bluuebunny/crossref_metadata_2025_split huggingface dataset:
Bullying involvement and the transition to high school: A brief report
Authors: Vaillancourt Tracy , Brittain Heather , Farrell Ann H. , Krygsman Amanda , Vitoroulis Irene 
Published: March 2023

AbstractSchool transitions are common educational experiences for children and adolescents and many of them worry about being bullied during this type of major life‐changing point. In a sample of 701 Canadians assessed yearly from grade 5 (age 10) to grade 12 (age 18), we examined heterogeneous patterns of bullying involvement while statistically accounting for the transition into high school. Gender differences were also examined. Results indicated that on average, bullying victimization declined over time with a significant drop noted between grade 8 and grade 9 (the transition into high school), with few differences between girls and boys. Bullying perpetration also declined for most students (no gender differences), with a notable drop found at the transition into high school. However, for a subset of adolescents, the transition into high school was accompanied by an increase in bullying perpetration. These varied experiences highlight the need to model heterogeneity when examining the impact of school transitions on bullying, a neglected focus of inquiry to date. Our results suggest that moving into high school is beneficial for most adolescents involved in bullying, but not for all.
3D Biomimetic Models to Reconstitute Tumor Microenvironment In Vitro: Spheroids, Organoids, and Tumor‐on‐a‐Chip
Authors: Li Wenxiu , Zhou Zhihang , Zhou Xiaoyu , Khoo Bee Luan , Gunawan Renardi , Chin Y. Rebecca , Zhang Liang , Yi Changqing , Guan Xinyuan , Yang Mengsu 
Published: March 2023

AbstractDecades of efforts in engineering in vitro cancer models have advanced drug discovery and the insight into cancer biology. However, the establishment of preclinical models that enable fully recapitulating the tumor microenvironment remains challenging owing to its intrinsic complexity. Recent progress in engineering techniques has allowed the development of a new generation of in vitro preclinical models that can recreate complex in vivo tumor microenvironments and accurately predict drug responses, including spheroids, organoids, and tumor‐on‐a‐chip. These biomimetic 3D tumor models are of particular interest as they pave the way for better understanding of cancer biology and accelerating the development of new anticancer therapeutics with reducing animal use. Here, the recent advances in developing these in vitro platforms for cancer modeling and preclinical drug screening, focusing on incorporating hydrogels are reviewed to reconstitute physiologically relevant microenvironments. The combination of spheroids/organoids with microfluidic technologies is also highlighted to better mimic in vivo tumors and discuss the challenges and future directions in the clinical translation of such models for drug screening and personalized medicine.
Distribution pattern of major crops and their cultivation intensity indicated by soil phosphorus concentrations in Europe
Authors: Szigeti Nóra , Hermann Tamás , Juhos Katalin , Tóth Gergely 
Published: March 2023

AbstractThe sowing area and yield of crops are primarily determined by climatic suitability and modified by terrain conditions. This study presents the actual sowing area of 10 major crops in Europe and reveals the spatial pattern of available soil phosphorus (P) concentrations between and within the sowing areas of the crops, based on the Land Use/Land Cover Area Frame Survey (LUCAS) database. A great variance in cropping pattern over Europe was observed, especially for crops with a broad climatic tolerance. Results show significant differences between soil phosphorus concentrations under different agricultural crops, indicating the differences in management intensities of major crops. A strong relationship between high yields and P‐fertilizer use was found, as indicated by soil P concentration. In the context of environmental zones, P‐concentration values were higher in northern zones, medium in the zones in central Europe, and lower in the Mediterranean zones. The more suitable the climate is for growing crops, the more it pays to apply P fertilizers. Consequently, soil P‐concentration is a good indicator of crop cultivation intensity, land productivity, P‐fertilizer use, and the total P demand of plants. Among the most commonly cultivated crops, maize seems to be the most dependent crop for the level of P‐concentration of soil or the P inputs. For more sustainable P use in Europe, further research is needed to calculate how the P‐requirements of yields compare to the P‐fertilizer use in the case of different crop types.
Athletes in sporting events with upper‐body gripping movements have greater handgrip strength than those in sporting events that prioritize the lower body
Authors: Abe Takashi , Kohmura Yoshimitsu , Suzuki Koya , Someya Yuki , Loenneke Jeremy P. , Machida Shuichi , Naito Hisashi 
Published: March 2023

