bluuebunny/crossref_metadata_2025_split huggingface dataset:
Dating violence and physical health: A longitudinal lens on the significance of relationship dynamics and anti‐social lifestyle characteristics
Authors: Copp Jennifer E. , Giordano Peggy C. , Longmore Monica A. , Manning Wendy D. 
Published: October 2016

AbstractBackgroundScholars have documented the significant physical health consequences of intimate partner violence. Yet, because existing research draws primarily on clinical samples of adult women, it is unclear whether exposure to dating violence is related to health detriments among young men and women. Furthermore, data limitations largely have precluded consideration of the mechanisms underlying these previously observed associations.AimsWe sought to examine the direct association between dating violence and self‐rated physical health during adolescence and across the transition to adulthood. We also directed attention to potential mediating and confounding factors, including negative relationship dynamics, anti‐social lifestyle characteristics and physical health correlates.MethodsDrawing on five waves of data from the Toledo Adolescent Relationships Study (n = 3746 person‐periods), we used growth curve analyses to examine these associations among a sample of young men and women in dating relationships.ResultsLongitudinal analyses revealed that dating violence was associated with declines in self‐rated physical health across the period from adolescence to young adulthood. This effect, however, was attenuated with the inclusion of negative relationship dynamics.ConclusionsFindings suggest the need to further examine the physical health consequences of dating violence, with a particular focus on the relationship context and other potential confounding forces. Copyright © 2016 John Wiley & Sons, Ltd.
Palladium‐Mediated Ethylation of the Imidazolium Cation Monitored In Operando on a Solid Catalyst with Ionic Liquid Layer
Authors: Bauer Tanja , Hager Veit , Williams Marc B. , Laurin Mathias , Döpper Tibor , Görling Andreas , Szesni Normen , Wasserscheid Peter , Haumann Marco , Libuda Jörg 
Published: October 2016

AbstractThe ionic liquid 1‐ethyl‐3‐methylimidazolium ethylsulfate [EMIM][EtOSO3] was supported on Pd‐Al2O3 to yield a solid catalyst with ionic liquid layer (SCILL) material. During the hydrogenation of ethene, it was found that ethene was incorporated into the imidazolium moiety in a reaction catalyzed by the palladium surface. The formation of 1,2‐diethyl‐3‐methylimidazolium ethylsulfate was confirmed ex situ by means of NMR spectroscopy. Moreover, the reaction itself could be monitored in situ by diffuse reflection infrared Fourier transformation (DRIFT) spectroscopy. A reaction mechanism involving surface carbene species was proposed on the basis of the analytical data.
Conventional Proportional‐Integral Control of a Dividing‐Wall Distillation Column with Discrete Measurements
Authors: Zavala‐Guzmán Alan M. , Hernández‐Escoto Héctor , Hernández Salvador , Barroso‐Muñoz Fabricio O. , Segovia‐Hernández Juan G. 
Published: October 2016

AbstractThe problem of controlling an energy‐efficient dividing‐wall distillation column (DWDC) with a discrete key variable measurement is addressed. Usually, controllers are tuned in a systematic and simultaneous way, based on a certain control system configuration and conventional discrete proportional‐integral controllers. The same stable pole‐assignment approach to linear dynamics is followed here that approximately describes the convergence of each control loop. Tuning relationships in terms of sampling time and predecessor parameters of physical insight are obtained. The control system performance is simulated for disturbance rejection in an energy‐efficient DWDC for separating a ternary mixture of benzene, toluene, and xylene. This tuning technique can be effective with a sampling time as long as that corresponding to current measurement instruments.
Technical, Economic, and Environmental Assessment of the Hydrothermal Carbonization of Green Waste
Authors: Zeymer Martin , Meisel Kathleen , Clemens Andreas , Klemm Marco 
Published: October 2016

AbstractThe attempt to transition from a fossil‐based to a bio‐based economy is putting increased pressure on the limited amount of available biomass. Concentrating on biogenic waste matter that is currently not put to use, such as green waste, may be one way of tapping potential additional raw materials. Hydrothermal carbonization (HTC) processes are particularly well suited for converting this green waste into valuable energy sources. The results show that HTC coal can currently only compete economically with fossil energy sources in an ideal context. However, there is potential for cost reduction. Additionally, there is a clear potential for reducing greenhouse gas (GHG) emissions compared with fossil fuels and the GHG mitigation costs are within the standard range of other biogenic means of supplying heat.
Static and Dynamic, but not Pulsed High‐Pressure Treatment Efficiently Inactivates Yeast
Authors: Izydor Marika , Hainthaler Markus , Gaipl Udo S. , Frey Benjamin , Schlücker Eberhard 
Published: October 2016

