bluuebunny/crossref_metadata_2025 huggingface dataset:
Taphonomic inferences about Middle Pleistocene hominins: The human cranium of Gruta da Aroeira (Portugal)
Authors: Sanz Montserrat , Sala Nohemi , Daura Joan , Pantoja‐Pérez Ana , Santos Elena , Zilhão João , Arsuaga Juan Luis
Published: August 2018

Objectives

The aim of this work is to describe the taphonomic signatures of the Aroeira 3 cranium, with a specific focus on cranial breakage, comparing the cranium with other Middle and Upper Pleistocene hominin fossils in order to approximate the cause of death and the biological agencies and geologic processes involved in the taphonomic record of this specimen. Aroeira‐3 was recovered from Acheulean layer X of Gruta da Aroeira (Portugal), dated to 390–436 ka.

Materials and methods

Taphonomic analyses noted surface modifications employing standard methods. The cranial breakage pattern of Aroeira 3 was analyzed to assess the presence/absence of perimortem (fresh bone) and postmortem (dry bone) fractures and the possible causes of perimortem skull bone fractures.

Results

Aroeira 3 presents substantial bone loss of the left supraorbital arch and the outer cranial table of the frontal squama. Most of the fractures present features consistent with postmortem injuries. The fracture to the posterior region of the parietal bone, however, displays features more usually present in perimortem bone fractures. No evidence of anthropogenic activity or of carnivore modification has been identified. None of the expected features of interpersonal conflict are observed. Finally, the bone loss in the frontal squama and the supraorbital arch could be attributed to different agencies, and a traumatic event cannot be totally ruled out as origin of the bone alteration.

Discussion

Cannibalism, secondary treatment of the corpse and accumulation induced by carnivores can all be discarded, making an accident the most plausible explanation for the cranial fracture.
Cross‐sectional study of a United Kingdom cohort of neonatal vein of galen malformation
Authors: Lecce Francesca , Robertson Fergus , Rennie Adam , Heuchan Anne‐Marie , Lister Paula , Bhate Sanjay , Bhattacharya Jo , Brew Stefan , Kanagarajah Lakshmi , Kuczynski Adam , Peters Mark J. , Ridout Deborah , Schmitt Anne , Toolis Claire , Vargha‐Khadem Faraneh , Ganesan Vijeya
Published: August 2018

Objective

Describe the course and outcomes in a UK national cohort of neonates with vein of Galen malformation identified before 28 days of life.

Methods

Neonates with angiographically confirmed vein of Galen malformation presenting to 1 of 2 UK treatment centers (2006–2016) were included; those surviving were invited to participate in neurocognitive assessment. Results in each domain were dichotomized into “good” and “poor” categories. Cross‐sectional and angiographic brain imaging studies were systematically interrogated. Logistic regression was used to explore potential outcome predictors.

Results

Of 85 children with neonatal vein of Galen malformation, 51 had survived. Thirty‐four participated in neurocognitive assessment. Outcomes were approximately evenly split between “good” and “poor” categories across all domains, namely, neurological status, general cognition, neuromotor skills, adaptive behavior, and emotional and behavioral development. Important predictors of poor cognitive outcome were initial Bicêtre score ≤ 12 and presence of brain injury, specifically white matter injury, on initial imaging; in multivariate analysis, only Bicêtre score ≤ 12 remained significant.

Interpretation

Despite modern supportive and endovascular treatment, more than one‐third of unselected newborns with vein of Galen malformation did not survive. Outcome was good in around half of survivors. The importance of white matter injury suggests that abnormalities of venous as well as arterial circulation are important in the pathophysiology of brain injury. Ann Neurol 2018;84:547–555
Sharp and Tunable Crystal/Fano‐Type Resonances Enabled by Out‐of‐Plane Dipolar Coupling in Plasmonic Nanopatch Arrays
Authors: Taghinejad Mohammad , Taghinejad Hossein , Malak Sidney T. , Moradinejad Hesam , Woods Eric V. , Xu Zihao , Liu Yawei , Eftekhar Ali A. , Lian Tianquan , Tsukruk Vladimir V. , Adibi Ali
Published: August 2018