AbstractObjectiveEvidence suggests that acquiring a high level of handgrip strength early in life and maintaining that strength throughout life may be important for health. In addition, it is thought that sports activities performed during the developmental period are effective in improving handgrip strength, but it is unknown what types of sports are more effective. As a first step, we conducted a cross‐sectional study to compare handgrip strength across different sports (upper‐body gripping sports vs. lower body) in early adulthood.MethodsWe used the Juntendo Fitness Plus Study data from 1973 to 2018 and selected two types of sporting events with matching physiques (soccer, baseball, and kendo) but different degrees of gripping. Data on 7344 male first‐year sports university students included 1127 soccer, 297 Kendo, and 698 baseball players.ResultsThose in the lower body‐only (soccer) sports had −3.78 (95% CI: −4.27, −3.29) kg lower handgrip strength than those in the lower + upper (kendo and baseball). Comparing each individual sport found that each sport was different from each other with Kendo > Baseball > Soccer (between each sport, p < .001). In addition, the difference between sports has become greater across time.ConclusionsIn early adulthood, handgrip strength is greatest in those participating in sports with upper‐body movements compared to those participating in sports that mainly involved lower‐body movements. The three sports we selected are natural activities that do not directly train handgrip strength. Therefore, sport may be one potential method to improve low handgrip strength in children/adolescents during the developmental period.
Breakpoint analysis for cytogenetically balanced translocation revealed unexpected complex structural abnormalities and suggested the position effect for MEF2C
Authors: Tamura Takeaki , Shimojima Yamamoto Keiko , Imaizumi Taichi , Yamamoto Hisako , Miyamoto Yusaku , Yagasaki Hiroshi , Morioka Ichiro , Kanno Hitoshi , Yamamoto Toshiyuki 
Published: March 2023

AbstractMany disease‐causing genes have been identified by determining the breakpoints of balanced chromosomal translocations. Recent progress in genomic analysis has accelerated the analysis of chromosomal translocation‐breakpoints at the nucleotide level. Using a long‐read whole‐genome sequence, we analyzed the breakpoints of the cytogenetically balanced chromosomal translocation t(5;15)(q21;26.3), which was confirmed to be of de novo origin, in a patient with a neurodevelopmental disorder. The results showed complex rearrangements with seven fragments consisting of five breakpoint‐junctions (BJs). Four of the five BJs showed microhomologies of 1–3‐bp, and only one BJ displayed a signature of blunt‐end ligation, indicating chromothripsis as the underlying mechanism. Although the BJs did not disrupt any disease‐causing gene, the clinical features of the patient were compatible with MEF2C haploinsufficiency syndrome. Complex rearrangements were located approximately 2.5‐Mb downstream of MEF2C. Therefore, position effects were considered the mechanism of the occurrence of MEF2C haploinsufficiency syndrome.
Engineering an Oxygen‐Binding Protein for Photocatalytic CO2Reductions in Water
Authors: Deng Yunling , Dwaraknath Sudharsan , Ouyang Wenhao O. , Matsumoto Cory J. , Ouchida Stephanie , Lu Yi 
Published: March 2023