AbstractStatic high‐pressure (HP) treatment has become a powerful tool for preserving foodstuffs, allowing high inactivation rates and minimal adverse effects on valuable components. Due to HP maxima and batch mode conditions, it is restricted to high‐grade products. To overcome these restrictions, dynamic HP offers the possibility of a quasi‐continuous mode of operation. The effects of three different HP treatments (static, pulsed, and dynamic) on yeast were investigated. The inactivation efficiency and membrane damage increase with increasing pressure or pressure holding time. The cells do not show higher sensitivity to fast and repeated depressurization, and the number of pressure pulses plays only a minor role in inducing membrane damage. A form of programmed cell death could not be detected.
Organometallic Derivatization of the Nematocidal Drug Monepantel Leads to Promising Antiparasitic Drug Candidates
Authors: Hess Jeannine , Patra Malay , Rangasamy Loganathan , Konatschnig Sandro , Blacque Olivier , Jabbar Abdul , Mac Patrick , Jorgensen Erik M. , Gasser Robin B. , Gasser Gilles 
Published: October 2016

AbstractThe discovery of novel drugs against animal parasites is in high demand due to drug‐resistance problems encountered around the world. Herein, the synthesis and characterization of 27 organic and organometallic derivatives of the recently launched nematocidal drug monepantel (Zolvix®) are described. The compounds were isolated as racemates and were characterized by 1H, 13C, and 19F NMR spectroscopy, mass spectrometry, and IR spectroscopy, and their purity was verified by microanalysis. The molecular structures of nine compounds were confirmed by X‐ray crystallography. The anthelmintic activity of the newly designed analogues was evaluated in vitro against the economically important parasites Haemonchus contortus and Trichostrongylus colubriformis. Moderate nematocidal activity was observed for nine of the 27 compounds. Three compounds were confirmed as potentiators of a known monepantel target, the ACR‐23 ion channel. Production of reactive oxygen species may confer secondary activity to the organometallic analogues. Two compounds, namely, an organic precursor (3 a) and a cymantrene analogue (9 a), showed activities against microfilariae of Dirofilaria immitis in the low microgram per milliliter range.
Heteroatom‐Doped Porous Carbon Nanosheets: General Preparation and Enhanced Capacitive Properties
Authors: Hao Xiaodong , Wang Jie , Ding Bing , Shen Laifa , Xu Yunling , Wang Ya , Chang Zhi , Dou Hui , Lu Xiangjun , Zhang Xiaogang 
Published: October 2016

AbstractHigh‐performance electrical double‐layer capacitors (EDLCs) require carbon electrode materials with high specific surface area, short ion‐diffusion pathways, and outstanding electrical conductivity. Herein, a general approach combing the molten‐salt method and chemical activation to prepare N‐doped carbon nanosheets with high surface area (654 m2 g−1) and adjustable porous structure is presented. Owing to their structural features, the N‐doped carbon nanosheets exhibited superior capacitive performance, demonstrated by a maximum capacitance of 243 F g−1 (area‐normalized capacitance up to 37 μF cm−2) at a current density of 0.5 A g−1 in aqueous electrolyte, high rate capability (179 F g−1 at 20 A g−1), and excellent cycle stability. This method provides a new route to prepare porous and heteroatom‐doped carbon nanosheets for high‐performance EDLCs, which could also be extended to other polymer precursors and even waste biomass.
Periphery‐Functionalized Porous Organic Cages
Authors: Reiss Paul S. , Little Marc A. , Santolini Valentina , Chong Samantha Y. , Hasell Tom , Jelfs Kim E. , Briggs Michael E. , Cooper Andrew I. 
Published: October 2016

