT in plasma. The behavioral blunting and bone loss in zebrafish induced by Fe (III) were significantly reversed by ICT in a dose‐dependent manner. Pharmacokinetic–pharmacodynamic analysis showed that ICT was negatively correlated with serum ferritin and positively correlated with osteogenic markers including alkaline phosphatase, osteocalcin and osteoprotegerin. Bone loss in ovariectomized rats was significantly altered after ICT intervention, with reduced serum ferritin levels and improved osteogenic marker levels. These results demonstrated that ICT had favorable musculoskeletal penetration and iron complexation capability to shrink labile plasma iron, showing superior performance in anti‐PMOP through the dual effects of reversing iron overload and promoting osteogenesis.
Nerve to the zygomaticus major muscle: An anatomical study and surgical application to smile reconstruction
Authors: Yoshioka Nobutaka , Fernandez‐Miranda Juan C. 
Published: June 2023

AbstractSmile reconstruction using the branches that supply the zygomaticus major muscle as a motor source is an established procedure in facial reanimation surgery for facial paralysis. However, the anatomy of the nerve to the muscle remains unclear. Therefore, we herein examined the topographical anatomy of the nerve to the zygomaticus major muscle to obtain more detailed information on donor nerve anatomy. Preserved cadaver dissection was performed under a microscope on 13 hemifaces of 8 specimens. The branches that innervate the zygomaticus major muscle and their peripheral routes medial to the muscle were traced and examined. A median of four (ranges 2–4) branches innervated the zygomaticus major muscle. The proximal two branches (near the muscle origin) arose from the zygomatic branch, the second of which was the major branch. The distal branches (near the oral commissure) arose from the buccal branch or zygomaticobuccal plexus. The vertical distance from the caudal margin of the zygomatic arch to the major branch intersecting point was 19 ± 4.0 mm, while the horizontal distance parallel to the Frankfort plane was 29 ± 5.2 mm. The proximal two branches innervating the zygomaticus major muscle were detected in the majority of specimens. The anatomical findings obtained herein on the nerve to the zygomaticus major muscle will allow for more reliable donor selection in facial reanimation surgery.
The role of Improv in enhancement of Meaning in Life in youth: An explanatory sequential design
Authors: Sandhu Tarika , Sandhu Sargun 
Published: June 2023

Abstract“A global mental health crisis” was sparked by the pandemic, especially for the youth as it exposed them to serious existential crises related to grief, loss, death and dying, deep psychological insecurities, etc. Additionally, this crisis came as a call for greater meaning in the personal and professional lives of youth. To deal with these issues in youth, Improv intervention is being used as an effective contemporary psychological technique to improve holistic perspective‐taking. This pilot study investigated the efficacy of Improv intervention in enhancing Meaning in Life in youth using an explanatory sequential design. The sample comprised 80 youth (age range 18–25 years). The study was carried out in two phases—quantitative and qualitative. In the quantitative phase, a randomised control trial design was used to assess the efficacy of the intervention; this was followed by semistructured interviews to identify crucial themes that highlighted participants’ perceptions of Meaning in Life and the benefits of the intervention. Results revealed potential usefulness of Improv in Meaning enhancement.
Synthesis and Antitumor Activity of Panaxadiol Pyrazole and Isooxazole Derivatives
Authors: Dai Rongke , Wei Xinrui , Li Tao , Lee Jungjoon , Gao Jiaming , Chen Yu , Su Guangyue , Zhao Yuqing 
Published: June 2023

AbstractIn this study, we designed and synthesized 19 nitrogen‐containing heterocyclic derivatives of panaxadiol (PD). We first reported the antiproliferative activity of these compounds against four different tumor cells. The results of the MTT assay showed that the PD pyrazole derivative (compound 12b) had the best antitumor activity and could significantly inhibit the proliferation of four tested tumor cells. For A549 cells, the IC50 value was as low as 13.44±1.23 μM. Western blot analysis showed that the PD pyrazole derivative was a bifunctional regulator. On the one hand, it can down‐regulate the expression of HIF‐1α by acting on PI3 K/AKT signaling pathway in A549 cells. On the other hand, it can induce the decrease of CDKs protein family and E2F1 protein expression levels, thus playing a crucial role in cell cycle arrest. According to the results of molecular docking, we found that multiple hydrogen bonds were formed between the PD pyrazole derivative and two related proteins, and the docking score of the derivative was also significantly higher than that of the crude drug. In summary, the study of the PD pyrazole derivative laid a foundation for the development of ginsenoside as an antitumor agent.
Spectroscopic and Computational Study of the Organocatalytic Umpolung of Bromocations: An Accelerated Stereoselective Dibromination Protocol**
Authors: Panda Jeetendra , Sahoo Jigyansa , Dutta Juhi , Biswal Himansu Sekhar , Sahoo Gokarneswar 
Published: June 2023