AbstractWhile native CO2‐reducing enzymes display remarkable catalytic efficiency and product selectivity, few artificial biocatalysts have been engineered to allow understanding how the native enzymes work. To address this issue, we report cobalt porphyrin substituted myoglobin (CoMb) as a homogeneous catalyst for photo‐driven CO2to CO conversion in water. The activity and product selectivity were optimized by varying pH and concentrations of the enzyme and the photosensitizer. Up to 2000 TON(CO) was attained at low enzyme concentrations with low product selectivity (15 %), while a product selectivity of 74 % was reached by increasing the enzyme loading but with a compromised TON(CO). The efficiency of CO generation and overall TON(CO) were further improved by introducing positively charged residues (Lys or Arg) near the active stie of CoMb, which demonstrates the value of tuning the enzyme secondary coordination sphere to enhance the CO2‐reducing performance of a protein‐based photocatalytic system.
Decrypting the Controlled Product Selectivity over Ag−Cu Bimetallic Surface Alloys for Electrochemical CO2 Reduction
Authors: Wei Daixing , Wang Yiqing , Dong Chung‐Li , Zhang Zhengqi , Wang Xinyu , Huang Yu‐Cheng , Shi Yuchuan , Zhao Xiaoli , Wang Jialin , Long Ran , Xiong Yujie , Dong Fan , Li Mingtao , Shen Shaohua 
Published: March 2023

AbstractElectrochemical CO2 reduction reaction (ECO2RR) with controlled product selectivity is realized on Ag−Cu bimetallic surface alloys, with high selectivity towards C2 hydrocarbons/alcohols (≈60 % faradaic efficiency, FE), C1 hydrocarbons/alcohols (≈41 % FE) and CO (≈74 % FE) achieved by tuning surface compositions and applied potentials. In situ spectral investigations and theoretical calculations reveal that surface‐composition‐dependent d‐band center could tune *CO binding strengths, regulating the *CO subsequent reaction pathways and then the product selectivity. Further adjusting the applied potentials will alter the energy of participated electrons, which leads to controlled ECO2RR selectivity towards desired products. A predominant region map, with an indicator proposed to evaluate the thermodynamic predominance of the *CO subsequent reactions, is then provided as a reliable theoretical guidance for the controllable ECO2RR product selectivity over bimetallic alloys.
Structurally Simple Osmium(II) Polypyridyl Complexes as Photosensitizers for Photodynamic Therapy in the Near Infrared**
Authors: Mani Asma , Feng Tao , Gandioso Albert , Vinck Robin , Notaro Anna , Gourdon Lisa , Burckel Pierre , Saubaméa Bruno , Blacque Olivier , Cariou Kevin , Belgaied Jamel‐Eddine , Chao Hui , Gasser Gilles 
Published: March 2023

AbstractFive osmium(II) polypyridyl complexes of the general formula [Os(4,7‐diphenyl‐1,10‐phenanthroline)2L]2+ were synthesized as photosensitizers for photodynamic therapy by varying the nature of the ligand L. Thanks to the pronounced π‐extended structure of the ligands and the heavy atom effect provided by the osmium center, these complexes exhibit a high absorption in the near‐infrared (NIR) region (up to 740 nm), unlike related ruthenium complexes. This led to a promising phototoxicity in vitro against cancer cells cultured as 2D cell layers but also in multicellular tumor spheroids upon irradiation at 740 nm. The complex [Os(4,7‐diphenyl‐1,10‐phenanthroline)2(2,2′‐bipyridine)]2+ was found to be the most efficient against various cancer cell lines, with high phototoxicity indexes. Experiments on CT26 tumor‐bearing BALB/c mice also indicate that the OsII complexes could significantly reduce tumor growth following 740 nm laser irradiation. The high phototoxicity in the biological window of this structurally simple complex makes it a promising photosensitizer for cancer treatment.
Design of Drug Efficacy Guided by Free Energy Simulations of the β2‐Adrenoceptor
Authors: Panel Nicolas , Vo Duc Duy , Kahlous Nour Aldin , Hübner Harald , Tiedt Stephanie , Matricon Pierre , Pacalon Jody , Fleetwood Oliver , Kampen Stefanie , Luttens Andreas , Delemotte Lucie , Kihlberg Jan , Gmeiner Peter , Carlsson Jens 
Published: March 2023

