bluuebunny/crossref_metadata_2025_split huggingface dataset:
Pd‐catalyzed Aerobic Cross‐Dehydrogenative Coupling of Catechols with 2‐Oxindoles and Benzofuranones: Reactivity Difference Between Monomer and Dimer
Authors: Sugawara Masumi , Sawamura Miki , Akakabe Mai , Ramadoss Boobalan , Sohtome Yoshihiro , Sodeoka Mikiko 
Published: September 2022

AbstractPersistent radicals, which are generated from 2‐oxindole or benzofuranone dimers, are useful tools for designing the radical‐based cross‐coupling reaction to provide molecules containing a quaternary carbon. The persistent radical is accessible from both the dimer and monomer; however, the reactivity difference between these substrates for the oxidative cross‐coupling reaction is not fully understood, most likely because of the mechanistic complexity. Here, we present details of an aerobic cross‐dehydrogenative coupling (CDC) reaction using various monomers and catechols. UV‐Vis analysis and mechanistic control experiments showed that the monomer is less reactive than the dimer under aerobic conditions. Our Pd(II)‐BINAP‐μ‐hydroxo complex significantly improved the reactivity of the monomers for the aerobic CDC reaction with catechols, yielding results comparable to those of the corresponding dimer. The procedure, which enables the generation of the persistent radical in situ, is particularly useful when employing the monomer that is not readily converted to the corresponding dimer.
Facile Synthesis of 2‐Methylenebenzothiazoles from Benzothiazole Salts and 4‐Hydroxycoumarins by Ball Milling
Authors: Xu Shengting , Chen Wantao , Yang Xiaotong , Shi Jianyi , Mai Zuyu , Zhu Zhongzhi , Chen Ling , Chen Xiuwen 
Published: September 2022

AbstractA simple and practical method for the synthesis of 2‐methylenebenzothiazoles via the coupling of a benzothiazole salts and 4‐hydroxycoumarins have been described herein. The reaction showed a good substrate range and functional compatibility under mechanochemical conditions, and proceeded without catalysts or solvents. The 2‐methylenebenzothiazoles products were achieved via the formation of a C=C double bond and exhibited strong luminescence and typical aggregation‐induced emission (AIE) properties, indicating their potential for use as fluorescent materials.
Where to draw the line? The influence of prior relationship, perpetrator‐target sex and perpetrator motivation on the point at which behavior ‘crosses the line’ and becomes stalking
Authors: Scott Adrian J. , Stathi Sofia , Burniak Victoria 
Published: September 2022

AbstractThe present study examines the influence of prior relationship (intimate, non‐intimate), perpetrator‐target sex (male‐female, female‐male) and perpetrator motivation (romance, upset) on (1) the point at which behavior crosses the line and becomes stalking, and (2) the likelihood of offering five forms of advice to the target (formal support, informal support, protective measures, avoidance measures, threatening action). The study used a 2 × 2 × 2 between‐participants experimental design. Four‐hundred and sixty‐one UK students read one of eight versions of a hypothetical scenario that they were informed may or may not depict a stalking situation. Analyses revealed that 97.8% (n = 451) of participants believed the perpetrator's behavior constituted stalking, and that behavior was perceived to cross the line earlier in the scenario when the perpetrator's motivation was to upset the target in the context of a non‐intimate prior relationship only. Prior relationship, perpetrator‐target sex and perpetrator motivation also influenced the likelihood of offering various forms of advice to the target. These findings further demonstrate the impact of situational characteristics on perceptions of stalking and highlight the importance of educational campaigns and programs to increase people's understanding of stalking.
Electroconvulsive therapy in a patient with hypertrophic cardiomyopathy: A case report
Authors: Kufner Marco , Nothdurfter Caroline , Steffling Dagmar , Baessler Andrea , Maier Lars S. , Qamar Yasmin 
Published: September 2022

