bluuebunny/crossref_metadata_2025_split huggingface dataset:
CoP‐Doped MOF‐Based Electrocatalyst for pH‐Universal Hydrogen Evolution Reaction
Authors: Liu Teng , Li Peng , Yao Na , Cheng Gongzhen , Chen Shengli , Luo Wei , Yin Yadong 
Published: February 2019

AbstractAlthough electrocatalysts based on transition metal phosphides (TMPs) with cationic/anionic doping have been widely studied for hydrogen evolution reaction (HER), the origin of performance enhancement still remains elusive mainly due to the random dispersion of dopants. Herein, we report a controllable partial phosphorization strategy to generate CoP species within the Co‐based metal‐organic framework (Co‐MOF). Density functional theory calculations and experimental results reveal that the electron transfer from CoP to Co‐MOF through N‐P/N‐Co bonds could lead to the optimized adsorption energy of H2O (ΔG
) and hydrogen (ΔGH*), which, together with the unique porous structure of Co‐MOF, contributes to the remarkable HER performance with an overpotential of 49 mV at a current density of 10 mA cm−2 in 1 m phosphate buffer solution (PBS, pH 7.0). The excellent catalytic performance exceeds almost all the documented TMP‐based and non‐noble‐metal‐based electrocatalysts. In addition, the CoP/Co‐MOF hybrid also displays Pt‐like performance in 0.5 m H2SO4 and 1 m KOH, with the overpotentials of 27 and 34 mV, respectively, at a current density of 10 mA cm−2.
Development of microsatellite markers for a monotypic and globally endangered species, Glyptostrobus pensilis (Cupressaceae)
Authors: Wang Gang‐Tao , Wang Zheng‐Feng , Wang Rui‐Jiang , Liang Dan , Jiang Guo‐Bin 
Published: February 2019

Premise of the StudyMicrosatellite markers were developed to facilitate studies of genetic diversity and structure in Glyptostrobus pensilis, a critically endangered and monotypic conifer species.Methods and ResultsUsing restriction site–associated DNA sequencing (RAD‐Seq), we developed 10 polymorphic and 27 monomorphic microsatellite markers. Polymorphism was characterized using 333 individuals from nine populations. The number of alleles per locus ranged from one to 14 at the population level. The levels of observed and unbiased expected heterozygosities varied from 0.058 to 0.844 and 0.219 to 0.583, respectively. Nine of these 10 polymorphic markers were successfully cross‐amplified in Taxodium distichum, the species most closely related to G. pensilis.ConclusionsThese microsatellite markers can be used to reveal the genetic diversity in existing populations of G. pensilis, enabling its conservation and restoration.
Ring Size Effects on Multi‐Stimuli Responsive Luminescent Properties of Cyclic Amine Substituted β‐Diketones and Difluoroboron Complexes
Authors: Wang Fang , Song Daniel , Dickie Diane A. , Fraser Cassandra L. 
Published: February 2019

AbstractEmissive β‐diketones (bdks) and difluoroboron complexes (BF2bdks) show multi‐stimuli responsive luminescence in both solution and the solid state. A series of bdk ligands and boron coordinated dyes were synthesized with different cyclic amine substituents in the 4‐position to explore ring size effects on various luminescent properties, including solvatochromism, viscochromism, aggregation‐induced emission (AIE), mechanochromic luminescence (ML) and halochromism. Red‐shifted absorption and emission were observed in CH2Cl2 for both bdk ligands and boron dyes with increasing substituent ring size. The compounds displayed bathochromic emission in more polar solvents, and higher fluorescence intensity in more viscous media. The AIE compounds exhibited enhanced emission when aggregated. For solid‐state properties, a large emission wavelength shift was shown for the piperidine substituted bdk after melt quenching on weighing paper. Large blue‐shifted emissions were observed in all the boron dye spin cast films after trifluoroacetic acid vapor annealing, and the original emissions were partially recovered after triethylamine vapor treatment.
Predicting the Outcome of Photocyclisation Reactions: A Joint Experimental and Computational Investigation
Authors: Wonanke A. D. Dinga , Ferguson Jayne L. , Fitchett Christopher M. , Crittenden Deborah L. 
Published: February 2019

