bluuebunny/crossref_metadata_2025_split huggingface dataset:
HONO emission and production determined from airborne measurements over the Southeast U.S.
Authors: Neuman J. A. , Trainer M. , Brown S. S. , Min K.‐E. , Nowak J. B. , Parrish D. D. , Peischl J. , Pollack I. B. , Roberts J. M. , Ryerson T. B. , Veres P. R. 
Published: July 2016

AbstractThe sources and distribution of tropospheric nitrous acid (HONO) were examined using airborne measurements over the Southeast U.S. during the Southeast Nexus Experiment in June and July 2013. HONO was measured once per second using a chemical ionization mass spectrometer on the NOAA WP‐3D aircraft to assess sources that affect HONO abundance throughout the planetary boundary layer (PBL). The aircraft flew at altitudes between 0.12 and 6.4 km above ground level on 18 research flights that were conducted both day and night, sampling emissions from urban and power plant sources that were transported in the PBL. At night, HONO mixing ratios were greatest in plumes from agricultural burning, where they exceeded 4 ppbv and accounted for 2–14% of the reactive nitrogen emitted by the fires. The HONO to carbon monoxide ratio in these plumes from flaming stage fires ranged from 0.13 to 0.52%. Direct HONO emissions from coal‐fired power plants were quantified using measurements at night, when HONO loss by photolysis was absent. These direct emissions were often correlated with total reactive nitrogen with enhancement ratios that ranged from 0 to 0.4%. HONO enhancements in power plant plumes measured during the day were compared with a Lagrangian plume dispersion model, showing that HONO produced solely from the gas phase reaction of OH with NO explained the observations. Outside of recently emitted plumes from known combustion sources, HONO mixing ratios measured several hundred meters above ground level were indistinguishable from zero within the 15 parts per trillion by volume measurement uncertainty. The results reported here do not support the existence of a ubiquitous unknown HONO source that produces significant HONO concentrations in the lower troposphere.
Microdialysis to Optimize Cord Perfusion and Drug Delivery in Spinal Cord Injury
Authors: Phang Isaac , Zoumprouli Argyro , Papadopoulos Marios C. , Saadoun Samira 
Published: July 2016

ObjectiveThere is lack of monitoring from the injury site to guide management of patients with acute traumatic spinal cord injury. Here, we describe a bedside microdialysis monitoring technique for optimizing spinal cord perfusion and drug delivery at the injury site.MethodsFourteen patients were recruited within 72 hours of severe spinal cord injury. We inserted intradurally at the injury site a pressure probe, to monitor continuously spinal cord perfusion pressure, and a microdialysis catheter, to monitor hourly glycerol, glutamate, glucose, lactate, and pyruvate. The pressure probe and microdialysis catheter were placed on the surface of the injured cord.ResultsMicrodialysis monitoring did not cause serious complications. Spinal cord perfusion pressure 90 to 100mm Hg and tissue glucose >4.5mM minimized metabolic derangement at the injury site. Increasing spinal cord perfusion pressure by ∼10mm Hg increased the entry of intravenously administered dexamethasone at the injury site 3‐fold.InterpretationThis study determined the optimum spinal cord perfusion pressure and optimum tissue glucose concentration at the injury site. We also identified spinal cord perfusion pressure as a key determinant of drug entry into the injured spinal cord. Our findings challenge current guidelines, which recommend maintaining mean arterial pressure at 85 to 90mm Hg for a week after spinal cord injury. We propose that future drug trials for spinal cord injury include pressure and microdialysis monitoring to optimize spinal cord perfusion and maximize drug delivery at the injury site. Ann Neurol 2016;80:522–531
Simultane Bestimmung spektraler Eigenschaften und Größen von multiplen Partikeln in Lösung mit Subnanometer‐Auflösung
Authors: Karabudak Engin , Brookes Emre , Lesnyak Vladimir , Gaponik Nikolai , Eychmüller Alexander , Walter Johannes , Segets Doris , Peukert Wolfgang , Wohlleben Wendel , Demeler Borries , Cölfen Helmut 
Published: July 2016