AbstractHerein, organocatalytically achieved polarity reversal of cationic bromine is presented. The proven bromocation source N‐bromosuccinimide (NBS) was converted to a superior bromoanion reagent by H/Br exchange with a secondary amine, substantiated with spectroscopic and computational evidence. The concept has further been used in a successfully accelerated organocatalyzed dibromination of olefins in a non‐hazardous, commercially viable process with a wide range of substrate scope. The reactivity of key entities observed through NMR kinetics and reaction acceleration using only 10 mol % of catalyst account for its major success. The nucleophilicity of the bromoanion was found to be superior in comparison to other nucleophiles such as MeOH and H2O also the protocol dominates over the competing allylic bromination reaction.
Structure Formation in an Ionic Liquid Wetting Layer: A Combined STM, IRAS, DFT and MD Study of [C2C1Im][OTf] on Au(111)
Authors: Bühlmeyer Hanna , Hauner Jonas , Eschenbacher Roman , Steffen Julien , Trzeciak Simon , Taccardi Nicola , Görling Andreas , Zahn Dirk , Wasserscheid Peter , Libuda Jörg 
Published: June 2023

AbstractIn a solid catalyst with ionic liquid layer (SCILL), ionic liquid (IL) coatings are used to improve the selectivity of noble metal catalysts. To understand the origins of this selectivity control, we performed model studies by surface science methods in ultrahigh vacuum (UHV). We investigated the growth and thermal stability of ultrathin IL films by infrared reflection absorption spectroscopy (IRAS). We combined these experiments with scanning tunneling microscopy (STM) to obtain information on the orientation of the ions, the interactions with the surface, the intermolecular interactions, and the structure formation. Additionally, we performed DFT calculations and molecular dynamics (MD) simulations to interpret the experimental data. We studied the IL 1‐ethyl‐3‐methylimidazolium trifluoromethanesulfonate [C2C1Im][OTf] on Au(111) surfaces. We observe a weakly bound multilayer of [C2C1Im][OTf], which is stable up to 390 K, while the monolayer desorbs at ∼450 K. [C2C1Im][OTf] preferentially adsorbs at the step edges and elbows of the herringbone reconstruction of Au(111). The anion adsorbs via the SO3 group with the molecular axis perpendicular to the surface. At low coverage, the [C2C1Im][OTf] crystallizes in a glass‐like 2D phase with short‐range order. At higher coverage, we observe a phase transition to a 6‐membered ring structure with long‐range order.
Comprehensive Study and Development of a Metal‐Free and Mild Nucleophilic Trifluoromethoxylation
Authors: Bonnefoy Clémence , Panossian Armen , Hanquet Gilles , Leroux Frédéric R. , Toulgoat Fabien , Billard Thierry 
Published: June 2023

AbstractAmong the general interest in fluorinated compounds, trifluoromethoxylated molecules play a specific role. However, despite this interest, the development of efficient reagents to perform trifluoromethoxylation reactions remains a challenge. Here, 2,4‐dinitro‐trifluoromethoxybenzene (DNTFB) is used as a trifluoromethoxylating reagent to perform nucleophilic substitution under mild metal‐free conditions with different leaving groups, including direct dehydroxytrifluoromethoxylation. A mechanistic study rationalized the reaction and subsequently proposed only three reaction conditions, depending on the reactivity of the starting substrates.
Gold(I)‐Mediated Cyclizations of Triene‐Yne Systems: An Easy Access to Cyclopenta‐Fused Anthracenes
Authors: Saatlo Rebeka Eshagh , Matiba Jan P. , Rudolph Matthias , Rominger Frank , Hashmi A. Stephen K. 
Published: June 2023