AbstractPhotochemical oxidative cyclodehydrogenation reactions are a versatile class of aromatic ring‐forming reactions. They are tolerant to functional group substitution and heteroatom inclusion, so can be used to form a diverse range of extended polyaromatic systems by fusing existing ring substituents. However, despite their undoubted synthetic utility, there are no existing models—computational or heuristic—that predict the outcome of photocyclisation reactions across all possible classes of reactants. This can be traced back to the fact that “negative” results are rarely published in the synthetic literature and the lack of a general conceptual framework for understanding how photoexcitation affects reactivity. In this work, we address both of these issues. We present experimental data for a series of aromatically substituted pyrroles and indoles, and show that quantifying induced atomic forces upon photoexcitation provides a powerful predictive model for determining whether a given reactant will photoplanarise and hence proceed to photocyclised product under appropriate reaction conditions. The propensity of a molecule to photoplanarise is related to localised changes in charge distribution around the putative forming ring upon photoexcitation. This is promoted by asymmetry in molecular structures and/or charge distributions, inclusion of heteroatoms and ethylene bridging and well‐separated or isolated photocyclisation sites.
Relation between adaptive function and IQ among youth with histories of heavy prenatal alcohol exposure
Authors: Doyle Lauren R. , Coles Claire D. , Kable Julie A. , May Philip A. , Sowell Elizabeth R. , Jones Kenneth L. , Riley Edward P. , Mattson Sarah N. ,   the CIFASD
Published: February 2019

AbstractBackgroundAdaptive function and general intellectual function are two important and often correlated domains. While youth with prenatal alcohol exposure frequently demonstrate impairments in both domains, it is not clear whether the relation between these domains is consistent across levels of ability or whether, for example, adaptive function is less affected by intellectual function at higher ability levels. The aim of the current study was to test this relation in youth with and without prenatal alcohol exposure.MethodsAs part of the Collaborative Initiative on Fetal Alcohol Spectrum Disorders, Phase II, subjects with heavy prenatal alcohol exposure (AE) and nonexposed subjects with and without other clinical conditions or concerns (CON) completed a comprehensive neurobehavioral battery. Multiple regression analyses tested the relation between full scale IQ (FSIQ) and overall adaptive function. Interaction terms between Group and each variable were created to formally test for group differences. Three subsequent regression analyses tested which adaptive function domains (Communication, Daily Living Skills, Socialization) significantly contributed to results. Follow‐up analyses examined correlations based on IQ range (low IQ <85; high IQ ≥85).ResultsThe interaction between FSIQ and Group on overall adaptive function was significant; the relationship between FSIQ and adaptive function was weaker in the AE group than in the CON group. Regarding specific adaptive function domains, the interaction between FSIQ and Group was significant only in the Communication domain. Follow‐up analyses showed, within the low IQ range, the correlation between FSIQ and Communication was stronger in the CON group than the AE group. Within the high IQ range, the correlation between FSIQ and Communication was significant only in the CON group.ConclusionsAlthough higher intellectual functioning was associated with better adaptive function ability among controls, this was not found among the alcohol‐exposed youth where a general dampening of adaptive ability was noted. Further, the differential relationship between IQ and adaptive function between groups appears to be driven by communication abilities. These findings suggest that level of intellectual functioning of children with prenatal alcohol exposure does not fully account for caregiver‐reported communication and overall adaptive function deficits particularly at higher levels of functioning.
Testing random effects in linear mixed‐effects models with serially correlated errors
Authors: Drikvandi Reza , Noorian Sajad 
Published: February 2019