AbstractThe use of electroconvulsive therapy (ECT) in patients with underlying cardiac disease like hypertrophic cardiomyopathy (HCM) remains without satisfactory clinical guidelines. We provide a case report of successful application of ECT in a 43‐year‐old patient with bipolar disorder and comorbid HCM, including detailed diagnostic information and outlining key clinical considerations.
The Puzzling Question about the Origin of the Second Electron in the Molecular Photocatalytic Reduction of CO2
Authors: Thomas Christopher , Wittig Marina , Rieger Bernhard 
Published: September 2022

AbstractHerein, a new supramolecular photocatalyst RuRe3 containing three Re(dmb)CO3Cl (dmb=4,4‘‐dimethyl‐2,2‘‐bipyridine) (Re) building blocks connected through an ethylene bridge to one [Ru(dmb)3]2+‐unit (Ru) is presented. We investigated the photophysical properties of this novel tetranuclear complex and compared these to compounds with one (RuRe) and two (RuRe2) catalytic units. Under irradiation, all three photocatalysts exhibit high activity and photostability for the reduction of CO2 to CO, with RuRe3 achieving the highest turnover number (11800) reported to date for a Re(I)/Ru(II)‐containing homogeneous catalyst. This tetranuclear complex is especially superior at small catalyst concentrations, which is attributed to an efficient second electron transfer via an intramolecular mechanism. Intermolecular electron transfer from small and mobile Re to RuRe motifs are found to also increase the catalytic performance of the system to a similar level (turnover number=12100). These synergistic effects are attributed to an improved catalytic cycle, stabilizing the bi‐ and tetrametallic complexes by providing the electrons quickly and effectively. Since the second electron provision is not finally clarified for molecular systems until today, our photocatalytic studies present important insights into this crucial step. Further, these investigations should be considered for the design and synthesis of new and efficient supramolecular CO2‐reducing photocatalysts.
Light‐ and Heat‐Controlled Formation of Osmanaphthalenes and Osmanaphthalynes
Authors: Zhang Ming‐Xing , Yang Xiaofei , Xu Zhiqiang , Yin Jun , Liu Sheng Hua 
Published: September 2022

Comprehensive SummarySimple and efficient synthesis of metalla‐aromatics with tailored distinctive optical, magnetic, redox, and light‐emitting properties is attractive yet challenging. We have now successfully synthesized three paramagnetic osmanaphthalenes bearing different electron‐donating groups as well as the first osmabenzo[b]carbazole containing an osmanaphthalene unit with four fused rings in good yields by subjecting suitable osmium carbyne precursors to a visible‐light‐induced protocol. In contrast, the four corresponding diamagnetic cyclic metal carbynes containing an osmanaphthalyne unit were obtained from the same osmium carbyne precursors by a heating method. The lowest‐energy absorptions of the paramagnetic osmanaphthalenes are red‐shifted compared to the corresponding osmanaphthalynes. Additionally, experimental observations including X‐ray analysis as well as nucleus‐independent chemical shift (NICS), anisotropy of the current‐induced density (AICD) calculations revealed these novel osmapolycycles bearing phosphonium substituents to be of aromatic character.
PROTOCOL: Interventions promoting resilience through climate‐smart agricultural practices for women farmers: A systematic review
Authors: Saran Ashrita , Singh Sabina , Gupta Neha , Walke Sujata Chodankar , Rao Ranjana , Simiyu Christine , Malhotra Suchi , Mishra Avni , Puskur Ranjitha , Masset Edoardo , White Howard , Sharma Waddington Hugh 
Published: September 2022

AbstractThis is the protocol for a Campbell systematic review. The objectives are as follows: the primary objective of this review is to synthesise evidence of the effectiveness of interventions to promote climate‐smart agriculture to enhance agricultural outcomes and resilience of women farmers in low‐and‐middle‐income countries (research question 1). The secondary objective is to examine evidence along the causal pathway from access to interventions to promote climate‐smart agriculture to empowering women so that they can use climate‐smart technology. And such outcomes include knowledge sharing, agency improvement, resource access and decision‐making (research question 2).
A comparative experimental analysis and deep evaluation practices on human bone fracture detection using x‐ray images
Authors: Sathish Kumar L. , Prabu A. V. , Pandimurugan V. , Rajasoundaran S. , Malla Prince Priya , Routray Sidheswar 
Published: September 2022