AbstractBy synthesizing derivatives of a trans‐1,2‐diaminocyclohexane precursor, three new functionalized porous organic cages were prepared with different chemical functionalities on the cage periphery. The introduction of twelve methyl groups (CC16) resulted in frustration of the cage packing mode, which more than doubled the surface area compared to the parent cage, CC3. The analogous installation of twelve hydroxyl groups provided an imine cage (CC17) that combines permanent porosity with the potential for post‐synthetic modification of the cage exterior. Finally, the incorporation of bulky dihydroethanoanthracene groups was found to direct self‐assembly towards the formation of a larger [8+12] cage, rather than the expected [4+6], cage molecule (CC18). However, CC18 was found to be non‐porous, most likely due to cage collapse upon desolvation.
Doubly N‐Fused [24]Pentaphyrin Silicon Complex and Its Fluorosilicate: Enhanced Möbius Aromaticity in the Fluorosilicate
Authors: Ishida Shin‐ichiro , Kim Jun Oh , Kim Dongho , Osuka Atsuhiro 
Published: October 2016

AbstractTreatment of nonaromatic N‐fused [24]pentaphyrin with trichloromethylsilane in the presence of a base afforded doubly N‐fused [24]pentaphyrin and its silicon complex. Addition of fluoride ion to the silicon complex led to the formation of its fluorosilicate as an unprecedented monoanionic six‐coordinated SiIV complex of porphyrinoid. Treatment of the fluorosilicate with acid led to the recovery of the silicon complex. The doubly N‐fused pentaphyrin, the silicon complex, and the fluorosilicate were all characterized as distinct Möbius aromatic molecules by spectroscopic measurements and X‐ray crystallographic analyses. Importantly, the second N‐fusion reaction, Si‐incorporation and fluoride addition to the Si‐atom enhanced the aromaticity of doubly N‐fused [24]pentaphyrins in this order. Tamao–Fleming oxidation of the silicon complex gave β‐keto doubly N‐fused pentaphyrin and triply fused [24]pentaphyrin, which were nonaromatic and Hückel anti‐aromatic, respectively.
A Multi‐responsive Regenerable Europium–Organic Framework Luminescent Sensor for Fe3+, CrVI Anions, and Picric Acid
Authors: Liu Wei , Huang Xin , Xu Cong , Chen Chunyang , Yang Lizi , Dou Wei , Chen Wanmin , Yang Huan , Liu Weisheng 
Published: October 2016

AbstractA novel luminescent microporous lanthanide metal–organic framework (Ln‐MOF) based on a urea‐containing ligand has been successfully assembled. Structural analysis revealed that the framework features two types of 1D channels, with urea N−H bonds projecting into the pores. Luminescence studies have revealed that the Ln‐MOF exhibits high sensitivity, good selectivity, and a fast luminescence quenching response towards Fe3+, CrVI anions, and picric acid. In particular, in the detection of Cr2O72− and picric acid, the Ln‐MOF can be simply and quickly regenerated, thus exhibiting excellent recyclability. To the best of our knowledge, this is the first example of a multi‐responsive luminescent Ln‐MOF sensor for Fe3+, CrVI anions, and picric acid based on a urea derivative. This Ln‐MOF may potentially be used as a multi‐responsive regenerable luminescent sensor for the quantitative detection of toxic and harmful substances.
Hydroperoxyl Radicals (HOO.): Vitamin E Regeneration and H‐Bond Effects on the Hydrogen Atom Transfer
Authors: Cedrowski Jakub , Litwinienko Grzegorz , Baschieri Andrea , Amorati Riccardo 
Published: October 2016

AbstractHydroperoxyl (HOO.) and alkylperoxyl (ROO.) radicals show a different behavior in H‐atom‐transfer processes. Both radicals react with an analogue of α‐tocopherol (TOH), but HOO., unlike ROO., is able to regenerate TOH by a fast H‐atom transfer: TO.+HOO.→TOH+O2. The kinetic solvent effect on the H‐atom transfer from TOH to HOO. is much stronger than that observed for ROO. because noncovalent interactions with polar solvents (Solv⋅⋅⋅HOO.) destabilize the transition state.
The Me3NB12Cl11. Radical: A Strong One‐Electron Oxidizing Agent
Authors: Bertocco Philipp , Bolli Christoph , Derendorf Janis , Jenne Carsten , Klein Axel , Stirnat Kathrin 
Published: October 2016