AbstractG‐protein‐coupled receptors (GPCRs) play important roles in physiological processes and are modulated by drugs that either activate or block signaling. Rational design of the pharmacological efficacy profiles of GPCR ligands could enable the development of more efficient drugs, but is challenging even if high‐resolution receptor structures are available. We performed molecular dynamics simulations of the β2 adrenergic receptor in active and inactive conformations to assess if binding free energy calculations can predict differences in ligand efficacy for closely related compounds. Previously identified ligands were successfully classified into groups with comparable efficacy profiles based on the calculated shift in ligand affinity upon activation. A series of ligands were then predicted and synthesized, leading to the discovery of partial agonists with nanomolar potencies and novel scaffolds. Our results demonstrate that free energy simulations enable design of ligand efficacy and the same approach can be applied to other GPCR drug targets.
Enantioselective Reductive (Hetero)Arylation of Cyclic N‐Sulfonyl Imines by Cobalt Catalysis
Authors: Xiao Jieshuai , Wang Minyan , Yin Xuwen , Yang Shuo , Gu Pei , Lv Xueli , Zhao Yue , Shi Zhuangzhi 
Published: March 2023

AbstractTransition‐metal‐catalyzed enantioselective addition of aryl organometallic reagents to imines has emerged as one of the most powerful tools for the formation of optically active diarylmethylamines. Here, we report the first asymmetric reductive (hetero)arylations of imines using aryl and heteroaryl halides enabled by a chiral cobalt‐bisphosphine catalyst. This approach shows good functional group compatibility and complements the reported strategy without use of organometallic reagents. Mechanistic investigations supported that aryl‐cobalt, instead of an arylzinc reagent, was formed in situ in this reductive aryl‐addition event.
Nachhaltiger Eisen‐Photokatalysator auf Holzbasis für vielfältige Anwendungen mit Sonnenlicht: Wasseraufbereitung und radikalische Photopolymerisation
Authors: Guo Xiaolin , Zhao Xinpeng , Luo Xiongfei , Pang Yulian , Tian Bing , Liu Shouxin , Li Shujun , Li Jian , Strehmel Bernd , Chen Zhijun 
Published: March 2023

AbstractDurch Behandlung von Holz und Eisenoxid wurde ein nachhaltiger Photokatalysator für vielfältige Verwendungzwecke hergestellt, welcher demethyliertes Lignin (Fe3O4@D‐wood) enthält. Die Charakterisierung erfolgte mittels XRD, UV/Vis, Photostromunterschungen und elektrochemischen Messungen. Dieses Material wurde zum Gegenstand photokatalytischer Untersuchungen für die Wasseraufbereitung und die Materialsynthese mittels radikalischer Photopolymerisation. Die Bestrahlung vonFe3O4@D‐woodmit künstlichem Sonnenlicht zeigte eine verbesserte Aktivität bei der photochemischen Oxidation von organischen Schadstoffen in Gegenwart von H2O2. Die effiziente Erzeugung reaktiver Radikale ermöglichte bei diesem System auch die Photopolymerisation. Hier können Radikale, die auf reaktiven Sauerstoffspezies (ROS) basieren und in dem katalytischen Zyklus erzeugt werden, als die dominierenden Spezies zur Initiierung der radikalischen Polymerisation angesehen werden. Eine Mischung ausUDMAundTPGDAzeigte eine gute Reaktivität mit Cumolhydroperoxid (CHP). Der für die Wasseraufbereitung verwendete Photokatalysator ermöglicht die Wiederverwendung für die Photopolymerisation.
Palladium‐Catalyzed Direct Carbonylation of Bromoacetonitrile to Synthesize 2‐Cyano‐N‐acetamide and 2‐Cyanoacetate Compounds
Authors: Bao Zhi‐Peng , Wu Xiao‐Feng 
Published: March 2023