AbstractIn linear mixed‐effects models, random effects are used to capture the heterogeneity and variability between individuals due to unmeasured covariates or unknown biological differences. Testing for the need of random effects is a nonstandard problem because it requires testing on the boundary of parameter space where the asymptotic chi‐squared distribution of the classical tests such as likelihood ratio and score tests is incorrect. In the literature several tests have been proposed to overcome this difficulty, however all of these tests rely on the restrictive assumption of i.i.d. measurement errors. The presence of correlated errors, which often happens in practice, makes testing random effects much more difficult. In this paper, we propose a permutation test for random effects in the presence of serially correlated errors. The proposed test not only avoids issues with the boundary of parameter space, but also can be used for testing multiple random effects and any subset of them. Our permutation procedure includes the permutation procedure in Drikvandi, Verbeke, Khodadadi, and Partovi Nia (2013) as a special case when errors are i.i.d., though the test statistics are different. We use simulations and a real data analysis to evaluate the performance of the proposed permutation test. We have found that random slopes for linear and quadratic time effects may not be significant when measurement errors are serially correlated.
Synthesis and Biological Activity of Some Benzochromenoquinolinones: Tacrine Analogs as Potent Anti‐Alzheimer's Agents
Authors: Mahdavi Mohammad , Hariri Roshanak , Mirfazli Seyedeh Sara , Lotfian Hania , Rastergari Arezoo , Firuzi Omidreza , Edraki Najmeh , Larijani Bagher , Akbarzadeh Tahmineh , Saeedi Mina 
Published: February 2019

AbstractAlzheimer's disease (AD) is a well‐known neurodegenerative disorder affecting millions of old people worldwide and the corresponding epidemiological data emphasize the importance of the disease. As AD is a multifactorial illness, various single target directed drugs that have reached clinical trials have failed. Therefore, various factors associated with outset of AD have been considered in targeted drug discovery. In this work, various benzochromenoquinolinones were synthesized and evaluated for their cholinesterase and BACE1 inhibitory activities as well as neuroprotective and metal‐chelating properties. Among the synthesized compounds, 14‐amino‐13‐(3‐nitrophenyl)‐2,3,4,13‐tetrahydro‐1H‐benzo[6,7]chromeno[2,3‐b]quinoline‐7,12‐dione (6m) depicted the best inhibitory activity toward acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) with IC50s of 0.86 and 6.03 μm, respectively. Also, the compound could inhibit β‐secretase 1 (BACE1) with IC50=19.60 μm and showed metal chelating ability toward Cu2+, Fe2+, and Zn2+. In addition, docking study demonstrated desirable interactions of compound 6m with amino acid residues characterizing AChE, BChE, and BACE1.
A new Sherriff in town: Vascular calcium meets its match
Authors: Auberson Denise , Gray William A. 
Published: February 2019

Key Points

Severe vascular calcification in femoropopliteal disease is associated with worse short‐ and long‐term outcomes.
Intravascular lithotripsy therapy causes micro‐fractures in intimal and medial calcium at low‐pressure inflations. This results acute luminal gain, with minimal vessel injury in calcified lesions.
Ongoing trials will determine the benefit of intravascular lithotripsy as an adjunct to drug coated balloons in peripheral vascular disease.
Great report, food for thought, or wait a second?
Authors: Butman Samuel 
Published: February 2019

Key Points

In this retrospective report, earlier intervention in NSTEMI reduced the composite outcome and mortality at 1 year.
However, earlier intervention did not significantly reduce the composite outcome or mortality at 30 days.
Reminder: retrospective (even propensity‐matched) trials may suggest differences that prospective randomized trials may or may not support
Hybrid 2.0: Subintimal plaque modification for facilitation of future success in chronic total occlusion percutaneous coronary intervention
Authors: Hall Allison B. , Brilakis Emmanouil S. 
Published: February 2019

Key Points

The Subintimal Tracking and Reentry (STAR) technique is not suitable for routine use during chronic total occlusion percutaneous coronary intervention due to side branch loss and long stent length, leading to high restenosis and re‐occlusion rates.
STAR without stenting (also called subintimal plaque modification [SPM]) can be used as a bailout strategy in CTO PCI, when standard crossing attempts fail. Repeat angiography is performed 2–4 months later, often showing lumen reconstitution and dissection healing, at which time the intervention can be successfully completed in many cases.
Subintimal plaque modification may become an important element of the expanded hybrid algorithm. Four parameters are constantly being evaluated during the procedure: radiation dose, contrast volume, procedure time and risk of the remaining treatment options, to determine if the procedure needs to stop. Before stopping, SPM may be used to facilitate future success.
Design and Structural Evolution of Matrix Metalloproteinase Inhibitors
Authors: Fischer Thomas , Senn Nicole , Riedl Rainer 
Published: February 2019