AbstractThe direct synthesis of cyclopenta‐fused anthracenes (CP‐anthracenes) through a gold(I)‐catalyzed cyclization reaction of easily available triene‐yne systems bearing a benzofulvene substructure, is reported. The targets are of great interest due to the potential use as organic materials and the preparation of these compounds is gaining huge importance. The applied starting materials are readily available through a three‐step synthesis, which further contributes to the advantages of this route. In addition, UV‐Vis and fluorescent spectra of the obtained CP‐anthracenes were recorded.
One‐Pot Synthesis of Helical Azaheptalene and Chiroptical Switching of an Isolable Radical Cation**
Authors: Nishimura Yuta , Harimoto Takashi , Suzuki Takanori , Ishigaki Yusuke 
Published: June 2023

AbstractA nitrogen‐centered heptalene, azaheptalene, was designed as a representative of a new class of redox‐responsive molecules with a large steric strain that originates from the adjacent seven‐membered rings. The pentabenzo derivative of azaheptalene was efficiently synthesized by a palladium‐catalyzed one‐pot reaction of commercially available reagents. Bromination led to mono‐ and dibrominated derivatives, the latter of which is interconvertible with isolable radical cation species exhibiting near‐infrared absorption. Since the azaheptalene skeleton shows configurationally stable helicity with a large torsion angle, enantiomers could be successfully separated. Thus, optically pure azaheptalenes with P‐ or M‐helicity showed strong chiroptical properties (|gabs|≥0.01), which could be changed by an electric potential.
Wasserstoff im Energiesystem der Zukunft
Authors: Ausfelder Florian , Kundler Isabel 
Published: June 2023

AbstractGroße Hoffnungen für mehr Klimaschutz mit dem Green Deal liegen auf Wasserstoff als wichtigem Baustein der Energiewende. Wie kann die Wasserstoffwirtschaft der Zukunft aussehen? Welche Mengen sind erforderlich und welche Infrastrukturen werden benötigt? Wie können in Zukunft nachhaltige Grundstoffe erzeugt werden? Antworten darauf gibt dieser Trendbericht.
Der Weg zur verteilten Anwendung
Authors: Gaus Peer Michael 
Published: June 2023

AbstractAm Markt gibt es viele speicherprogrammierbare Steuerungen (SPS), Sensoren und Komponenten unterschiedlicher Hersteller, die in den Anlagen der Prozessindustrie zum Einsatz kommen. Mit dem O‐PAS‐Standard steht eine herstellerneutrale Referenzarchitektur zur Verfügung, die den modularen Aufbau skalierbarer, interoperabler und sicherer Prozessautomatisierungssysteme ermöglicht.
Lead free CsSn0.5Ge0.5I3 perovskite solar cell with different layer properties via SCAPS‐1D simulation
Authors: Liu Xiaoya , Li Tong , Hao Liangsheng , Wu Jiang , Ling Yang , Fu Zaiguo , Zhou Fanghe , Zhang Xin , Liu Yihao , Zhang Cheng 
Published: June 2023

AbstractOrganic–inorganic halide perovskite solar cells (PSCs) have been extensively studied due to their simple fabrication methods and obvious device efficiency advantages. In this work, the perovskite CsSn0.5Ge0.5I3 is used as the light absorption layer, which is doped with Ge2+ in CsSnI3 to improve its stability. The polymers of 3‐hexylthiophene (P3HT) with excellent optoelectronic properties and low price, and SnO2 with high electron extraction ability is selected as charge transport layers. Based on these, a novel PSC structure (FTO/SnO2/IDL1/CsSn0.5Ge0.5I3/IDL2/P3HT/Au) has been simulated via solar cell capacitor simulator (SCAPS‐1D). The PSC performance is optimized by adjusting a series of parameters, including the layer thickness, defect density, electron affinity potential energy, and operating temperature, and so forth. The results show that the PSC defects are passivated by adjusting the appropriate parameters, and the final optimized open circuit voltage (VOC) is 1.08 V, short‐circuit current density (JSC) is 27.37 mA/cm2, fill factor (FF) is 83.32%, while the power conversion efficiency (PCE) is increased from the initial 10.89% to 24.63%, which provides theoretical reference for experiments and new ideas for the preparation and development of efficient and environmentally friendly PSCs. Finally, the effect of different metal cathodes with and without hole transport layer (HTL) on PSC performance is compared. The PSCs without HTL are more dependent on battery cathodes, which provided a way to replace precious metals with other electrode materials.
Design and Synthesis of Multi‐Functional Polymeric Binders for High‐Performance Lithium‐Sulfur Batteries Based on Ring Opening Polymerization of Thiolactone†
Authors: Zhao Yuqing , Geng Shiqun , Yan Gaojie , Qu Xiongwei , Ji Haifeng , Feng Yi , Zhang Xiaojie 
Published: June 2023

