bluuebunny/crossref_metadata_2025_split huggingface dataset:
Design, Synthesis and in Vitro Tumor Cytotoxicity Evaluation of 3,5‐Diamino‐N‐substituted Benzamide Derivatives as Novel GSK‐3β Small Molecule Inhibitors
Authors: Zhou Yanping , Zhang Lijuan , Fu Xiujuan , Jiang Zhongliang , Tong Rongsheng , Shi Jianyou , Li Jian , Zhong Lei 
Published: July 2019

AbstractGlycogen synthase kinase‐3 (GSK‐3) plays an important regulatory role in various signaling pathways; such as PI3 K/AKT, which is closely related to the occurrence and development of tumors. At present, the most reported active GSK‐3 inhibitors have the same structure: lactam ring or amide structure. To find out the GSK‐3β small molecule inhibitor with novel, safe, efficient and more uncomplicated synthesis method, we analyzed in‐depth reported crystal‐binding patterns of GSK‐3β small molecule inhibitor with GSK‐3β protein, and designed and synthesized 17 non‐reported 3,5‐diamino‐N‐substituted benzamide compounds. Their structures were confirmed by 1H‐NMR, 13C‐NMR, and HR‐MS. The preliminary screening of tumor cytotoxicity of compounds in vitro was detected by MTT, and their structure–activity relationships were illustrated. The results have shown that 3,5‐diamino‐N‐[3‐(trifluoromethyl)phenyl]benzamide (4d) exhibited significant tumor cytotoxicity against human colon cancer cells (HCT‐116) with IC50 of 8.3 μm and showed commendable selectivity to GSK‐3β. In addition, Compound 4d induced apoptosis to some extent and possessed modest PK properties.
Comparative outcomes for a national cohort of persons convicted of murder, with and without serious mental illness, and those found not guilty by reason of insanity on a murder charge: A 25‐year follow‐up study
Authors: Skipworth Jeremy , Bevin Wendy , McKenna Brian , Simpson Alexander I.F. , Brinded Phil , Pearson Janet 
Published: July 2019

AbstractBackgroundSerious mental illness (SMI) is common among persons sentenced to life imprisonment for murder, yet little is known about how this affects rehabilitation, prospects of parole, or risk to the community.AimThe aim of this study is to compare outcomes for a national cohort of offenders charged with murder who were either convicted and sentenced to life in prison or placed on a forensic hospital order.MethodsThe 386 cases of murder charges in New Zealand between 1988 and 2000 were divided into three groups: perpetrators without SMI sentenced to life imprisonment (n = 313), perpetrators with SMI but sentenced to life imprisonment (n = 32), or those with such illness and found not guilty by reason of insanity (NGRI) who received a forensic hospital order (n = 41). Access to rehabilitative interventions, time to release, reoffending, and recall to prison or hospital were examined.ResultsBeing in prison but having severe mental illness delayed release on parole but did not increase the risk of criminal recidivism or recall to prison. Hospital order patients were a demographically different group; they were released to the community earlier and had a lower rate of criminal recidivism.ConclusionsThis study provides some evidence that incarceration periods for life‐sentenced homicide perpetrators with SMI may be reduced without increasing community risk if hospital transfer and/or more targeted interventions are provided in prison. It also provides further evidence that persons found NGRI after a charge of murder have a relatively low risk of criminal recidivism. The stigma that may sometimes attach to such offenders is unwarranted, if it relies on concerns about risk of reoffending.
Mechanism of Oxidative Activation of Fluorinated Aromatic Compounds by N‐Bridged Diiron‐Phthalocyanine: What Determines the Reactivity?
Authors: Colomban Cédric , Tobing Anthonio H. , Mukherjee Gourab , Sastri Chivukula V. , Sorokin Alexander B. , de Visser Sam P. 
Published: July 2019