Tuning resonance lineshapes of plasmonic structures is essential to create customized media with compelling optical properties for optimized light–matter interactions. The diversity of available metals and the variety of design architectures provide a rich portfolio for statically controlling the resonance lineshape. However, dynamic tuning of resonance attributes (e.g., the resonance wavelength and linewidth) are yet to be more expanded, especially when a narrow resonance linewidth is on demand. Here, using a plasmonic nanopatch array, sharp plasmonic crystal (PC) resonances are demonstrated across a wide spectral range of 230 nm, with full‐width at half‐maximum of only ≈6 nm. The combination of angle‐resolved ellipsometry and full‐wave simulations shows that diffractive coupling of out‐of‐plane electric dipoles is the principal contributor in the formation of such sharp PC resonances. In addition, the designed nanopatch PC supports a plasmonic Fabry–Pérot‐like resonance that can be interfered with the PC resonance to generate complex Fano‐type lineshapes. The coexistence of tunable resonance features renders the designed structures as a rich platform for applications seeking enhanced light–matter interactions and optical signal processing.
Nicht‐dirigierte kreuz‐dehydrierende (Hetero)arylierung von Allyl‐C(sp3)‐H‐Bindungen mittels C‐H‐Aktivierung
Authors: Lerchen Andreas , Knecht Tobias , Koy Maximilian , Ernst Johannes B. , Bergander Klaus , Daniliuc Constantin G. , Glorius Frank
Published: August 2018

Wir berichten über eine selektive, nicht‐dirigierte und kreuz‐dehydrierende Kupplung von Allyl‐C(sp3)‐H‐Bindungen mit C(sp2)‐H‐Bindungen von Heteroarenen. Die entwickelte Methode nutzt einfache, reichlich vorkommende Ausgangsmaterialien an Olefinen sowie an Heteroaromaten und konnte zur Modifikation von Pharmazeutika in späten Synthesestufen angewendet werden. Weiterhin liefert das entdeckte System ausschließlich die allylischen C‐C‐Kupplungsprodukte, weshalb das Substitutionsmuster der Olefine für weitere Funktionalisierungen erhalten bleibt.
Enzymkaskadenreaktionen in der Biosynthese
Authors: Walsh Christopher T. , Moore Bradley S.
Published: August 2018

Enzym‐vermittelte Kaskadenreaktionen sind weit verbreitet. Um einen Vergleich mit den mechanistischen Kategorisierungen der komplementären Kaskadenreaktionen in der organischen Synthese zu ermöglichen sowie um die gemeinsamen Grundlagen aufzuzeigen, erörtern wir hier vier Arten von Enzymkaskadenreaktionen: vermittelt durch nucleophile, elektrophile, pericyclische und radikalische Reaktionen. Zwei Subtypen von Enzymen, die radikalische Kaskaden erzeugen, befinden sich an den entgegengesetzten Enden der Abundanzskala von Sauerstoff: Eisen‐basierte Enzyme nutzen O2, um hochvalente Eisen‐Oxo‐Spezies zu erzeugen, die nichtaktivierte C‐H‐Bindungen in Substraten homolytisch spalten und Gerüstumlagerungen einleiten. Am anaeroben Ende spalten Enzyme reversibel S‐Adenosylmethionin (SAM) unter Bildung des 5′‐Desoxyadenosyl‐Radikals als starkes Oxidans, um die homolytische Spaltung von C‐H‐Bindungen in gebundenen Substraten auszulösen. Die letztgenannten Enzyme werden als Radikal‐SAM‐Enzyme bezeichnet. Die erstgenannten Enzyme kategorisieren wir als “verhinderte Oxygenasen”.
Enantioselective Intramolecular Nicholas Reaction Catalyzed by Chiral Phosphoric Acid: Enantioconvergent Synthesis of Seven‐Membered Cyclic Ethers from Racemic Diols
Authors: Ota Yusuke , Kondoh Azusa , Terada Masahiro
Published: August 2018

An enantioconvergent intramolecular Nicholas reaction of racemic diols was developed using BINOL‐ and SPINOL‐derived phosphoric acids as the chiral Brønsted acid catalyst. The developed reaction features an efficient approach to the synthesis of seven‐membered cyclic ethers in a highly enantioselective manner. Further derivatization of the enantioenriched cyclic ethers, initiated by the de‐complexation of the dicobalt species, afforded densely functionalized cyclic ethers having an unsaturated diester moiety without loss of enantiomeric excess.
Endohedral Functionalized Cage as a Tool to Create Frustrated Lewis Pairs
Authors: Yang Jian , Chatelet Bastien , Dufaud Véronique , Hérault Damien , Michaud‐Chevallier Sabine , Robert Vincent , Dutasta Jean‐Pierre , Martinez Alexandre
Published: August 2018

