bluuebunny/crossref_metadata_2025_split huggingface dataset:
Remarkable Energy Barrier for Magnetization Reversal in 3D and 2D Dysprosium‐Chloranilate‐Based Coordination Polymers
Authors: Mondal Arpan , Roy Subhadip , Konar Sanjit 
Published: April 2020

AbstractHerein, two coordination polymers (CPs) [{Dy(Cl2An)1.5(CH3OH)}⋅4.5 H2O]n (1) and [Dy(Cl2An)1.5(DMF)2]n (2), in which Cl2An is chloranilate (2,5‐dihydroxy‐1,4‐benzoquinone dianion), exhibiting field‐induced single‐molecule magnet behavior with moderate barrier of magnetization reversal are reported. Detailed structural and topological analysis disclosed that 1 has a 3D network, whereas 2 has a 2D layered‐type structure. In both CPs, magnetic measurements showed weak antiferromagnetic exchange interaction between the dysprosium centers and field‐induced slow magnetic relaxation with barriers of 175(9)K and 145(7)K for 1 and 2, respectively. Notably, the energy barriers of magnetization reversal of 1 and 2 are remarkable for metal–chloranilate‐based 3D (1) and 2D (2) CPs. The temperature and field dependence of relaxation time indicate the presence of multiple relaxation pathways, such as direct, quantum tunneling of magnetization, Raman, and Orbach processes, in both CPs. Ab initio theoretical calculations reinforced the experimentally observed higher energy barrier in 1 as compared with 2 due to the presence of large transverse anisotropy in the ground state in the latter. The average transition magnetic moment between the computed low‐lying spin–orbit states also rationalized the relaxation as Orbach and Raman processes through the first excited state. BS‐DFT calculations were carried out for both CPs to provide more insight into the exchange interaction.
Nanostructures for Electrocatalytic CO2 Reduction
Authors: Ouyang Ting , Huang Sheng , Wang Xiao‐Tong , Liu Zhao‐Qing 
Published: April 2020

AbstractOne of the most effective ways to cope with the problems of global warming and the energy shortage crisis is to develop renewable and clean energy sources. To achieve a carbon‐neutral energy cycle, advanced carbon sequestration technologies are urgently needed, but because CO2 is a thermodynamically stable molecule with the highest carbon valence state of +4, this process faces many challenges. In recent years, electrochemical CO2 reduction has become a promising approach to fix and convert CO2 into high‐value‐added fuels and chemical feedstock. However, the large‐scale commercial use of electrochemical CO2 reduction systems is hindered by poor electrocatalyst activity, large overpotential, low energy conversion efficiency, and product selectivity in reducing CO2. Therefore, there is an urgent need to rationally design highly efficient, stable, and scalable electrocatalysts to alleviate these problems. This minireview also aims to classify heterogeneous nanostructured electrocatalysts for the CO2 reduction reaction (CDRR).
Discovery and Biomimetic Synthesis of a Phloroglucinol‐Terpene Adduct Collection from Baeckea frutescens and Its Biogenetic Origin Insight
Authors: Luo Shi‐Lin , Hu Li‐Jun , Huang Xiao‐Jun , Su Jun‐Cheng , Shao Xue‐Hua , Wang Lei , Xu Han‐Hong , Li Chuang‐Chuang , Wang Ying , Ye Wen‐Cai 
Published: April 2020

AbstractA phloroglucinol‐terpene adduct (PTA) collection consisting of twenty‐four molecules featuring three skeletons was discovered from Baeckea frutescens. Inspired by its biosynthetic hypothesis, we synthesized this PTA collection by reductive activation of stable phloroglucinol precursors into highly reactive ortho‐quinone methide (o‐QM) intermediates and subsequently Diels–Alder cycloaddition. We also demonstrated, for the first time, the generation process of the active o‐QM by performing dynamic NMR and HPLC‐MS monitoring experiments. Moreover, the PTA collection showed significant antifeedant effect toward the Plutella xylostella larvae.
2,7,11,16‐Tetra‐tert‐Butyl Tetraindenopyrene Revisited by an “Inverse” Synthetic Approach
Authors: Elbert Sven M. , Haidisch Anika , Kirschbaum Tobias , Rominger Frank , Zschieschang Ute , Klauk Hagen , Mastalerz Michael 
Published: April 2020