SummaryX‐ray images are widely used to identify fractures in human bones. Radiographic diagnosis models take more time and manual procedures for establishing physical analysis of bone fractures. Furthermore, the lack of clinical resources and the medical support systems lead to inaccurate bone data extractions. In this case, the need for detail is required to understand the scientific issues in x‐ray and magnetic resonance imaging (MRI) based bone fracture diagnosis solutions. Particularly, the current bone fracture detection models are emerging with computerized frameworks and health informatics consoles. In this regard, this article lists five phases. First, data preparation and data collection tasks are initiated. Second, bone fracture diagnosis models are comparatively analyzed to find optimal observations. Consequently, the third phase of the article examines the treatments against bone fracture observations with traditional and deep learning (DL) techniques. The fourth phase consists of relative diagnosis solutions and the treatment benefits on various types of technical frameworks. Finally, this work concludes the comparison with recent DL‐based bone fracture identification models.
Regulating the Acidity of SO3H‐Functionalized Ionic Liquids: Hydrogen Bonding or Electrostatic Potential?
Authors: Song Dayong , Chen Jing 
Published: September 2022

AbstractThe SO3H‐functionalized ionic liquids (ILs) with high acidity are important catalysts for acid‐catalyzed reactions. However, the acidity of these ILs have been found to decrease due to intramolecular hydrogen bonds (H‐bonds). In this work, a series of anionic SO3H‐functionalized ILs were designed and the factors resulting in weak acidity were investigated, including H‐bonds strength and electrostatic potential on the leaving proton (ESPLP). Using catalytic experiment, atoms in molecules topology analysis and electrostatic potential calculation, it was found that the acidity of ILs was correlated with the value of ESPLP rather than the H‐bond strength. Meanwhile, there were several ways to increase the acidity of anionic SO3H‐functionalized ILs, such as enhancing the electron‐withdrawing ability of cation, introducing H‐bond acceptor sites on cation or separating the intramolecular H‐bonds through substitution position. These strategies made the conversion of TBA in Friedel‐Crafts alkylation increase from 19 % to 84 %.
State‐of‐Charge Distribution of Single‐Crystalline NMC532 Cathodes in Lithium‐Ion Batteries: A Critical Look at the Mesoscale
Authors: Kröger Till‐Niklas , Wölke Mathis Jan , Harte Patrick , Beuse Thomas , Winter Martin , Nowak Sascha , Wiemers‐Meyer Simon 
Published: September 2022

AbstractThe electrochemical response of layered lithium transition metal oxides LiMO2 [M=Ni, Mn, Co; e. g., Li(Ni0.5Mn0.3Co0.2)O2 (NMC532)] with single‐crystalline architecture to slow and fast charging protocols and the implication of incomplete and heterogeneous redox reactions on the active material utilization during cycling were the subject of this work. The role of the active material size and the influence of the local microstructural and chemical ramifications in the composite electrode on the evolution of heterogeneous state of charge (SOC) distribution were deciphered. For this, classification‐single‐particle inductively coupled plasma optical emission spectroscopy (CL‐SP‐ICP‐OES) was comprehensively supplemented by various post mortem analytical techniques. The presented results question the impact of surface‐dependent failure mechanisms of single crystals for the evolution of SOC heterogeneity and identify the deficient structural flexibility of the composite electrode framework as the main driver for the observed non‐uniform active material utilization.
Pharmacokinetics of freebase nicotine and nicotine salts following subcutaneous administration in male rats
Authors: Han Shulei , Liu Chuan , Chen Huan , Fu Ya'ning , Zhang Yuan , Miao Ruijuan , Ren Peipei , Yu Pengpeng , Shi Zhihao , Tian Yushan , Wang Hongjuan , Liu Tong , Hou Hongwei , Hu Qingyuan 
Published: September 2022