A frustrated Lewis pair (FLP) system was obtained by confinement of the Lewis base partner, a Verkade's superbase, in a molecular cavity. Whereas the model superbase lacking cavity displayed no catalytic activity in Morita–Baylis–Hillman (MBH) reactions, when associated to titanium (IV) chloride, the encaged superbase turns out to be an efficient catalyst under the same conditions. The crucial role of the endohedral functionalized cage on catalytic performance was further demonstrated by the fact that model superbases with bulky substituents were much less efficient to produce active catalysts, as well as by inhibition and substrate selection experiments. 31P NMR spectroscopy and mass spectrometry experiments evidenced that no interaction between the Lewis acidic and basic partners occurred when the superbase was capped by a cycloveratrylene (CTV) unit, thus creating a true FLP active system.
Parallel and Precise Macroscopic Supramolecular Assembly through Prolonged Marangoni Motion
Authors: Cheng Mengjiao , Zhu Guiqiang , Li Lin , Zhang Shu , Zhang Dequn , Kuehne Alexander J. C. , Shi Feng
Published: August 2018

Macroscopic supramolecular assembly (MSA) is a rising concept in supramolecular science, in which building blocks with sizes exceeding 10 μm self‐assemble into larger structures. MSA faces the challenge of developing appropriate self‐propulsion strategies to improve the motility of the macroscopic building blocks. Although the Marangoni effect is an ideal driving force with random motion paths, excessive aggregation of the surfactant and fast decay of motion remain challenging problems. Hence, a molecular interference strategy to drive the self‐assembly over longer times by finely controlling the interfacial adsorption of surfactants using dynamic equilibria is proposed. Surfactant depletion through molecular recognition in the solution to oppose fast interfacial aggregation efficiently facilitates macroscopic motion and assembly. The resulting motility lifetime is extended remarkably from 120 s to 2200 s; with the improved kinetic energy, the assembly probability increases from 20 % to 100 %.
trans‐Cyclooctenes as Halolactonization Catalysts
Authors: Einaru Shunsuke , Shitamichi Kenta , Nagano Tagui , Matsumoto Akira , Asano Keisuke , Matsubara Seijiro
Published: August 2018

The strained olefins in trans‐cyclooctenes serve as efficient catalysts for halolactonizations, including bromolactonizations and iodolactonizations. The trans‐cyclooctene framework is essential for excellent catalytic performance, and the substituents also play important roles in determining efficiency. These results are the first demonstration of catalysis by a trans‐cyclooctene.
Oxygen‐Delivery Materials: Synthesis of an Open‐Cage Fullerene Derivative Suitable for Encapsulation of H2O2 and O2
Authors: Li Yanbang , Lou Ning , Xu Dan , Pan Changwang , Lu Xing , Gan Liangbing
Published: August 2018

An open‐cage [60]fullerene was prepared through a multiple‐step sequence based on peroxide‐mediated cage‐opening reactions. Key steps include repeated C60‐sensitized singlet‐oxygen oxidation of electron‐rich amino enol double bonds to form two lactone and two lactam moieties on the rim of the orifice. Single‐crystal X‐ray analysis shows that the 22‐membered orifice has an ellipsoid shape with the major axis at 6.7 Å and the minor axis at 3.5 Å. Encapsulation of H2O2 was observed under atmospheric pressure at room temperature. Oxygen is also effectively trapped during the process.
Amino‐Assisted Anchoring of CsPbBr3 Perovskite Quantum Dots on Porous g‐C3N4 for Enhanced Photocatalytic CO2 Reduction
Authors: Ou Man , Tu Wenguang , Yin Shengming , Xing Weinan , Wu Shuyang , Wang Haojing , Wan Shipeng , Zhong Qin , Xu Rong
Published: August 2018

Halide perovskite quantum dots (QDs) have great potential in photocatalytic applications if their low charge transportation efficiency and chemical instability can be overcome. To circumvent these obstacles, we anchored CsPbBr3 QDs (CPB) on NHx‐rich porous g‐C3N4 nanosheets (PCN) to construct the composite photocatalysts via N−Br chemical bonding. The 20 CPB‐PCN (20 wt % of QDs) photocatalyst exhibits good stability and an outstanding yield of 149 μmol h−1 g−1 in acetonitrile/water for photocatalytic reduction of CO2 to CO under visible light irradiation, which is around 15 times higher than that of CsPbBr3 QDs. This study opens up new possibilities of using halide perovskite QDs for photocatalytic application.
Highly Efficient Electroreduction of CO2 to Methanol on Palladium–Copper Bimetallic Aerogels
Authors: Lu Lu , Sun Xiaofu , Ma Jun , Yang Dexin , Wu Haihong , Zhang Bingxing , Zhang Jianling , Han Buxing
Published: August 2018