AbstractA new synthetic route to tetraindenopyrene (TIP)—a bowl‐shaped cut‐out structure of C70—is reported. The key step in this approach is a fourfold palladium‐catalyzed C−H activation that increases the yield more than 50 times in comparison to the approach originally described by Scott and co‐workers. Besides examination of its optoelectronic properties and study of its aggregation in solution, TIP was also re‐investigated by dispersion‐corrected DFT methods, which showed that dispersion interactions significantly increase the bowl‐to‐bowl inversion barrier. Furthermore, TIP was used as a semiconductor in p‐channel thin‐film transistors (TFTs).
Synthesis of Diverse Aromatic Ketones through C−F Cleavage of Trifluoromethyl Group
Authors: Ikeda Mai , Matsuzawa Tsubasa , Morita Takamoto , Hosoya Takamitsu , Yoshida Suguru 
Published: April 2020

AbstractAn efficient synthetic method of aromatic ketones through C−F cleavage of trifluoromethyl group is disclosed. The high functional group tolerance of the transformation and the remarkable stability of trifluoromethyl group in various reactions enabled multi‐substituted aromatic ketone synthesis in an efficient route involving useful transformations such as ortho‐lithiation, aryne chemistry, and cross‐couplings.
Thiourea‐Catalyzed C−F Bond Activation: Amination of Benzylic Fluorides
Authors: Houle Camille , Savoie Paul R. , Davies Clotilde , Jardel Damien , Champagne Pier Alexandre , Bibal Brigitte , Paquin Jean‐François 
Published: April 2020

AbstractWe describe the first thiourea‐catalyzed C−F bond activation. The use of a thiourea catalyst and Ti(OiPr)4 as a fluoride scavenger allows the amination of benzylic fluorides to proceed in moderate to excellent yields. Preliminary results with S‐ and O‐based nucleophiles are also presented. DFT calculations reveal the importance of hydrogen bonds between the catalyst and the fluorine atom of the substrate to lower the activation energy during the transition state.
Linking population‐based registries to identify familial cancer risk in childhood cancer
Authors: Madanat‐Harjuoja Laura‐Maria , Pitkäniemi Janne , Hirvonen Elli , Malila Nea , Diller Lisa R. 
Published: April 2020

BackgroundLinked population‐based registries provide a unique source for identification of new family cancer syndromes and for elucidating risk of early‐onset cancer in close relatives of cancer patients.MethodsUsing the Finnish Cancer Registry, we identified 9078 probands who had been diagnosed with cancer at <21 years of age between 1970 and 2012. Siblings, offspring, parents, nephews, and nieces of probands were identified from the Population Registry. Childhood and young adult (ChYA) cancer diagnoses (age 0‐39 years) in relatives were identified by linking to the Finnish Cancer Registry. The relative risk of ChYA cancer in family members of probands was estimated using standardized incidence ratios (SIRs).ResultsAmong 58,010 family members of the 9078 probands, 363 ChYA cancers were diagnosed, 324 of which were expected (SIR, 1.12; 95% CI, 1.01‐1.24). The risk of ChYA cancer was elevated both in offspring (SIR, 2.25; 95% CI, 1.51‐3.24) and in siblings (SIR, 1.17; 95% CI, 1.01‐1.36). Offspring of probands with retinoblastoma were at highest risk (SIR, 75.85; 95% CI, 32.75‐149.45); risks were also elevated for siblings of probands with lymphoma (SIR, 1.62; 95% CI, 1.14‐2.25). Known cancer predisposition syndromes were observed in 29 (66%) of 44 sibling pairs with cancers diagnosed at <21 years of age and in 20% of the 135 families with a childhood cancer proband whose sibling was diagnosed with a young adult malignancy.ConclusionLinked population‐based registry data indicate a modestly increased risk of ChYA in relatives of children with cancer. Some of the observed cancer clusters in the cohort suggest novel patterns and familial cancer syndromes.
Prognostic significance of an invasive leader cell–derived mutation cluster on chromosome 16q
Authors: Pedro Brian , Rupji Manali , Dwivedi Bhakti , Kowalski Jeanne , Konen Jessica M. , Owonikoko Taofeek K. , Ramalingam Suresh S. , Vertino Paula M. , Marcus Adam I. 
Published: April 2020