AbstractThe biodegradation of compounds with C−F bonds is challenging due to the fact that these bonds are stronger than the C−H bond in methane. In this work, results on the unprecedented reactivity of a biomimetic model complex that contains an N‐bridged diiron‐phthalocyanine are presented; this model complex is shown to react with perfluorinated arenes under addition of H2O2 effectively. To get mechanistic insight into this unusual reactivity, detailed density functional theory calculations on the mechanism of C6F6 activation by an iron(IV)‐oxo active species of the N‐bridged diiron phthalocyanine system were performed. Our studies show that the reaction proceeds through a rate‐determining electrophilic C−O addition reaction followed by a 1,2‐fluoride shift to give the ketone product, which can further rearrange to the phenol. A thermochemical analysis shows that the weakest C−F bond is the aliphatic C−F bond in the ketone intermediate. The oxidative defluorination of perfluoroaromatics is demonstrated to proceed through a completely different mechanism compared to that of aromatic C−H hydroxylation by iron(IV)‐oxo intermediates such as cytochrome P450 Compound I.
Catalyst‐Free Arylation of Tertiary Phosphines with Diaryliodonium Salts Enabled by Visible Light
Authors: Bugaenko Dmitry I. , Volkov Alexey A. , Livantsov Mikhail V. , Yurovskaya Marina A. , Karchava Alexander V. 
Published: July 2019

AbstractThe visible‐light‐induced arylation of tertiary phosphines with aryl(mesityl)iodonium triflates to produce the quaternary phosphonium salts occurs under mild, metal, and catalyst‐free conditions. Photo‐excited EDA complexes between diaryliodonium salts and phosphines supposedly enable this transformation, which is difficult to achieve through the traditional ground‐state reactions. Demonstrating high functional group tolerance, broad scope, and complete selectivity of the aryl group transfer, the method is particularly compatible with sterically congested phosphines, which are challenging under metal‐based catalytic methods.
From p‐Xylene to Ibuprofen in Flow: Three‐Step Synthesis by a Unified Sequence of Chemoselective C−H Metalations
Authors: Lee Hyune‐Jea , Kim Heejin , Kim Dong‐Pyo 
Published: July 2019

AbstractIbuprofen was prepared from an inactive and inexpensive p‐xylene by three‐step flow functionalizations through chemoselective metalations of benzyl positions in sequence using an in situ generated LICKOR‐type superbase. The flow approach in the microreactor facilitated the comprehensive exploration of over 100 conditions in the first‐step reaction by varying concentrations, temperatures, solvents, and equivalents of reagents, enabling optimal conditions to be found with 95 % yield by significantly suppressing the formation of byproducts, followed by the second C−H metalation step in 95 % yield. Moreover, gram‐scale synthesis of ibuprofen in the final step was achieved by biphasic flow reaction of solution‐phase intermediate with CO2, isolating 2.3 g for 10 min of operation time.
Quantitatively immunological characterization of mogamulizumab skin disorders in ATL patients
Authors: Ito Asahi , Suzuki Yui , Masaki Ayako , Yoshida Shinichiro , Suzushima Hitoshi , Takemoto Shigeki , Utsunomiya Atae , Ishii Toshihiko , Hiura Masanori , Takahashi Takeshi , Yurimoto Satoshi , Inagaki Hiroshi , Morita Akimichi , Iida Shinsuke , Ishida Takashi 
Published: July 2019

AbstractPurposeSkin disorders demonstrate highly variable phenotypical and histopathological features. Mogamulizumab, a humanized anti‐CC chemokine receptor 4 monoclonal antibody indicated for the treatment of adult T‐cell leukemia‐lymphoma, has been shown to induce skin‐related adverse events in some patients, including rare cases of Stevens‐Johnson syndrome. Hence, we aimed to elucidate immunological primary reactions in skins of mogamulizumab by quantitatively comparing any patterns of other skin disorders.MethodsWe quantitatively analyzed Foxp3+, CD8+, CD4+, granzyme B+, CD56+, and macrophage‐derived chemokine‐positive cells, and compared the results with trends observed in other inflammatory skin disorders such as psoriasis vulgaris, atopic dermatitis, and lichen planus. The analysis was separately performed in dermis, basement membrane, or epidermis of skins.ResultsFoxp3+/CD8+ cell ratio in dermis and basement membrane of mogamulizumab‐emergent skin disorders was significantly lower compared with those of the other skin disorders. In inflammatory skins, the more the number of CD8+ cells were infiltrated, the more the number of Foxp3+ cells were prone to be infiltrated, but not in mogamulizumab‐emergent skin disorders. No significant difference between all of the other skin disorders was observed in other immunological markers.ConclusionThe low Foxp3+/CD8+ cell ratio of skins is the underlying reason for mogamulizumab‐emergent skin disorders.
Hydrogen Diffusion Guided Design of Pt‐Based Alloys for Inhibition of Butadiene Over‐Hydrogenation
Authors: Hu Chaoquan , Sun Jiahan , Wang Dongjie , Peng Mi , Shao Mingyuan , Zhu Qingshan , Ma Ding 
Published: July 2019