AbstractMatrix metalloproteinases (MMPs) are involved in a multitude of severe diseases. Despite MMPs being considered druggable targets, past drug‐discovery programs have not delivered the anticipated clinical benefits. This review examines the latest structural evolution of small‐molecule inhibitors of MMPs, with a focus on the development of novel chemical entities with improved affinity and selectivity profiles. X‐ray crystallographic data of the protein targets and cocrystal structures with inhibitors proved to be key for the success achieved during this ambitious endeavor. An evolutionary view on the structural diversity generated for this class of molecules is provided. This encouraging development paves the way for the clinical utilization of this class of highly relevant therapeutic targets. The structure‐based design of superior MMP inhibitors highlights the power of this technique and displays strategies for the development of treatment options based on the modulation of challenging drug targets.
Origin of Selectivity of a Triazinyl Ligand for Americium(III) over Neodymium(III)
Authors: Dan David , Celis‐Barros Cristian , White Frankie D. , Sperling Joseph M. , Albrecht‐Schmitt Thomas E. 
Published: February 2019

Abstract[M(EtBTP)3][BPh4]3⋅3 CH3CN (M=Nd, Am; EtBTP=2,6‐bis(5,6‐diethyl‐1,2,4‐triazin‐3‐yl)pyridine) have been synthesized from reactions of MCl3⋅n H2O with EtBTP in acetonitrile followed by anion metathesis. Structural analysis reveals that these compounds contain M3+cations bound by tridentate EtBTP ligands to create a tricapped trigonal prismatic geometry around the metal centers. Collection of high‐resolution, single‐crystal X‐ray diffraction data also allowed reduction in bond lengths esd's, such that a slight contraction of Δ=0.0158(18) Å in the Am−N versus Nd−N bond lengths was observed, even though these cations ostensibly have matching ionic radii. Theoretical evaluation revealed enhanced metal–ligand bonding through back donation in the [Am(EtBTP)3]3+complex that is absent in [Nd(EtBTP)3]3+.
Tuning the Selectivity of AuPd Nanoalloys towards Selective Dehydrogenative Alkyne Silylation
Authors: Wissing Maren , Studer Armido 
Published: February 2019

AbstractThe cross‐dehydrogenative coupling of terminal alkynes and hydrosilanes catalyzed by AuPd nanoalloys is described. Metal nanoparticles are readily prepared in 15 minutes from commercially available and cheap starting materials by using a photochemical approach. The ratio of Au and Pd in the alloys heavily influences their reactivity. These cooperative nanoalloy catalysts tolerate a large number of functional groups (e.g., free amines and acids), operate at room temperature under air atmosphere at low loading (2 mol %), and the cross‐dehydrogenative coupling can easily be scaled up.
A rule‐based method to model myocardial fiber orientation in cardiac biventricular geometries with outflow tracts
Authors: Doste Ruben , Soto‐Iglesias David , Bernardino Gabriel , Alcaine Alejandro , Sebastian Rafael , Giffard‐Roisin Sophie , Sermesant Maxime , Berruezo Antonio , Sanchez‐Quintana Damian , Camara Oscar 
Published: February 2019

AbstractRule‐based methods are often used for assigning fiber orientation to cardiac anatomical models. However, existing methods have been developed using data mostly from the left ventricle. As a consequence, fiber information obtained from rule‐based methods often does not match histological data in other areas of the heart such as the right ventricle, having a negative impact in cardiac simulations beyond the left ventricle. In this work, we present a rule‐based method where fiber orientation is separately modeled in each ventricle following observations from histology. This allows to create detailed fiber orientation in specific regions such as the endocardium of the right ventricle, the interventricular septum, and the outflow tracts. We also carried out electrophysiological simulations involving these structures and with different fiber configurations. In particular, we built a modeling pipeline for creating patient‐specific volumetric meshes of biventricular geometries, including the outflow tracts, and subsequently simulate the electrical wavefront propagation in outflow tract ventricular arrhythmias with different origins for the ectopic focus. The resulting simulations with the proposed rule‐based method showed a very good agreement with clinical parameters such as the 10 ms isochrone ratio in a cohort of nine patients suffering from this type of arrhythmia. The developed modeling pipeline confirms its potential for an in silico identification of the site of origin in outflow tract ventricular arrhythmias before clinical intervention.
Traffic modeling and performance evaluation of SDN‐based NB‐IoT access network
Authors: Chen Xin , Li Zhuo , Chen Ying , Du Bing , Zhang Yongchao 
Published: February 2019