BackgroundIntratumoral heterogeneity is defined by subpopulations with varying genotypes and phenotypes. Specialized, highly invasive leader cells and less invasive follower cells are phenotypically distinct subpopulations that cooperate during collective cancer invasion. Because leader cells are a rare subpopulation that would be missed by bulk sequencing, a novel image‐guided genomics platform was used to precisely select this subpopulation. This study identified a novel leader cell mutation signature and tested its ability to predict prognosis in non–small cell lung cancer (NSCLC) patient cohorts.MethodsSpatiotemporal genomic and cellular analysis was used to isolate and perform RNA sequencing on leader and follower populations from the H1299 NSCLC cell line, and it revealed a leader‐specific mutation cluster on chromosome 16q. Genomic data from patients with lung squamous cell carcinoma (LUSC; n = 475) and lung adenocarcinoma (LUAD; n = 501) from The Cancer Genome Atlas were stratified by 16q mutation cluster (16qMC) status (16qMC+ vs 16qMC−) and compared for overall survival (OS), progression‐free survival (PFS), and gene set enrichment analysis (GSEA).ResultsPoorer OS, poorer PFS, or both were found across all stages and among early‐stage patients with 16qMC+ tumors within the LUSC and LUAD cohorts. GSEA revealed 16qMC+ tumors to be enriched for the expression of metastasis‐ and survival‐associated gene sets.ConclusionsThis represents the first leader cell mutation signature identified in patients and has the potential to better stratify high‐risk NSCLC and ultimately improve patient outcomes.
Listwise learning to rank with extreme order sensitive constraint via cross‐correntropy
Authors: Liu Dezheng , Li Zhongyu , Ma Yuanyuan , Zhang Yulong 
Published: April 2020

SummaryIn information retrieval, learning to rank was originally proposed for ranking retrieved documents according to their relevance by machine learning techniques. In general, it can effectively improve the performance of critical ranking tasks, where the listwise approach is one of the most popular approaches adopted for ranking. However, considering that documents with more relevance receive greater attention, current ranking function based listwise approaches discriminate correctly ranked sequences with incorrect sequences; however, they are incapable of recognizing which incorrect sequences are relatively more satisfied. In this study, we propose a listwise approach based on an extreme order sensitive constraint to overcome the aforementioned drawback. We first define this constraint and then design a novel listwise loss function, ListXOS, based on the constraint via cross‐correntropy to improve the performance of ranking tasks. Experimental results on three public datasets present improved performance of learning to rank by 6% compared with conventional methods, which demonstrate the superiority of the proposed approach over related state‐of‐the‐art approaches.
Transformation of Metallic Ti to TiH2 Phase in the Ti/MgH2 Composite and Its Influence on the Hydrogen Storage Behavior of MgH2
Authors: Pukazhselvan D. , Sandhya Karakkadparambil Sankaran , Ramasamy Devaraj , Shaula Aliaksandr , Fagg Duncan Paul 
Published: April 2020

AbstractThe current work explores the in‐situ formation of TiH2 additive in a Ti/MgH2 nanocomposite system. Mild mechanical milling leaves Ti chemically unchanged, while formation of stable TiH2–x occurs upon strong mechanical milling. TiH2–x further transforms to TiH2 upon recycling the powder (dehydrogenation and subsequent hydrogenation) and lowers the activation energy of MgH2 to 89.4 kJ (mol H2)−1 [Ea of as‐received MgH2 is 153 kJ (mol H2)−1]. This work also reiterates that metallic Ti additive mixed MgH2 requires strong mechanical milling for better H2 ab/de‐sorption performance. The current observations support the view that lattice strain may be an important factor in the catalysis of additives incorporated MgH2 hydrogen storage systems.
A typology of nonsuicidal self‐injury in a clinical sample: A latent class analysis
Authors: Shahwan Shazana , Lau Jue Hua , Abdin Edimansyah , Zhang Yunjue , Sambasivam Rajeswari , Teh Wen Lin , Gupta Bhanu , Ong Say How , Chong Siow Ann , Subramaniam Mythily 
Published: April 2020