AbstractNicotine lactate, nicotine tartrate, nicotine benzoate, and freebase nicotine (FBN) are four forms of nicotine salt systems that are present in tobacco products. However, few in vivo studies have compared their pharmacological (pK) efficacies, which are important for understanding their roles in the addiction and abuse of tobacco and nicotine products. In this work, the pK of the above nicotine salt systems was studied by subcutaneously injecting their aqueous solutions in rats and obtaining blood samples from the jugular vein. Nicotine levels in the blood were analyzed by LC–MS/MS. The results demonstrated that rapid nicotine absorption occurred in all nicotine systems. Of them, NB had the smallest Tmax, while FBN had the largest Tmax. The nicotine metabolic rate and clearance decreased for FBN, indicating that nicotine retention in the body was higher than for the other three salt‐based systems. Compared with nicotine salts, FBN could reach and maintain a higher concentration in the animal model. Additionally, as the benzoic acid ratios increased, the Cmax of the nicotine benzoate (NB) in the plasma decreased. This indicates that the lower the pH, the lower the Cmax. When different concentrations of NB were used, the higher the NB concentration, the greater the Cmax and AUC(0‐t). These results demonstrate that nicotine adsorption by NB in the animal model depended on both pH and concentration. This baseline information could be used to explain different clinical pharmacological observations in humans, though this study only considered the effects of nicotine on pharmacokinetics in vivo.
Application of independent‐left‐and‐right‐wheel‐driving force controller to torque vectoring differential with two‐input‐two‐output motor drive system for electrified vehicles
Authors: Fuse Hiroyuki , Fujimoto Hiroshi , Sawase Kaoru , Takahashi Naoki , Takahashi Ryota , Okamura Yutaro , Koga Ryosuke 
Published: September 2022

AbstractA torque‐difference‐amplification torque vectoring differential (TDA‐TVD), which is composed of a two‐input‐two‐output system, has a great potential for cornering maneuverability; however, the overall controllability of slip ratio or driving force control is difficult owing to its complex mechanical structure. In order to enhance the controllability of TDA‐TVD, this study proposes a design method to apply a driving force controller (DFC) with a decent slip ratio and driving force controllability, which was originally intended for independent wheel drive systems. An experimental verification on a slippery road using a real vehicle with the TDA‐TVD indicated that the DFC can be applied to the TDA‐TVD and that it improves the overall performance of the traction control.
Forecasting inflation and output growth with credit‐card‐augmented Divisia monetary aggregates
Authors: Barnett William A. , Park Sohee 
Published: September 2022

AbstractThis paper investigates the performance of the credit‐card‐augmented Divisia monetary aggregates in forecasting US inflation and output growth at the 12‐month horizon. We compute recursive and rolling out‐of‐sample forecasts using an autoregressive distributed lag model based on Divisia monetary aggregates. We use the three available versions of those monetary aggregate indices, including the original Divisia aggregates, the credit card‐augmented Divisia, and the credit‐card‐augmented Divisia inside money aggregates. The source of each is the Center for Financial Stability. We find that the smallest root mean square forecast errors are attained with the credit‐card‐augmented Divisia indices used as the forecast indicators. We also consider Bayesian vector autoregression for forecasting annual inflation and output growth.
Predicting severe maternal outcomes in a network of sentinel sites in Latin‐American countries
Authors: Aleman Alicia , Colomar Mercedes , Colistro Valentina , Tomaso Gisselle , Sosa Claudio , Serruya Suzanne , de Francisco Luis Andrés , Ciganda Alvaro , De Mucio Bremen 
Published: September 2022