AbstractNitrile compounds containing ester and amide groups are important functionalized chemicals in synthetic and medicinal chemistry. In this article, an efficient and convenient palladium‐catalyzed carbonylative procedure toward 2‐cyano‐N‐acetamide and 2‐cyanoacetate compounds has been developed. The reaction proceeds under mild conditions via radical intermediate which is suitable for late‐stage functionalization. Gram‐scale experiment was performed successfully under low catalyst loading and gave the target product in excellent yield. Additionally, this transformation can be performed under atmospheric pressure and provide alternative routes to 7 drug precursors.
Polydopamine as a Visible‐Light Photosensitiser for Photoinitiated Polymerisation
Authors: Bailey Christopher G. , Nothling Mitchell D. , Fillbrook Lucy L. , Vo Yen , Beves Jonathon E. , McCamey Dane R. , Stenzel Martina H. 
Published: March 2023

AbstractPolydopamine (PDA) is a synthetic model for melanin and has a wide range of opto‐electronic properties that underpin its utility in applied and biological settings, from broadband light absorbance to possessing stable free radical species. Here, we show that PDA free radicals are photo‐responsive under visible light irradiation, enabling PDA to serve as a photo‐redox catalyst. Steady‐state and transient electron spin resonance spectroscopy reveals a reversible amplification in semiquinone radical population within PDA under visible light. This photo‐response modifies the redox potential of PDA and supports sensitisation of exogenous species via photoinduced electron transfer (PET). We demonstrate the utility of this discovery by employing PDA nanoparticles to photosensitise a common diaryliodonium photoinitiator and initiate free‐radical polymerisation (FRP) of vinylic monomers. In situ 1H nuclear magnetic resonance spectroscopy reveals an interplay between PDA‐driven photosensitising and radical quenching during FRP under blue, green, and red light. This work provides crucial insights into the photoactive free radical properties of melanin‐like materials and reveals a promising new application for polydopamine as a photosensitiser.
Single‐Benzene Dual‐Emitters Harness Excited‐State Antiaromaticity for White Light Generation and Fluorescence Imaging
Authors: Kim Younghun , Kim Heechan , Son Jung Bae , Filatov Michael , Choi Cheol Ho , Lee Nam Ki , Lee Dongwhan 
Published: March 2023

AbstractMolecular emitters simultaneously generating light at different wavelengths have wide applications. With a small molecule, however, it is challenging to realize two independent radiative pathways. We invented the first examples of dual‐emissive single‐benzene fluorophores (SBFs). Two emissive tautomers are generated by synthetic modulation of the hydrogen bond acidity, which opens up pathways for excited‐state proton transfer. White light is produced by a delicate balance between the energy and intensity of the emission from each tautomer. We show that the excited‐state antiaromaticity of the benzene core itself dictates the proton movements driving the tautomer equilibrium. Using this simple benzene platform, a fluorinated SBF was synthesized with a record high solubility in perfluorocarbon solvents. White light‐emitting devices and multicolor imaging of perfluorocarbon nanodroplets in live cells demonstrate the practical utility of these molecules.
Electrochemical Reactors Enable Divergent Site Selectivity in the C−H Carboxylation of N‐Heteroarenes
Authors: Wang Peng‐Zi , Xiao Wen‐Jing , Chen Jia‐Rong 
Published: March 2023

AbstractCatalytic and switchable C−H functionalization of N‐heteroarenes under easily tunable conditions is a robust but challenging tool for the construction of biologically relevant compounds. Recently, a general electrochemical strategy has been developed for the direct C−H carboxylation of N‐heteroarenes with CO2, and by simply choosing different types of cell setups, carboxylated products are furnished with excellent and tunable site selectivity. This study also paves the way for regulating the reactivity modes in electrochemical synthesis.
Towards Automated Microfluidic‐based Platforms: Optimizing Hydrogenation Efficiency of Nitrobenzene through π–π Interactions in Pd Nanoparticles on Covalent Organic Frameworks
Authors: Deng Juan , Cai Yueji , Chen Jingsheng , Wang Qing , Lu Jun , Chen Xiao , Zhang Wuxiang , Wu Kangjie , Wang Weikang , Wei Lingfei , Yang Fu , Yuan Aihua , Pang Huan , Yu Chao 
Published: March 2023