SummaryNarrow Band Internet of Things (NB‐IoT) is a cellular‐based low power wide area network (LPWAN) radio technology, which can provide highly reliable services and wide coverage for IoT devices. Software defined networking (SDN) as an emerging network architecture can realize flexible resource allocation and network management. We introduce SDN into NB‐IoT and investigate the traffic modeling and performance evaluation of SDN‐based NB‐IoT access network. To evaluate the network performance in different environments, we introduce the Beta/D/1, Uniform/D/1, and M/D/1 queuing models, respectively. The proposed queuing models are suitable for different scenarios, in which NB‐IoT devices access the network in a highly synchronized, unsynchronized, or stochastic manner. We use the general solution to the G/G/1 and the M/G/1 queuing model to solve the proposed modeling problems. Through simulations, we investigate the influence of different network parameters. The analysis and simulation results can be used in the SDN controller to dynamically allocate resources and make network management decisions to satisfy different performance requirements of NB‐IoT applications.
Exploring Ternary and Quaternary Mixtures in the LiBH4‐NaBH4‐KBH4‐Mg(BH4)2‐Ca(BH4)2 System
Authors: Dematteis Erika M. , Pistidda Claudio , Dornheim Martin , Baricco Marcello 
Published: February 2019

AbstractBinary combinations of borohydrides have been extensivly investigated evidencing the formation of eutectics, bimetallic compounds or solid solutions. In this paper, the investigation has been extended to ternary and quaternary systems in the LiBH4‐NaBH4‐KBH4‐Mg(BH4)2‐Ca(BH4)2 system. Possible interactions among borohydrides in equimolar composition has been explored by mechanochemical treatment. The obtained phases were analysed by X‐ray diffraction and the thermal behaviour of the mixtures were analysed by HP‐DSC and DTA, defining temperature of transitions and decomposition reactions. The release of hydrogen was detected by MS, showing the role of the presence of solid solutions and multi‐cation compounds on the hydrogen desorption reactions. The presence of LiBH4 generally promotes the release of H2 at about 200 °C, while KCa(BH4)3 promotes the release in a single‐step reaction at higher temperatures.
Artificial Restriction DNA Cutter Using Nuclease S1 for Site‐Selective Scission of Genomic DNA
Authors: Rajendran Arivazhagan , Shigi Narumi , Sumaoka Jun , Komiyama Makoto 
Published: February 2019

AbstractBy combining a pair of pseudo‐complementary peptide nucleic acids (pcPNAs) with S1 nuclease, a novel tool to cut DNA at a predetermined site can be obtained. Complementary pcPNAs invade the DNA duplex and base pair to each strand of a target site, creating single‐stranded regions that are cleaved by S1 nuclease. The scission site can be freely modulated by the design of pcPNAs. This method can be used to cleave a single site in the human genome. This protocol presents experimental details for site‐selective scission using this versatile new tool. © 2019 by John Wiley & Sons, Inc.
Isolation of Neural Stem Cells from Whole Brain Tissues of Adult Mice
Authors: Deshpande Krutika , Saatian Behnaz , Martirosian Vahan , Lin Michelle , Julian Alex , Neman Josh 
Published: February 2019

AbstractA population of neural stem cells exists in the adult mammalian central nervous system. Purification and characterization of neurospheres provide valuable tools to study the regulation and differentiation of neural stem cells both in vitro and in vivo. Successful stimulation and production of neurospheres can ultimately be used for therapeutic purposes. The currently available methods are limited by their poor yield and the large number of animals required to compensate for that. Here, we describe a procedure to purify neurospheres from adult mouse whole brain. We provide detailed steps on how to propagate, passage, and maintain the adult neurospheres, and how to differentiate the pure neurospheres into the lineage of interest. Using this method, neurospheres can be easily derived from adult mouse whole brain. The derived adult neurospheres maintain their homogenous undifferentiated status while retaining their differentiation potential. This new protocol facilitates adult neurospheres isolation, purification, maintenance, and differentiation. © 2019 by John Wiley & Sons, Inc.