AbstractThe front cover artwork is provided by the groups of Dr. Chaoquan Hu, Prof. Qingshan Zhu (Institute of Process Engineering, Chinese Academy of Sciences), and Prof. Ding Ma (Peking University, P.R. China). The image shows the inhibition of C=C bond hydrogenation by increasing the barrier for H atom diffusion to the site, on which the H atom shares two Pt atoms with the C=C bond. Read the full text of the Article at 10.1002/cphc.201900380.
PlantNE: a global database of plant biomass from nitrogen‐addition experiments
Authors: Xu Xiaoni , Lu Ruiling , Yan Liming , Xia Jianyang 
Published: July 2019

AbstractThe growth of terrestrial plants and the production of terrestrial ecosystems are highly dependent on the availability of nitrogen (N). During the past decades, the rate of global atmospheric N deposition has shown an increasing trend, greatly relieving N limitation on terrestrial plant growth. Thus, whether and how plant biomass will respond to increasing N deposition in the future is particularly important with regard to the function of terrestrial ecosystems. The N‐addition experiment is a major approach to study the ecological responses of plant species occurring in natural terrestrial ecosystems under N enrichment. In recent decades, many N‐addition experiments have been conducted across various plant functional types and terrestrial ecosystems, but their data on plant biomass have yet to be synthesized into a single database. Here, we present an open‐access database of measured plant biomass in N‐addition experiments (PlantNE) collected from available publications in Web of Science. The reported mean, standard deviation, and sample size of plant biomass in both control and treatment plots were collected in each publication. As a result, the PlantNE database records 519 plant species from 4,599 observations in 348 published studies. It covers a wide geographical range (54.75° S–69.66° N; 157.80° W–175.30°E) and a broad natural climate zone (−10°C to 27.6°C; 94–7,000 mm) over the past three decades (1982–2018). Information related to the experimental site (i.e., latitude, longitude, country, ecosystem, experimental condition, temperature, and precipitation), biotic factors (i.e., species, plant category, plant age, planting pattern, and plant part), and N treatment (i.e., N dose, treatment interval and duration, and N addition with other treatments) is included in this database. We expect that the PlantNE database can contribute to the understanding of ecosystem productivity and biodiversity under increasing atmospheric N deposition and provide empirical data for model studies. There are no copyright restrictions; personal or noncommercial use of this database by researchers and teachers is encouraged. Researchers are requested to cite this paper if using all or part of the database. As we intend to keep this database up to date on GitHub (see Metadata S1 for details) and Zenodo (https://doi.org/10.5281/zenodo.3359810), researchers are encouraged to inform us of the applications of this database.
Severe drought limits trees in a semi‐arid savanna
Authors: Case Madelon F. , Wigley‐Coetsee Corli , Nzima Noel , Scogings Peter F. , Staver A. Carla 
Published: July 2019