AbstractWir berichten über eine Weiterentwicklung auf Grundlage der analytischen Ultrazentrifugation, durch welche Partikelgrößen direkt in Lösung mit Sub‐nm‐Auflösung charakterisiert werden können. Erreicht wird diese Auflösung durch die simultane Messung von UV/Vis‐Spektren, während die einzelnen Komponenten der Mischung hydrodynamisch aufgetrennt werden. Durch die Aufrüstung der analytischen Ultrazentrifuge mit einem neuartigen Multiwellenlängendetektor wird der traditionellen hydrodynamischen Charakterisierung eine weitere spektrale Dimension hinzugefügt, was den Informationsgehalt vervielfacht. Die Leistungsfähigkeit der Messmethode wird durch die Charakterisierung von CdTe‐Nanopartikeln verdeutlicht, wobei keine Aufreinigung und Fraktionierung der Nanopartikeln in einzelne, scheinbar monodisperse Fraktionen erforderlich ist. Durch unsere Untersuchungen konnten wir zum ersten Mal die reinen spektralen Eigenschaften und Bandlücken von diskreten CdTe‐Nanopartikelspezies in einer Mischung messen.
Photosensitive antibacterial and cytotoxicity performances of a TiO2/carboxymethyl chitosan/poly(vinyl alcohol) nanocomposite hydrogel by in situ radiation construction
Authors: Li Yue‐Sheng , Han Yan , Qin Jiang‐Tao , Song Zhi‐Yong , Cai Hua‐Hua , Du Ji‐Fu , Sun Shao‐Fa , Liu Yi 
Published: July 2016

ABSTRACTNano‐TiO2/carboxymethyl chitosan (CMCS)/poly(vinyl alcohol) (PVA) ternary nanocomposite hydrogels were prepared by freezing–thawing cycles and electron‐beam radiation with PVA, CMCS, and nano‐TiO2 as raw materials. The presence of nano‐TiO2 nanoparticles in the composite hydrogels was confirmed by thermogravimetry, Fourier transform infrared spectroscopy, and X‐ray powder diffraction. Field emission scanning electron microscopy images also illustrated that the TiO2/CMCS/PVA hydrogel exhibited a porous and relatively regular three‐dimensional network structure; at the same time, there was the presence of embedded nano‐TiO2 throughout the hydrogel matrix. In addition, the nano‐TiO2/CMCS/PVA composite hydrogels displayed significant antibacterial activity with Escherichia coli and Staphylococcus aureus as bacterial models. The antibacterial activity was demonstrated by the antibacterial circle method, plate count method, and cell density method. Also, with the Alamar Blue assay, the cytotoxicity of the composite hydrogel materials to L929 cells was studied. The results suggest that these materials had no obvious cytotoxicity. Thus, we may have developed a novel, good biocompatibility hydrogel with inherent photosensitive antibacterial activity with great potential for applications in the fields of cosmetics, medical dressings, and environmental protection. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 44150.
Summer ozone concentrations in the vicinity of the Great Salt Lake
Authors: Horel John , Crosman Erik , Jacques Alexander , Blaylock Brian , Arens Seth , Long Ansley , Sohl John , Martin Randal 
Published: July 2016

AbstractResidents near the Great Salt Lake in northern Utah, USA have been exposed to ozone levels during recent summers exceeding the current United States National Ambient Air Quality Standard. Accurately forecasting those exceedances has been difficult as a result of the complex meteorological and photochemical processes fostering them. To help improve such forecasts, a low‐cost field study was conducted during summer 2015 to provide comprehensive observations of boundary‐layer ozone concentrations in the context of the prevailing meteorological conditions. A network of surface ozone sensors was supplemented by sensors mounted on vehicles, a public transit light‐rail car, news helicopter, tethered sonde, and unmanned aerial vehicle. The temporal and spatial evolution of boundary‐layer ozone concentrations were compared with the prevailing regional and local meteorological conditions on the basis of gridded operational analyses, surface weather stations, and additional sensors deployed for the field study. High ozone concentrations during June 2015 resulted primarily from local processes while smoke transported from distant wildfires contributed to elevated ozone concentrations during August. The Great Salt Lake influenced ozone concentrations along the Wasatch Front through several mechanisms, most importantly its impact on local wind circulations. The highest ozone concentrations were often found in a narrow zone between the Great Salt Lake and the urban regions to its south and east. Observations from multiple fixed site and mobile platforms during 18–19 August illustrate the complex variations in ozone concentrations as a function of elevation at the surface as well as vertically through the deep boundary layer.
Cultivation of Microalgae in Municipal Wastewater and Conversion by Hydrothermal Carbonization: A Review
Authors: Hupfauf Benjamin , Süß Michael , Dumfort Alexander , Fuessl‐Le Heidrun 
Published: July 2016