Comprehensive SummaryThe application of high‐performance lithium‐sulfur (Li‐S) batteries is severely influenced by the “shuttle effect” of polysulfides and the volume change of sulfur cathode. Herein, two different polymeric binders SOT‐A and SOT‐C with three‐dimensional network structure containing polar groups (sulfhydryl groups, amide groups and amino groups) are synthesized by the nucleophilic ring‐opening polymerization (ROP) of thiolactone with amino groups. The network structure formed by hydrogen bonds and functional groups can resist the volume change of the cathode. The sulfhydryl groups and the S—S bond formed by oxidative dehydrogenation of sulfhydryl group participate in the charge and discharge process of the battery as active materials, which improves the discharge specific capacity of the battery. Polar functional groups have strong chemisorption on polysulfides and effectively inhibit the “shuttle effect”. The electrochemical performances of Li‐S batteries containing SOT‐A and SOT‐C binders are significantly enhanced. At 1 C rate, the batteries achieve initial discharge specific capacity of 871 and 837 mAh·g–1, respectively, and have 83.9% and 62.5% capacity retention after 500 cycles.
Diagnosis of thoracic SMARCA4‐deficient undifferentiated tumor in cytology
Authors: Kezlarian Brie , Montecalvo Joseph , Bodd Francis M. , Chang Jason C. , Riedel Elyn , White Charlie , Rekhtman Natasha , Sauter Jennifer L. 
Published: June 2023

AbstractIntroductionAlthough alterations in SMARCA4‐deficient occur in non–small cell lung carcinoma (SD‐NSCLC), thoracic SMARCA4‐deficient undifferentiated tumor (TSDUT) is recognized as a distinct entity in the 2021 World Health Organization Classification of Thoracic Tumors because of unique morphologic, immunophenotypic and molecular features, and worse survival compared with SD‐NSCLC. Cytologic diagnosis of TSDUT is clinically important because of its aggressive behavior and because it is often diagnosed by fine‐needle aspiration because TSDUTs are usually unresectable at presentation. Here, we identify cytologic features that can be used for recognition of TSDUT and distinction from SD‐NSCLC.Materials and MethodsCytomorphologic features were investigated in cytology specimens from patients with TSDUT (n = 11) and compared with a control group of patients with SD‐NSCLC (n = 20).ResultsThe presence of classic rhabdoid morphology, at least focally, was entirely specific for TSDUT (n = 6, 55%) compared with SD‐NSCLC (n = 0) in this study. TSDUT more frequently showed tumor necrosis (n = 11, 100% vs. n = 8, 40%; p = .001), dominant single‐cell pattern on aspirate smears or touch preparation slides (n = 8 [of 9], 80% vs. n = 3, 15%; p = .010), nuclear molding (n = 5, 45% vs. n = 1, 5%; p = .013), and indistinct cell borders (n = 11, 100% vs. n = 5, 25%; P < .001) compared with SD‐NSCLC, respectively.ConclusionsCytomorphologic features occurring more frequently in TSDUT include tumor necrosis, dominant single‐cell pattern, nuclear molding indistinct cell borders, and focal rhabdoid cells. Presence of these features in a cytology specimen of an undifferentiated tumor, particularly in a patient with a thoracic mass, should raise suspicion for TSDUT and prompt appropriate ancillary workup.
Visible‐light‐driven Oxygen Vacancy and Carbon Doping of C@TiO2‐x Photocatalyst for Enhanced Pollutants Degradation Performance
Authors: Ding Yifan , Qin Fanghong , Guo Jialin , Gong Danming , Li Qiufei , Wang Xiangyi , Tan Xiuniang , Liu Haibo , Huang Zaiyin 
Published: June 2023