Electrochemical reduction of CO2 to CH3OH is of great interest. Aerogels have fine inorganic superstructure with high porosity and are known to be exceptional materials. Now a Pd−Cu bimetallic aerogel electrocatalyst has been developed for conversion of CO2 into CH3OH. The current density and Faradaic efficiency of CH3OH can be as high as 31.8 mA cm−2 and 80.0 % over the Pd83Cu17 aerogel at a very low overpotential (0.24 V). The superior performance of the electrocatalyst results from efficient adsorption and stabilization of the CO2 radical anion, high Pd0/PdII and CuI+Cu0/CuII ratios, and sufficient Pd/Cu grain boundaries of aerogel nanochains.
Synthesis and Characterization of Cs4Ga6Q11 (Q=S, Se): Chalcogenometalates with Exotic Polymeric Anions
Authors: Friedrich Daniel , Greim Dominik , Schlosser Marc , Siegel Renée , Senker Jürgen , Pfitzner Arno
Published: August 2018

Two new chalcogenogallates Cs4Ga6Q11 (Q=S, Se) were obtained by a controlled thermal treatment of CsN3 in the presence of stoichiometric amounts of Ga2Q3 and the elemental chalcogens at elevates temperatures. Both isotypic compounds crystallize in the space group P
(no. 2). The most prominent structural feature in these chalcogenogallates are the complex anionic Dreier double chains
[Ga6Q114−] formed by condensed GaQ4 tetrahedra. The semiconductors Cs4Ga6S11 (Eg=3.14 eV) and Cs4Ga6Se11 (Eg=2.41 eV) were further studied by using UV/Vis, 133Cs and 71Ga solid‐state NMR spectroscopy, and complementary DFT calculations. The 133Cs MAS NMR spectra are characteristic for cationic cesium and vibrational spectra show two distinct regions, attributed to the Ga–Q valence and deformation vibrations, respectively. High‐temperature studies revealed incongruent melting of both solids, which is also depicted in updated binary phase‐diagrams Cs2Q–Ga2Q3 (Q=S, Se).
Blocking EGFR Activation with Anti‐EGF Nanobodies via Two Distinct Molecular Recognition Mechanisms
Authors: Guardiola Salvador , Varese Monica , Sánchez‐Navarro Macarena , Vincke Cécile , Teixidó Meritxell , García Jesús , Muyldermans Serge , Giralt Ernest
Published: August 2018

One of the hallmarks of cancer is the overproduction of growth factors such as EGF. Despite the clinical success achieved by EGFR‐targeted therapies, their long‐term efficacy is compromised by the onset of drug‐resistant mutations. To address this issue, a family of camelid‐derived single‐domain antibodies (Nbs) were generated, obtaining the first direct EGF inhibitors that prevent EGFR phosphorylation and pathway activation through this new mechanism of action. The two best Nbs were subjected to a detailed investigation of their interaction mechanism that revealed important differences in their binding kinetics and equilibrium thermodynamics. These distinct behaviors at the biophysical level translate into an equally efficient inhibition of the cellular EGFR phosphorylation, thus proving the efficacy of these Nbs to turn off the initiation of this key oncogenic pathway in cancer cells.
Balancing Mechanical Stability and Ultrahigh Porosity in Crystalline Framework Materials
Authors: Hönicke Ines M. , Senkovska Irena , Bon Volodymyr , Baburin Igor A. , Bönisch Nadine , Raschke Silvia , Evans Jack D. , Kaskel Stefan
Published: August 2018

A new mesoporous metal–organic framework (MOF; DUT‐60) was conceptually designed in silico using Zn4O6+ nodes, ditopic and tritopic linkers to explore the stability limits of framework architectures with ultrahigh porosity. The robust ith‐d topology of DUT‐60 provides an average bulk and shear modulus (4.97 GPa and 0.50 GPa, respectively) for this ultra‐porous framework, a key prerequisite to suppress pore collapse during desolvation. Subsequently, a cluster precursor approach, resulting in minimal side product formation in the solvothermal synthesis, was used to produce DUT‐60, a new crystalline framework with the highest recorded accessible pore volume (5.02 cm3 g−1) surpassing all known crystalline framework materials.
Buckyball Difluoride F2−@C60+—A Single‐Molecule Crystal
Authors: Foroutan‐Nejad Cina , Straka Michal , Fernández Israel , Frenking Gernot
Published: August 2018