AbstractNonsuicidal self‐injury(NSSI) is a behavioural concern and can present in diverse ways, varying by method, frequency, severity, function and so forth. The possible combinations of these features of NSSI produce an array of profiles that makes evaluation and management of this behaviour challenging. The aim of this study was to build upon previous work that reduces the heterogeneity of NSSI patterns by using latent class analysis (LCA) to identify a typology of NSSI. Participants consisted of 235 outpatients aged 14–35 years attending a tertiary psychiatric hospital in Singapore who had reported at least one NSSI behaviour within the last year. Eight indicators captured using the Functional Assessment of Self‐Mutilation were used in the LCA: frequency of NSSI, length of contemplation before engaging in NSSI, usage of more than three NSSI methods, suicidal ideation and four psychological functions of NSSI, that is, social‐positive, social‐negative, automatic‐positive and automatic‐negative. The LCA revealed three distinct groups: Class 1—Experimental/Mild NSSI, Class 2—Multiple functions NSSI/Low Suicide Ideation and Class 3—Multiplefunctions NSSI/Possible Suicide Ideation. Multinomial logistic regression analyses were conducted to examine the associations between class membership and sociodemographic variables as well as measures of emotion dysregulation, childhood trauma, depression and quality of life. Females were overrepresented in Class 3. In general, Class 3 had the poorest scores followed by Class 2. Our analyses suggest that different NSSI subtypes require different treatment indications. Profiling patterns of NSSI may be a potentially useful step in guiding treatment plans and strategies.
Recurrent selection for improved seed germination results in greater seedling growth potential
Authors: Dhakal Kundan , Springer Tim L. 
Published: April 2020

AbstractRapid seedling development increases the probability of stand establishment. This research investigated the seedling growth of three little bluestem [Schizachyrium scoparium (Michx.) Nash] populations (NU‐1, UC‐2, and UO‐2), three selection generations (Recurrent Selection Cycles 0 [C0], 1 [C1], and 2 [C2]), and four seedling ages (3‐, 4‐, 5‐, and 6‐wk‐old seedlings). Lines NU‐1 C1 and NU‐1 C2 were developed from NU‐1 C0 using two cycles of recurrent selection for increased seed germination at a low water potential. Other lines were created similarly from UC‐2 C0 and UO‐2 C0. The greenhouse experiment was a three‐by‐three‐by‐four factorial of population, generation, and age in a randomized complete block design replicated nine times and repeated twice. Root length, shoot height, and root and shoot biomass varied with population and generation, and shoot/root ratio varied with population (P ≤ .01). Root length averaged 17.6 cm among populations and ranged from 16.4 cm for generation C0 to 18.3 cm for C2. Shoot height averaged 7.0 cm among populations and ranged from 6.5 cm for generation C0 to 8.3 cm for C2. Root biomass averaged 13.5 mg among populations and ranged from 11.3 mg for generation C0 to 16.5 mg for C2. Shoot biomass averaged 13.0 mg among populations and ranged from 11.1 mg for generation C0 to 15.8 mg for C2. Shoot/root ratio varied from 0.87 for population UC‐2 to 1.06 for NU‐1. Plant materials with rapid seedling growth should lead to better establishment and persistence.
The Synthesis of Primary Amines through Reductive Amination Employing an Iron Catalyst
Authors: Bäumler Christoph , Bauer Christof , Kempe Rhett 
Published: April 2020

AbstractThe reductive amination of ketones and aldehydes by ammonia is a highly attractive method for the synthesis of primary amines. The use of catalysts, especially reusable catalysts, based on earth‐abundant metals is similarly appealing. Here, the iron‐catalyzed synthesis of primary amines through reductive amination was realized. A broad scope and a very good tolerance of functional groups were observed. Ketones, including purely aliphatic ones, aryl–alkyl, dialkyl, and heterocyclic, as well as aldehydes could be converted smoothly into their corresponding primary amines. In addition, the amination of pharmaceuticals, bioactive compounds, and natural products was demonstrated. Many functional groups, such as hydroxy, methoxy, dioxol, sulfonyl, and boronate ester substituents, were tolerated. The catalyst is easy to handle, selective, and reusable and ammonia dissolved in water could be employed as the nitrogen source. The key is the use of a specific Fe complex for the catalyst synthesis and an N‐doped SiC material as catalyst support.
Task scheduling using edge computing system in smart city
Authors: Zheng Xiao , Li Mingchu , Guo Jun 
Published: April 2020