AbstractObjectiveThis study aimed to determine incidences of potentially life‐threatening conditions (PLTC), maternal near misses (MNM), and maternal deaths (MD) in women who gave birth in participating facilities, and to determine the probability that a pregnancy involving a PLTC would evolve into an MNM and/or an MD.MethodsThis was a multicentric observational study implemented on a maternal network from August 2018 to May 2019 in five Latin‐American countries. We summarized categorical variables as frequencies and continuous variables with median, interquartile range, and standard deviations. Positive and negative likelihood ratios were calculated and multivariate predictive models were built.ResultsThere were 33 901 deliveries and miscarriages, of which 8.0% had at least one PLTC and 0.6% had an MNM. Hypertensive disorder was the most frequent condition to evolve into a severe maternal outcome.ConclusionIdentifying PLTC can help to prevent MNM and MD. The inclusion of these predictors in a real‐time data registration system like the Perinatal Informatic System could work as a surveillance tool for early detection, leading to a reduction in the rate of worsening conditions.
Cardiotoxicity of (−)‐borneol, (+)‐borneol, and isoborneol in zebrafish embryos is associated with Na+/K+‐ATPase and Ca2+‐ATPase inhibition
Authors: Ni Xuan , Yin Xiaoyu , Qi Chelimuge , Liu Chunyu , Chen Hao , Zhou Yini , Ao Wuliji , Bao Shuyin , Xue Jiangdong , Yang Jingfeng , Dong Wu 
Published: September 2022

AbstractBorneol is an example of traditional Chinese medicine widely used in Asia. There are different isomers of chiral borneol in the market, but its toxicity and effects need further study. In this study, we used zebrafish embryos to examine the effects of exposure to three isomers of borneol [(−)‐borneol, (+)‐borneol, and isoborneol] on heart development and the association with Na+/K+‐ATPase from 4 h post‐fertilization (4 hpf). The results showed that the three isomers of borneol increased mortality and decreased hatching rate when the zebrafish embryo developed to 72 hpf. All three isomers of borneol (0.01–1.0 mM) significantly reduced heart rate from 48 to 120 hpf and reduced the expression of genes related to Ca2+‐ATPase (cacna1ab and cacna1da) and Na+/K+‐ATPase (atp1b2b, atp1a3b, and atp1a2). At the same time, the three isomers of borneol significantly reduced the activities of Ca2+‐ATPase and Na+/K+‐ATPase at 0.1 to 1.0 mM. (+)‐Borneol caused the most significant reduction (p < 0.05), followed by isoborneol and (−)‐borneol. Na+/K+‐ATPase was mainly expressed in otic vesicles and protonephridium. All three isomers of borneol reduced Na+/K+‐ATPase mRNA expression, but isoborneol was the most significant (p < 0.01). Our results indicated that (+)‐borneol was the least toxic of the three isomers while the isoborneol showed the most substantial toxic effect, closely related to effects on Na+/K+‐ATPase.
Influence of varying thermal treatment on bioactive material with equal Ca/P ratio: A local drug delivery system for bone regeneration
Authors: Krishnamoorthy Elakkiya , Sugumaran Vijayakumari , Gosala Radha , Purushothaman Bargavi , Subramanian Balakumar 
Published: September 2022

AbstractDesigning a biomaterial with excellent bioactivity, biocompatibility, mechanical strength, porosity, and osteogenic properties is essential to incorporate therapeutic agents in order to promote efficient bone regeneration. The work intended to prepare bioactive glass with tailor‐made equal Ca/P (CP) ratio to obtain clinophosinaite (Cpt) as dominant phase. Clinophosinaite (Na3CaPSiO7) is one of the rarest phases of bioactive glass (BG), which is supposed to play key role in bioactivity. The novelty of this work is to track the required sintering temperature to attain equimolar calcium phosphate‐containing clinophosinaite phase and its behavior. Further, its consequent physicochemical and biological properties were analyzed. Phase transition from Rhenanite to Cpt, and later the Cpt emerged as dominant phase with increase of calcination temperature from 700 to 1000°C was studied. The quantifying evolution of Cpt with Rhenanite over increasing annealing temperature also results with the major morphological modifications. BET analysis confirmed the surface area and porosity (Type‐IV mesoporous) were gradually elevated upto 900°C, which had contrary effect on mechanical strength. Formation of hydroxyl carbonate apatite (HCA) layer confirmed the bioactivity of the prepared samples at varying time intervals. The CP samples demonstrated better hemocompatibility in post‐immersion (i.e., less than 1% of lysis) when compared with pre‐immersion. Enhanced protein adsorption and cumulative release (85%) of Simvastatin (SIM) drug was attained at 900°C treatment.