AbstractMicroplatform with timed automata has been leveraged for guiding the preparation of molecules, whereas the requirement of handling expertise and sophisticated instrument is inevitable in combination with heterogeneous catalysis. Here we report a microfluidic‐based autolab with open structures, called Put & Play Automated Microplatform (PPAM). It shows the efficient hydrogenation performance of palladium nanoparticles on the triphenylene‐based covalent organic frameworks (Pd/TP‐COFs) in which the π–π interactions of TP rings in the vicinity of Pd is optimized by easy change‐over of catalyst and simple tuning of reactor geometries in PPAM. Using experiment/simulation of the Pd/TP‐COFs coating (PCC) and mixing (PCM) across PPAM with different channel sizes, the turnover frequencies are 60 times the commonly used batch reactor, and aniline productivity of 8.8 g h−1 is achieved in 0.09 cm3. This work will raise awareness about the benefits of the catalyst‐loaded microplatform in future materials performance campaigns.
Rational Utilization of Black Phosphorus Nanosheets to Enhance Palladium‐Mediated Bioorthogonal Catalytic Activity for Activation of Therapeutics
Authors: Rong Mingjie , Liu Jian , Sun Zhen , Li Tong , Li Yang , Jiang Chunhuan , Lu Lehui 
Published: March 2023

AbstractPd‐catalyzed chemistry has played a significant role in the growing subfield of bioorthogonal catalysis. However, rationally designing Pd nanocatalysts that show outstanding catalytic activity and good biocompatibility poses a great challenge. Herein, we propose an innovative strategy through exploiting black phosphorous nanosheets (BPNSs) to enhance Pd‐mediated bioorthogonal catalytic activity. Firstly, the electron‐donor properties of BPNSs enable in situ growth of Pd nanoparticles (PdNPs) on it. Meanwhile, due to the superb capability of reducing PdII, BPNSs can act as hard nucleophiles to accelerate the transmetallation in the decaging reaction process. Secondly, the lone pair electrons of BPNSs can firmly anchor PdNPs on their surface via Pd−P bonds. This design endows Pd/BP with the capability to retard tumor growth by activating prodrugs. This work proposes new insights into the design of heterogeneous transition‐metal catalysts (TMCs) for bioorthogonal catalysis.
A Dynamic Defect Generation Strategy for Efficient Enzyme Immobilization in Robust Metal‐Organic Frameworks for Catalytic Hydrolysis and Chiral Resolution
Authors: Feng Yifan , Shi Ruixuan , Yang Mingfang , Zheng Yunlong , Zhang Zhenjie , Chen Yao 
Published: March 2023

AbstractEnzyme immobilization has been demonstrated to be a favorable protocol for promoting the industrialization of bioactive molecules, but still with formidable challenge. Addressing this challenge, we create a dynamic defect generation strategy for enzyme immobilization by using the dissociation equilibrium of metal‐organic frameworks (MOFs) mediated by enzymes. Enzymes can act as “macro ligands” to generate competitive coordination against original ligands, along with the release of metal clusters of MOFs to generate defects, hence promoting the gradual transport of enzymes from the surface to inside. Various enzymes can be efficiently immobilized in MOFs to afford composites with good enzymatic activities, protective performances and exceptional reusabilities. Moreover, multienzyme bioreactors capable of efficient cascade reactions can also be generated. This study provides new opportunities to construct highly efficient biocatalysts incorporating different types of enzymes.