AbstractIncreasingly frequent and severe droughts under climate change are expected to have major impacts on vegetation worldwide. However, research to date has focused on tree vulnerability to drought in forests. Less is known about trees and drought in savannas, where a sparse tree layer coexists with grass. These tree–grass interactions (often mediated by fire and herbivory) shape savanna tree ecology, and confound predictions of how strongly drought might affect trees. On the one hand, drought is physiologically stressful, which could harm trees and be exacerbated by herbivore impacts; on the other hand, trees adapted to semiarid savannas might be relatively drought tolerant, and the considerable impacts of drought on grass could even benefit trees via reduced grass competition and fire risk, especially in the year following a drought. Here, we sought to understand the net effects of severe drought on the savanna tree layer, and how fire and herbivory mediate these effects. We monitored tree growth, mortality, and community structure for 2 yr within existing long‐term fire and herbivory experiments across a drought‐severity contrast, following a major drought in Kruger National Park, South Africa. Overall, severe drought was a major stressor for trees. Tree mortality rates in most species increased by an order of magnitude in the year following drought, and slower growth rates for some persisted for 2 yr. At the community level, this translated into substantial decreases in tree densities. Herbivory and fire did little either to mitigate or exacerbate drought effects on trees, and overall, drought swamped effects of herbivory and fire that have otherwise been observed. However, species differed in their responses to drought, with some dominant encroaching species especially vulnerable. We suggest that increasing drought frequency and severity could drastically alter savanna vegetation by repeatedly killing off trees.
How does culture shape our moral identity? Moral foundations in Saudi Arabia and Britain
Authors: AlSheddi Mona , Russell Sophie , Hegarty Peter 
Published: July 2019

AbstractNorth American measures of moral identity (MI) assume that caring and fairness are the most prototypical features of morality. Moral foundations theory describes such individualising foundations of morality as dominant in individualist cultures and binding foundations of morality as more particular to collectivist cultures. We weighed the criticism that moral identity scales are guilty of “liberal ethnocentrism” in two studies drawing on participants in the UK and Saudi Arabia. Only individualising traits were prototypical of concepts of moral people in Britain, while individualising and binding traits were both prototypical of such concepts in Saudi Arabia (Study 1, N = 160). In Study 2 (N = 539), participants completed the moral identity scale following typical instructions that referred to the prototypical traits of one of five moral foundations. Overall MI scores were lower in Britain than in Saudi Arabia, particularly when instructions described binding traits as characteristics of a moral person. Cross‐cultural differences were mediated by the perceived cultural importance attributed to these traits, particularly binding traits. These results justify concerns that existing moral identity scales underestimate important cultural variation in conceptualising moral identity, but justice and caring concerns remain the best single candidates for a universal foundation of human morality.
A new numerical method for evaluating the variation of casing inner diameter after strike‐slip fault sliding during multistage fracturing in shale gas wells
Authors: Xi Yan , Li Jun , Liu Gonghui , Zha Chunqing , Zeng Xiamao , Zhong Wenli 
Published: July 2019

AbstractCasing shear deformation has become a prominent problem in the process of completion in shale gas wells. It was believed that the slide of strike‐slip fault induced by multistage fracturing was the main reason. This paper presented a new numerical investigation for evaluating the casing inner diameter after strike‐slip fault sliding based on the microseismic data. A 3D finite element model, considering the mechanical anisotropy of shale and heat‐fluid‐solid coupling effect during multistage fracturing, was developed to calculate the variation of casing inner diameter after fault sliding under different engineering and geological conditions. The calculation result was verified by comparison with the measurement result of the multi‐finger caliper survey. Sensitivity analysis was carried out and the results showed that decreasing the sliding distance, maintaining high pressure, increasing the casing thickness, and increasing the elasticity modulus and decreasing the Poisson ratio of cement sheath were beneficial to protect the casing integrity. Finally, the engineering verification demonstrated that the numerical method has an accuracy up to 85.9%. Numerical model in this study was expected to provide a better understanding of casing shear deformation and an evaluation method of casing inner diameter after fault sliding during multistage fracturing in shale gas wells.
Membrane metallo‐endopeptidase is dispensable for repair after nerve injury
Authors: Cervellini Ilaria , Galino Jorge , Zhu Ning , Fricker Florence R. , Bao Lu , Bennett David L. H. 
Published: July 2019