We report the F2@C60system as the first example of an endohedral fullerene in which C60acts as a cation C60+interacting with endohedral anion, F2−. Our state‐of‐the‐art computations reveal that in F2@C60, despite of the known high electron affinity of C60, an electron is transferred from C60to F2resulting in the F2−@C60+system. The F−F bond length in F2@C60is substantially longer than in free F2, which is the result of electron‐transfer to the antibonding σumolecular orbital of F2. Interestingly, although there is a full charge‐transfer of one electron between C60and F2, only negligible delocalized covalent interactions are found between F2−and C60+which is a reminiscent of ionic crystals. Therefore, F2−@C60+can be considered as a single‐molecule crystal. The other encapsulated halogens in C60do not show such behavior.
Exploring the “Goldilocks Zone” of Semiconducting Polymer Photocatalysts by Donor–Acceptor Interactions
Authors: Kochergin Yaroslav S. , Schwarz Dana , Acharjya Amitava , Ichangi Arun , Kulkarni Ranjit , Eliášová Pavla , Vacek Jaroslav , Schmidt Johannes , Thomas Arne , Bojdys Michael J.
Published: August 2018

Water splitting using polymer photocatalysts is a key technology to a truly sustainable hydrogen‐based energy economy. Synthetic chemists have intuitively tried to enhance photocatalytic activity by tuning the length of π‐conjugated domains of their semiconducting polymers, but the increasing flexibility and hydrophobicity of ever‐larger organic building blocks leads to adverse effects such as structural collapse and inaccessible catalytic sites. To reach the ideal optical band gap of about 2.3 eV, A library of eight sulfur and nitrogen containing porous polymers (SNPs) with similar geometries but with optical band gaps ranging from 2.07 to 2.60 eV was synthesized using Stille coupling. These polymers combine π‐conjugated electron‐withdrawing triazine (C3N3) and electron donating, sulfur‐containing moieties as covalently bonded donor–acceptor frameworks with permanent porosity. The remarkable optical properties of SNPs enable fluorescence on‐off sensing of volatile organic compounds and illustrate intrinsic charge‐transfer effects.
Desulfinative and denitrogenative palladium‐catalyzed cross‐coupling of arylsulfonyl hydrazides with aryl diazonium salts
Authors: Shang Yonghui
Published: August 2018

Palladium‐catalyzed cross‐coupling of arylsulfonyl hydrazides with aryl diazonium salts to provide biaryl products under relatively mild conditions is established. This reaction proceeded smoothly with tetrabutylammonium iodide and gave the corresponding products with CC bonds formed using PdCl2/bis (dicyclohexylphosphino) methane catalyst under air. This method also allowed easy access to significant functional biaryls for potential applications in medicinal and organic chemistry.
A series of new lanthanide complexes with 2‐bromo‐5‐methoxybenzoic acid and 5,5′‐dimethyl‐2,2′‐bipyridine: Crystal structures, thermal behavior, luminescent and magnetic properties
Authors: Xiao‐Hui Wu , Ning Ren , Jian‐Jun Zhang
Published: August 2018

Four new binuclear lanthanide complexes [Ln(2‐Br‐5‐MOBA)3(5,5′‐DM‐2,2′‐bipy)]2 (Ln = Gd(1), Tb(2), Dy(3), Er(4); 2‐Br‐5‐MOBA = 2‐bromo‐5‐methoxybenzoate; 5,5′‐DM‐2,2′‐bipy = 5,5′‐dimethyl‐2,2′‐bipyridine) have been successfully synthesized and then further characterized by infrared spectra, single‐crystal X‐ray diffraction, elemental analyses and Powder X‐ray diffraction (PXRD). Complexes 1–3 are isostructure with the coordination number of nine, while the complex 4 is eight‐coordinated exhibiting a different structure. Nevertheless, the complexes 1–4 form the same 1D, 2D and 3D supramolecular structures by hydrogen bonding (C‐H···Br and C‐H···O) and π–π stacking interactions. Thermal behavior of complexes 1–4 was studied by TG/DSC‐FTIR techniques. The luminescent spectra of complexes 2 and 3 were investigated at room temperature, which exhibits characteristic luminescence of Tb3+ and Dy3+ ions, respectively. The luminescence decay curve of the complex 2 was measured, which follows double‐exponential decay law. The luminescence lifetime of complex 2 is 0.693 ms. What's more, the magnetic properties of complexes 1–4 have been investigated by measuring the magnetic susceptibility in the temperature range of 2–300 K.
Recovery and Characterization of Enzymatic Protein Hydrolyzates and Fat from Chicken Skin
Authors: Fallah‐Delavar Mostafa , Farmani Jamshid
Published: August 2018