AbstractOxygen Vacancy (OVs) and carbon doping of the photocatalyst body will significantly enhance the photocatalytic efficiency. However, synchronous regulation of these two aspects is challenging. In this paper, a novel C@TiO2‐x photocatalyst was designed by coupling the surface defect and doping engineering of titania, which can effectively remove rhodamine B (RhB) and has a relatively high performance with wide pH range, high photocatalytic activity and good stability. Within 90 minutes, the photocatalytic degradation rate of RhB by C@TiO2‐x (94.1 % at 20 mg/L) is 28 times higher than that of pure TiO2. Free radical trapping experiments and electron spin resonance techniques reveal that superoxide radicals (⋅O2−) and photogenerated holes (h+) play key roles in the photocatalytic degradation of RhB. This study demonstrates the possibility of regulating photocatalysts to degrade pollutants in wastewater based on an integrated strategy.
An assessment of the interaction between sucrose content and seed quality traits in soybeans
Authors: Escamilla Diana M. , Xavier Alencar , Vuong Tri D. , Nguyen Henry T. , Rainey Katy Martin 
Published: June 2023

AbstractSoybean (Glycine max [L.] Merr.) cultivars with increased protein and sucrose content are desirable to enhance soybean meal quality; however, the complex interactions between soybean traits, mainly trade‐offs, make the plant breeders’ job challenging because traits cannot simultaneously be enhanced. Information about the interactions of seed carbohydrate composition with other seed traits remains inconclusive and contradictory; thus, this study explored the interactions among soluble carbohydrate content with other seed traits, flowering time, and maturity in a diverse panel of 1096 soybean accessions from the USDA Soybean Germplasm Collection. Trait interactions were explored through phenotypic, additive genetic, and residual correlations. We did not identify traits that can be useful in the indirect selection of sucrose. Additive genetic correlations of sucrose with flowering and maturity time suggest that obtaining cultivars with high sucrose content might be easier in earlier flowering and later maturing cultivars. Sucrose correlations with other seed traits were primarily driven by their additive genetic correlations, which make them more stable, whereas correlations of raffinose with oil and maturity were population and environment specific. The two main obstacles to enhancing soymeal quality are the trade‐offs of protein with sucrose and oil.
Genotype by environment interaction characterization and its modeling with random regression to climatic variables in two rice breeding populations
Authors: Rebollo Inés , Aguilar Ignacio , Pérez de Vida Fernando , Molina Federico , Gutiérrez Lucía , Rosas Juan Eduardo 
Published: June 2023

AbstractGenotype by environment interaction (GEI) is one of the main challenges in plant breeding. A complete characterization of it is necessary to decide on proper breeding strategies. Random regression models (RRMs) allow a genotype‐specific response to each regressor factor. RRMs that include selected environmental variables represent a promising approach to deal with GEI in genomic prediction. They enable to predict for both tested and untested environments, but their utility in a plant breeding scenario remains to be shown. We used phenotypic, climatic, pedigree, and genomic data from two public subtropical rice (Oryza sativa L.) breeding programs; one manages the indica population and the other manages the japonica population. First, we characterized GEI for grain yield (GY) with a set of tools: variance component estimation, mega‐environment (ME) definition, and correlation between locations, sowing periods, and MEs. Then, we identified the most influential climatic variables related to GY and its GEI and used them in RRMs for single‐step genomic prediction. Finally, we evaluated the predictive ability of these models for GY prediction in tested and untested years and environments using the complete dataset and within each ME. Our results suggest large GEI in both populations while larger in indica than in japonica. In indica, early sowing periods showed crossover (i.e., rank‐change) GEI with other sowing periods. Climatic variables related to temperature, radiation, wind, and precipitation affecting GY were identified and differed in each population. RRMs with selected climatic covariates improved the predictive ability in both tested and untested years and environments. Prediction using the complete dataset performed better than predicting within each ME.