AbstractMembrane metallo‐endopeptidase (MME), also known as neprilysin (NEP), has been of interest for its role in neurodegeneration and pain due to its ability to degrade β‐amyloid and substance‐P, respectively. In addition to its role in the central nervous system, MME has been reported to be expressed in the peripheral system, specifically in the inner and outer border of myelinating fibers, in the Schmidt‐Lantermann cleft and in the paranodes. Recently, mutations of this gene have been associated with Charcot‐Marie‐Tooth Type 2 (CMT2). Peripheral nerve morphometry in mice lacking MME previously showed minor abnormalities in aged animals in comparison to CMT2 patients. We found that MME expression was dysregulated after nerve injury in a Neuregulin‐1 dependent fashion. We therefore explored the hypothesis that MME may have a role in remyelination. In the naïve state in adulthood we did not find any impairment in myelination in MME KO mice. After nerve injury the morphological outcome in MME KO mice was indistinguishable from WT littermates in terms of axon regeneration and remyelination. We did not find any difference in functional motor recovery. There was a significant difference in sensory function, with MME KO mice starting to recover response to mechanical stimuli earlier than WT. The epidermal reinnnervation, however, was unchanged and this altered sensitivity may relate to its known function in cleaving the peptide substance‐P, known to sensitise nociceptors. In conclusion, although MME expression is dysregulated after nerve injury in a NRG1‐dependent manner this gene is dispensable for axon regeneration and remyelination after injury.
Instabilities of horizontal magnetoconvection with rotating fluid in a sparsely packed porous media
Authors: Avula Benerji Babu , N Venkata Koteswara Rao , S.G. Tagare 
Published: July 2019

AbstractWe studied linear and nonlinear instabilities of horizontal magnetoconvection with rotating fluid in a sparsely packed porous media. We studied the critical Rayleigh number and traced marginal stability curves at different parameters , , , and . We obtained Takens‐Bogdanov and co‐dimension two bifurcation points. The Newell‐Whitehead multiple scheme was employed to derive amplitude equations at Pitchfork and Hopf bifurcation. At the onset of Pitchfork bifurcation we identified Eckhaus and Zigzag instability regions and studied Nusselt number. The system of coupled Landau Ginzburg equations were derived at the onset of Hopf bifurcation and identified secondary instability regions for fixed parameters, steady state mode shifted to standing and traveling waves as increases.
Effect of peer presence on adolescents' risk‐taking is moderated by individual self‐esteem: An experimental study
Authors: Tian Lumei , Dong Xinyue , Xia Dayong , Liu Lu , Wang Dawei 
Published: July 2019

Prior research suggests that the presence of peers increases adolescents' risk‐taking. However, it is not clear whether the effect of peer presence is moderated by individual characteristics such as self‐esteem, since individuals with low self‐esteem are more susceptible to peer influence theoretically. The present study examined this problem using an adapted Stoplight Game in an experiment. A final sample of 140 adolescent students aged 14–18 (M = 16.25 ± 0.73 years, 61 girls), divided into two groups—low self‐esteem and high self‐esteem, according to their self‐esteem scores, completed a risk‐taking task either alone or in the presence of a same‐sex peer. The results indicated that peer presence increased adolescents' risk‐taking, specifically for those with low self‐esteem, while those with high self‐esteem were not affected by peer presence. The findings are helpful for our understanding of peer influence on adolescent risk‐taking and the moderating role of the self and have practical implications for preventing and intervening adolescents' risk‐taking via increasing their self‐esteem.
Designing antimicrobial stewardship initiatives to enhance scientific dissemination
Authors: Pagels Courtney M. , McCreary Erin K. , Rose Warren E. , Dodds Ashley Elizabeth S. , Bookstaver P. Brandon , Dilworth Thomas J. 
Published: July 2019

AbstractAntimicrobial overuse and resistance pose an immediate threat to human health. Antimicrobial stewardship (AMS) refers to efforts designed to improve antimicrobial use and optimize associated outcomes across health care settings. Pharmacists are integral leaders of AMS teams and are increasingly engaged in AMS research. However, AMS scholarship often lacks scientific rigor and subsequently, representative evidence in AMS guidelines is low quality. Because pharmacists are often on the front lines of AMS in health care systems, they must be cognizant of robust AMS study design to increase both quality and generalizability of their AMS interventions and observations. Sustainability of AMS interventions is equally important. This paper provides a primer for pharmacists engaged in AMS on fundamental AMS scholarship concepts including defining the study objective, study design, study methodology, data analysis, and promoting sustainability of the intervention. Recommendations are made for pharmacists across the spectrum of AMS, from new to well‐established programs. Additional AMS training and AMS scholarship is needed to support both the profession and pharmacists engaged in AMS. A concerted effort by pharmacists to enhance the quality of AMS research may improve AMS scholarship impact and further enhance outcomes throughout the continuum of care.