AbstractThe idea of growing microalgae in wastewaters emerges from the idea of resource conservation and the recovery of nutrients. In fact, microalgae are able to take up nitrogen, phosphorus and carbon from wastewaters, even adsorb metals, and in many cases, can be co‐cultivated with various bacteria that are prevailing in municipal wastewater treatment plants. The cultivation of microalgae in municipal wastewater has been known for about half a century and investigated accordingly. Despite this long history, there are still many questions to answer before this technology will be ready for implementation in large‐scale projects. In this review, recent developments are presented. One crucial point in developing a viable process out of wastewater grown algae is the downstream processing of the accumulated algal biomass. The authors decided to focus on hydrothermal carbonization (HTC) as a processing strategy. HTC uses wet biomass and relatively mild process conditions to produce an energy‐rich biochar and a liquid fraction that can be further processed to higher‐value substances. The latest findings in the carbonization of microalgae are highlighted in the second part of this article.
Cellular Cations Control Conformational Switching of Inositol Pyrophosphate Analogues
Authors: Hager Anastasia , Wu Mingxuan , Wang Huanchen , Brown Nathaniel W. , Shears Stephen B. , Veiga Nicolás , Fiedler Dorothea 
Published: July 2016

AbstractThe inositol pyrophosphate messengers (PP‐InsPs) are emerging as an important class of cellular regulators. These molecules have been linked to numerous biological processes, including insulin secretion and cancer cell migration, but how they trigger such a wide range of cellular responses has remained unanswered in many cases. Here, we show that the PP‐InsPs exhibit complex speciation behaviour and propose that a unique conformational switching mechanism could contribute to their multifunctional effects. We synthesised non‐hydrolysable bisphosphonate analogues and crystallised the analogues in complex with mammalian PPIP5K2 kinase. Subsequently, the bisphosphonate analogues were used to investigate the protonation sequence, metal‐coordination properties, and conformation in solution. Remarkably, the presence of potassium and magnesium ions enabled the analogues to adopt two different conformations near physiological pH. Understanding how the intrinsic chemical properties of the PP‐InsPs can contribute to their complex signalling outputs will be essential to elucidate their regulatory functions.
Donor‐Appended N,C‐Chelate Organoboron Compounds: Influence of Donor Strength on Photochromic Behaviour
Authors: Mellerup Soren K. , Yuan Kang , Nguyen Carmen , Lu Zheng‐Hong , Wang Suning 
Published: July 2016

AbstractRecently, four‐coordinated N,C‐chelate organoboron compounds have been found to show many interesting photochemical transformations depending on the nature of their chelating framework. As such, the effect of substitution on the chelate ligand has been well‐established and understood, but the impact of the aryl groups attached to the boron atom remains less clear. To investigate the effect of enhanced charge‐transfer character, a series of new N,C‐chelate organoboron compounds with donor‐functionalized aryl groups have been synthesized and characterized using NMR, UV/Vis, and electrochemical methods. These compounds were found to possess bright and tunable charge‐transfer luminescence which is dependent on the donor strength of the amino substituent. In addition, some of these compounds undergo photochromic switching, producing dark isomers of various colors. This work establishes that donor‐functionalization of the aryl groups in N,C‐chelate boron compounds is an effective strategy for tuning both the photophysical and photochemical properties of such systems. The new findings also help elucidate the influence of electronic structure on the photoreactivity of N,C‐chelate organoboron compounds which appears to be as important as steric crowding around the boron atom.
Intermediates Formed in the Reactions of Organocuprates with α,β‐Unsaturated Nitriles
Authors: Putau Aliaksei , Brand Harald , Koszinowski Konrad 
Published: July 2016

AbstractConjugate additions of organocuprates are of outstanding importance for organic synthesis. To improve our mechanistic understanding of these reactions, we have used electrospray ionization mass spectrometry for the identification of the ionic intermediates formed upon the treatment of LiCuR2⋅LiCN (R=Me, Bu, Ph) with a series of α,β‐unsaturated nitriles. Acrylonitrile, the weakest Michael acceptor included, did not afford any detectable intermediates. Fumaronitrile (FN) yielded adducts of the type Lin−1CunR2n(FN)n−, n=1–3. When subjected to fragmentation in the gas phase, these adducts were not converted into the conjugate addition products, but re‐dissociated into the reactants. In contrast, the reaction with 1,1‐dicyanoethylene furnished the products of the conjugate addition without any observable intermediates. Tri‐ and tetracyanoethylene proved to be quite reactive as well. The presence of several cyano groups in these substrates opened up reaction pathways different from simple conjugate additions, however, and led to dimerization and substitution reactions. Moreover, the gas‐phase fragmentation behavior of the species formed from these substrates indicated the occurrence of single‐electron transfer processes. Additional quantum‐chemical calculations provided insight into the structures and stabilities of the observed intermediates and their consecutive reactions.
Process Development for Separation of Conformers from Derivatives of Resorcin[4]arenes and Pyrogallol[4]arenes
Authors: Patil Rahul S. , Zhang Chen , Atwood Jerry L. 
Published: July 2016