AbstractStrong oxidizing agents often contain fluorine and are not compatible with substrates forming strong element–fluorine bonds. Therefore, there is need for new strong oxidizers. Cyclic voltammetric measurements on the weakly coordinating anion [Me3NB12Cl11]− in liquid SO2 revealed an oxidation wave at +2.59 V versus Fc0/+. The oxidation of Na[Me3NB12Cl11] with AsF5 in liquid sulfur dioxide gives the boron‐cluster‐based radical Me3NB12Cl11. as a dark blue solid in quantitative yield. The radical was characterized by vibrational, NMR, and EPR spectroscopy and by its crystal structure. To explore the potential of the radical Me3NB12Cl11. to act as a strong oxidizing agent, it was reacted with different compounds having high ionization energies. Thianthrene (ionization energy 7.8 eV) and hexabromobenzene (8.8 eV) were oxidized to the corresponding cations. The reaction with elemental iodine (9.3 eV) gave the [I5]+ cation. These reactive cations are stabilized in the solid state by the weakly coordinating anion [Me3NB12Cl11]−, which was formed as a reduced product in the oxidation reactions.
Synthesis Strategies for Ultrastable Zeolite GIS Polymorphs as Sorbents for Selective Separations
Authors: Oleksiak Matthew D. , Ghorbanpour Arian , Conato Marlon T. , McGrail B. Peter , Grabow Lars C. , Motkuri Radha Kishan , Rimer Jeffrey D. 
Published: October 2016

AbstractInvited for the cover of this issue are the groups of R. K. Motkuri and J. D. Rimer at the Pacific Northwest National Laboratory and University of Houston, respectively. The image depicts bulk sorbents that can be used for separations, a microscopic image of a zeolite crystal framework, and an individual pore operating as a size‐exclusion sieve. Read the full text of the article at 10.1002/chem.201602653.
Hierarchical Analysis of Self‐Assembled PEGylated Hexaphenylalanine Photoluminescent Nanostructures
Authors: Diaferia Carlo , Sibillano Teresa , Balasco Nicole , Giannini Cinzia , Roviello Valentina , Vitagliano Luigi , Morelli Giancarlo , Accardo Antonella 
Published: October 2016

AbstractDespite the growing literature about diphenylalanine‐based peptide materials, it still remains a challenge to delineate the theoretical insight into peptide nanostructure formation and the structural features that could permit materials with enhanced properties to be engineered. Herein, we report the synthesis of a novel peptide building block composed of six phenylalanine residues and eight PEG units, PEG8‐F6. This aromatic peptide self‐assembles in water in stable and well‐ordered nanostructures with optoelectronic properties. A variety of techniques, such as fluorescence, FTIR, CD, DLS, SEM, SAXS, and WAXS allowed us to correlate the photoluminescence properties of the self‐assembled nanostructures with the structural organization of the peptide building block at the micro‐ and nanoscale. Finally, a model of hexaphenylalanine in aqueous solution by molecular dynamics simulations is presented to suggest structural and energetic factors controlling the formation of nanostructures.
Flory‐Huggins solution theory for heavy oils
Authors: Mohan Vijitha , Neogi Parthasakha , Bai Baojun 
Published: October 2016

AbstractThe addition of a solvent to heavy crude oil causes reduction in its viscosity and facilitates extraction. Existing data on swelling of oil in the presence of solvent in vapour form have been analyzed using the Flory‐Huggins theory. The model uses volume fractions and hence problems related to an appropriate average molecular weight of oil to use in the calculations are avoided. The data expressed in terms of swelling as a function of solvent partial pressure fit well with the model when the solvent vapour can condense and is miscible with oil or immiscible with oil or even when condensation is not possible. We are also able to predict when phase separation can occur (which we take to be asphaltene precipitation) in the solution although the above experiments have not looked at this aspect.
Heavy oil upgrading in a hydrodynamic cavitation system: CFD modelling, effect of the presence of hydrogen donor and metal nanoparticles
Authors: Askarian Mohammad , Vatani Ali , Edalat Mohsen 
Published: October 2016

The cavitation technique with the use of a proper hydrogen donor can be used to upgrade heavy oils, such as atmospheric and vacuum residues and lower the difficulties of their transportation and exploitation. On the other hand, the very high localized temperature experienced in collapsing bubbles may activate the dispersed metal nanoparticles, and therefore the cracking or hydrogenation reactions may be catalyzed through the cavitation process of heavy oils.This paper investigated numerically the formation of a vapour phase in the cavitation chamber of a home‐made laboratory hydrodynamic cavitation setup and also investigated the upgrading of a sample of heavy fuel oil in the presence of gasoline as a hydrogen donor and metal nanoparticles. The results indicated that adding 0.01 L/L gasoline to a 10‐min cavitational cracking process at 80 °C and atmospheric pressure can reduce the viscosity of heavy oil by about 20 %. In addition, the presence of iron nanoparticles can increase the rate of hydrogenation and/or cracking reactions in the heavy oil cavitational upgrading process (HCUP) in the presence of a hydrogen donor.
An implicit solver for 1D arterial network models
Authors: Carson Jason , Van Loon Raoul 
Published: October 2016