SummaryA smart city will become an inevitable trend of social development. It includes many Cyber Physical Systems (CPSs) that can be endowed with different levels of intelligence. With the combination of CPS and cloud computing, smart sensor cloud system becomes popular in many areas where the physical nodes can be shared with multiple users, which can obtain high performance computing. In view of this idea, this paper studies the specific application of smart city‐online task scheduling. We treat each task as a physical node, and the scheduling of multiple computing tasks is to achieve sustainable services. However, when a physical sensor node receives commands from multiple tasks simultaneously, namely, resource conflict management problem. This conflicting resource management problem leads to the failures of services. To solve the resource conflict problem, we propose an extended Hungarian algorithm based on edge computing, which can obtain smaller delay and achieve sustainable service. Edge computing can be viewed as a buffer and controller between CPS and the cloud and can build a sustainable service system by handling malicious attacks. The experimental results show that our proposed method can effectively reduce resource conflicts, improve resource utilization, and make services more sustainable.
Obesity and SARS‐CoV‐2: A population to safeguard
Authors: Watanabe Mikiko , Risi Renata , Tuccinardi Dario , Baquero Claudia J , Manfrini Silvia , Gnessi Lucio 
Published: April 2020

AbstractEvidence has lately emerged regarding an increased risk of SARS‐CoV‐2 with worse prognosis in patients with obesity, especially among the young. Weight excess is a well‐established respiratory disease risk factor, and the newly reported correlation is therefore unsurprising. The underlying pathophysiology is likely multi‐stranded, ranging from complement system hyperactivation, increased Interleukin‐6 secretion, chronic inflammation, presence of comorbidities such as diabetes and hypertension, and a possible local, detrimental effect within the lung. Further understanding the link between obesity and SARS‐CoV‐2 is crucial, as this could aid proper tailoring of immunomodulatory treatments, together with improving stratification among those possibly requiring critical care.
Taxonomic error rates affect interpretations of a national‐scale ground beetle monitoring program at National Ecological Observatory Network
Authors: Egli Lauren , LeVan Katherine E. , Work Timothy T. 
Published: April 2020

AbstractParataxonomists are responsible for taxonomic identifications in large‐scale biodiversity monitoring programs. However, they may lack formal taxonomic training, and thus, quantifying error rate in identification is paramount for evaluating data quality of larger biomonitoring efforts. In large‐scale biomonitoring in particular, parataxonomist error rate could vary among regions with different species richness and composition. Here, we tested whether error rates in identification of ground beetles (Coleoptera: Carabidae) by parataxonomists increased in regions with greater species richness throughout the National Ecological Observatory Network (NEON), a national biomonitoring network spanning the United States. We compared identifications made by both parataxonomist and experts of 33,516 specimens collected between 2013 and 2017 from 18 ecoclimatic regions and analyzed error rates across ecoclimatic regions as a function of total richness identified by taxonomic experts. We then compared the additional level of taxonomic support that would be required to resolve identifications to species‐level identifications. We demonstrated the extent to which parataxonomist error rate can affect interpretation of common objectives of biomonitoring results, such as comparisons of species richness between ecoclimatic regions and capacity to identify target species of interest such as non‐indigenous species. Overall parataxonomist error rate was 11.1% and did not increase in regions with greater species richness. Expert taxonomists were required to resolve parataxonomist identifications to species in an additional 16% of specimens. With an average error rate of 11.1%, species richness estimates based on parataxonomists generally mirrored richness determined by experts. However, parataxonomist error rates as low as 5% were sufficient to misrepresent the gradient of species richness across ecoclimatic regions. Parataxonomist errors also led to false detection/missed detections of non‐indigenous species. As error rates were not influenced by increasing species richness, our study suggests that parataxonomists may be used consistently in large‐scale biomonitoring efforts to amplify the abilities of taxonomists by increasing the quantity and speed in which specimens are processed. However, our study also highlights that due to parataxonomist limitations, a subset of their materials must be regularly verified by professionals to ensure the quality of data collected.