AbstractMacrocyclic compounds, such as resorcin[4]arenes and pyrogallol[4]arenes, have proven to be useful building blocks in the construction of supramolecular organic frameworks (SOFs) because of their unique bowl‐like shape and ability to interact through variety of intermolecular interactions. Herein, we report the synthesis and crystal structures of two functionalized resorcin[4]arenes and pyroagllol[4]arenes, 4‐hydroxyphenylresorcin[4]arenes, and 4‐hydroxyphenylpyrogallol[4]arenes. These phenyl‐functionalized macrocycles usually have different conformers, such as cone, boat, chair, saddle, and diamond. The successful separation of predominant conformers from the crude product was carried out with solvent‐extraction technique. The shape and molecular arrangement of these conformers in the individual crystal structure was verified with single‐crystal X‐ray diffraction studies.
Nanoconfinement Inside Molecular Metal Oxide Clusters: Dynamics and Modified Encapsulation Behavior
Authors: Wang Zhe , Daemen Luke L. , Cheng Yongqiang , Mamontov Eugene , Bonnesen Peter V. , Hong Kunlun , Ramirez‐Cuesta Anibal J. , Yin Panchao 
Published: July 2016

AbstractEncapsulation behavior, as well as the presence of internal catalytically active sites, has been spurring the applications of a 3 nm hollow spherical metal oxide cluster {Mo132} as an encapsulation host and a nanoreactor. Due to its well‐defined and tunable cluster structures, and nanoscaled internal void space comparable to the volumes of small molecules, this cluster provides a good model to study the dynamics of materials under nanoconfinement. Neutron scattering studies suggest that bulky internal ligands inside the cluster show slower and limited dynamics compared to their counterparts in the bulk state, revealing the rigid nature of the skeleton of the internal ligands. NMR studies indicate that the rigid internal ligands that partially cover the interfacial pore on the molybdenum oxide shells are able to block some large guest molecules from going inside the capsule cluster, which provides a convincing protocol for size‐selective encapsulation and separation.
Surface Nanostructures Composed of Thiolated Cyclodextrin/Au and Fe Species: Gas‐ and Liquid‐Phase Preparation
Authors: Halaszova Sona , Jerigova Monika , Lorenc Dusan , Prochazka Michal , Velic Dusan 
Published: July 2016

AbstractThe front cover artwork, designed by Dr. Daniel Repovsky, is provided by Prof. Dusan Velic, Sona Halaszova, Dr. Monika Jerigova, Michal Prochazka, and Dr. Dusan Lorenc. The image shows thiolated cyclodextrin molecules attached to a gold surface together with laser ablated iron and iron oxide species forming supramolecular surface nanostructures. Read the full text of the article at 10.1002/cphc.201600318.
Synthesis of Diphenylchalcogenophene Diboronic Acid Bis(pinacol) Esters and Halogen Photoelimination from Tellurium by Triplet–Triplet Annihilation
Authors: Li Peng‐Fei , Carrera Elisa I. , Seferos Dwight S. 
Published: July 2016

AbstractThe synthesis of diphenylthiophene‐, diphenylselenophene‐, and diphenyltellurophene‐based diboronic bis(pinacol) esters and their optoelectronic properties is reported. The addition of bromine to the borylated diaryltellurophene and subsequent photoelimination are investigated. The photochemical quantum yield of bromine photoelimination is (9.7±0.2) % at a 4.4 m trap (2,3‐dimethyl‐1,3‐butadiene) concentration. It is found that the bromine photoelimination reaction can also be driven by the incorporation of a triplet sensitizer through a triplet–triplet annihilation process.
Efficient resource allocation for network‐assisted multi‐link device‐to‐device communication
Authors: Chithra R. , Bestak Robert , Patra Sarat Kumar 
Published: July 2016