AbstractIn this study, the 1D blood flow equations are solved using a newly proposed enhanced trapezoidal rule method (ETM), which is an extension to the simplified trapezoidal rule method. At vessel junctions, the conservation of mass and conservation of total pressure are held as system constraints using Lagrange multipliers that can be physically interpreted as external flow rates. The ETM scheme is compared with published arterial network benchmark problems and a dam break problem. Strengths of the ETM scheme include being simple to implement, intuitive connection to lumped parameter models, and no restrictive stability criteria such as the Courant‐Friedrichs‐Lewy (CFL) number. The ETM scheme does not require the use of characteristics at vessel junctions, or for inlet and outlet boundary conditions. The ETM forms an implicit system of equations, which requires only one global solve per time step for pressure, followed by flow rate update on the elemental system of equations; thus, no iterations are required per time step. Consistent results are found for all benchmark cases, and for a 56‐vessel arterial network problem, it gives very satisfactory solutions at a spatial and time discretization that results in a maximum CFL of 3, taking 4.44 seconds per cardiac cycle. By increasing the time step and element size to produce a maximum CFL number of 15, the method takes only 0.39 second per cardiac cycle with only a small compromise on accuracy.
The corticospinal tract: Evolution, development, and human disorders
Authors: Welniarz Quentin , Dusart Isabelle , Roze Emmanuel 
Published: October 2016

ABSTRACTThe corticospinal tract (CST) plays a major role in cortical control of spinal cord activity. In particular, it is the principal motor pathway for voluntary movements. Here, we discuss: (i) the anatomic evolution and development of the CST across mammalian species, focusing on its role in motor functions; (ii) the molecular mechanisms regulating corticospinal tract formation and guidance during mouse development; and (iii) human disorders associated with abnormal CST development. A comparison of CST anatomy and development across mammalian species first highlights important similarities. In particular, most CST axons cross the anatomical midline at the junction between the brainstem and spinal cord, forming the pyramidal decussation. Reorganization of the pattern of CST projections to the spinal cord during evolution led to improved motor skills. Studies of the molecular mechanisms involved in CST formation and guidance in mice have identified several factors that act synergistically to ensure proper formation of the CST at each step of development. Human CST developmental disorders can result in a reduction of the CST, or in guidance defects associated with abnormal CST anatomy. These latter disorders result in altered midline crossing at the pyramidal decussation or in the spinal cord, but spare the rest of the CST. Careful appraisal of clinical manifestations associated with CST malformations highlights the critical role of the CST in the lateralization of motor control. © 2016 Wiley Periodicals, Inc. Develop Neurobiol 77: 810–829, 2017
Anatomical and functional neuroimaging in awake, behaving marmosets
Authors: Silva Afonso C. 
Published: October 2016

ABSTRACTThe common marmoset (Callithrix jacchus) is a small New World monkey that has gained significant recent interest in neuroscience research, not only because of its compatibility with gene editing techniques, but also due to its tremendous versatility as an experimental animal model. Neuroimaging modalities, including anatomical (MRI) and functional magnetic resonance imaging (fMRI), complemented by two‐photon laser scanning microscopy and electrophysiology, have been at the forefront of unraveling the anatomical and functional organization of the marmoset brain. High‐resolution anatomical MRI of the marmoset brain can be obtained with remarkable cytoarchitectonic detail. Functional MRI of the marmoset brain has been used to study various sensory systems, including somatosensory, auditory, and visual pathways, while resting‐state fMRI studies have unraveled functional brain networks that bear great correspondence to those previously described in humans. Two‐photon laser scanning microscopy of the marmoset brain has enabled the simultaneous recording of neuronal activity from thousands of neurons with single cell spatial resolution. In this article, we aim to review the main results obtained by our group and by our colleagues in applying neuroimaging techniques to study the marmoset brain. © 2016 Wiley Periodicals, Inc. Develop Neurobiol 77: 373–389, 2017