SummaryThe network‐assisted device‐to‐device (D2D) communication as an underlay to cellular spectrum has attracted much attention for local area connectivity as a means to improve the cellular spectrum utilization. D2D communication as an underlay to cellular network open up various challenges including appropriate mode selection, spectral utilization, power control and efficient resource allocation. In this article, we study these issues to guarantee the quality‐of‐service requirements for the users, and a three‐step scheme is proposed. The proposed scheme first performs a mode selection procedure to choose the transmission mode of each user equipments (UEs). Then, a clustering scheme is developed to group the links that can share a common resource to improve the spectral efficiency. For the selection of suitable cellular UEs for each cluster whose resource can be shared, a cluster head selection algorithm is also developed. Finally, the expression for maximum number of links that the radio resource of shared UE can support is analytically derived. The performance of the proposed scheme is evaluated using a WINNER II A1 indoor office model. The results show that by proper management, D2D communication can effectively improve the total throughput than conventional cellular communication. From the results, it is clear that the proposed cluster head selection scheme is able to take advantage of both residual power requirement and the power requirement of UEs. Copyright © 2016 John Wiley & Sons, Ltd.
13,000 years of fire history derived from soil charcoal in a British Columbia coastal temperate rain forest
Authors: Hoffman K. M. , Gavin D. G. , Lertzman K. P. , Smith D. J. , Starzomski B. M. 
Published: July 2016

AbstractLittle is known regarding the fire history of high‐latitude coastal temperate rain forests in the Pacific Northwest (PNW) of North America. While reconstructing historical fire regimes typically requires dendrochronological records from fire‐scarred trees or stratigraphically preserved lake sediment data, this type of information is virtually non‐existent in this region. To describe the long‐term fire history of a site on the central coast of British Columbia, Canada, we radiocarbon‐dated 52 pieces of charcoal. Charcoal ages ranged from 12,670 to 70 yr BP. Fires occurred regularly since 12,670 yr BP, with the exception of a distinct fire‐free period at 7500–5500 yr BP. Time since fire (TSF) estimates from soil charcoal and fire‐scarred trees ranged from 12,670 to 100 yr BP (median = 327 yr), and 70% of the sites examined had burned within the past 1000 yr. An increase in fire frequency in the late Holocene is consistent with the widely held hypothesis that anthropogenic fires were common across the PNW. We evaluate TSF distributions and discuss the difficulties in assigning actual fire dates from charcoal fragments with large inbuilt ages in a coastal temperate rain forest setting. We determine that a comprehensive approach using soil charcoal and fire scar analyses is necessary to reconstruct general trends in fire activity throughout the Holocene in this region.
Review of Local In Situ Probing Techniques for the Interfaces of Lithium‐Ion and Lithium–Oxygen Batteries
Authors: Schwager Patrick , Bülter Heinz , Plettenberg Inka , Wittstock Gunther 
Published: July 2016

AbstractElectrodes in lithium‐ion and post‐lithium‐ion batteries are made of composite materials exposing a variety of different surfaces towards the electrolyte. This causes a distribution of current densities and consequently locally different changes of interfaces and bulk materials that might be critical for the performance and durability of secondary batteries. The optimization of local structures of battery materials is hindered by a lack of local techniques that provide in situ reactivity information from such hidden interfaces. A variety of new electrochemical scanning probe techniques are currently adapted to the investigation of battery materials under near‐realistic environmental conditions. The review provides a critical assessment of this development with a particular emphasis on the assessment of the passivating properties of solid–electrolyte interphases, the extension of the concepts to lithium–oxygen cells, and attempts to image ion intercalation reactions.
Characteristics of Methane Adsorption in Micro–Mesoporous Carbons at Low and Ultra‐High Pressure
Authors: Saha Dipendu , Fieback Tobias M. , Tom Babitha 
Published: July 2016

AbstractAdsorbed natural gas (ANG) provides a better alternative for onboard storage of methane. We have measured methane adsorption at low pressure (∼1 bar) and ultrahigh pressure (∼400 bar) for three different micro‐mesoporous carbons. The highest methane uptake was below 70 % in near‐ambient temperature and 400 bar, or 25 % at 35 bar. Although gravimetric uptake is lower than the Department of Energy (DoE) target, a comparative study suggests that this adsorption amount is higher than that of most of the metal–organic frameworks (MOFs) and all covalent–organic frameworks (COFs). The highest volumetric methane uptake was above 500 v/v at ca. 400 bar or ∼200 v/v at 35 bar (293 K), which exceeded the DoE volumetric target for methane storage and is higher than most MOFs and COFs. Heat of adsorption values are within the range of 38 to 21 kJ mol−1 in the low‐adsorption regime, higher than most MOFs or COFs. The overall results suggest that carbon‐based adsorbents still remain the most promising adsorbents for the ANG process.