Chicken skin is a valuable source of proteins and fat. In this work, the efficacy of five commercial proteases (Alcalase, Protamex, Pancreatic trypsin, Neutrase, and Flavourzyme) was evaluated in enzymatic recovery of fat and protein hydrolyzates from chicken skin. The highest (49.19%) and lowest (8.92%) degrees of hydrolysis (DH) of protein were obtained using Alcalase and Flavourzyme, respectively. Protein hydrolyzates obtained using Flavourzyme showed the highest water‐holding capacity (WHC), oil‐holding capacity (OHC), and emulsifying activity index (EAI). The highest foaming capacity was observed in the hydrolyzate produced using Alcalase, Protamex, or Trypsin treatments. Hydrolysis using Protamex or Trypsin resulted in the highest fat yield (34.48–35.85%). Fatty‐acid composition, iodine value, unsaponifiable matter, and the amount of iron in chicken‐skin fats were not affected by the enzyme's type. The phosphorus content of chicken‐skin fat was in the range of 5.6–10.8 ppm, the lowest obtained by Flavourzyme. The oxidative stability index of the enzymatically extracted fat was in the range of 0.98–1.51 h at 110 °C. In conclusion, the enzyme type had a significant effect on some physicochemical properties of fat and protein hydrolyzates.
Dynamic measurement of liquid‐phase mass transfer coefficient and significance on the SO2 absorption rate
Authors: Liu Dunyu , Jin Jing , Xiong Zhibo , Stanger Rohan , Wall Terry
Published: August 2018

Liquid‐phase mass transfer coefficient is important for characterization of gas–liquid reactors and relevant to the modelling of gas absorption rate. Both direct and indirect methods have been used to obtain this coefficient. However, these methods have not been compared on the same basis. Liquid‐phase mass transfer coefficients were measured in three ways—(a) CO2 absorption into water, (b) SO2 absorption into 1 kmol m−3 of HCl, and (c) O2 absorption into Na2SO3—and then normalized to the coefficient for SO2. Based on transient experiments, the normalized values for liquid‐phase mass transfer coefficient obtained from three methods are in turn of
. The fluxes of SO2 predicted from three methods were further compared with the experimental values measured in SO2‐NaOH system. The fluxes predicted from
agreed well with the experimental values, whereas those from
and
were significantly lower or higher. Therefore, the liquid‐phase mass transfer coefficient is preferably obtained from the targeted gas. Modelling on the flux of SO2 demonstrates the transition of controlling regions against pH. At pH above 4, the gas side resistance is larger than the liquid side, whereas at pH below 4, the gas side resistance is smaller than the liquid side.
Study on the interactions between SDBS/SOE‐60 mixed surfactant and PVP in solution
Authors: Hu Chang , Du Zhiping , Tai Xiumei , Liu Xiaoying
Published: August 2018

The interactions between the mixed surfactants sodium dodecyl benzenesulfonate (SDBS) and modified oil ethoxylate (SOE‐60) with polyvinylpyrrolidone (PVP) were studied at 25 ± 1 °C using a surface tension meter, Ubbelohde viscometer, and fluorescence spectrophotometer. Interaction mechanisms of SDBS/SOE‐60‐PVP systems were explained by the “necklace and bead” model. The results showed that the interaction could be divided into three parts by two characteristic concentrations: the critical aggregation concentration (cac) and the polymer saturation point (psp). The interaction mechanisms of SDBS/SOE‐60‐PVP systems are consistent with the “necklace and bead” model. The binding mixing surfactant micelles, formed by free SDBS and SOE‐60 molecules, were bound to PVP chains by hydrophobic and ion–dipole interactions. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46717.
The archaeology of world war I tanks in the Ypres Salient (Belgium): A non‐invasive approach
Authors: Stichelbaut Birger , Note Nicolas , Bourgeois Jean , Van Meirvenne Marc , Van Eetvelde Veerle , Van den Berghe Hanne , Gheyle Wouter
Published: August 2018

In the past decade, the research of archaeological remains from World War I has become mainstream. This article uses non‐destructive techniques to investigate the possible material remains of tank warfare in Belgium. During World War I, tanks were used for the first time as a ‘land battleship’ in order to break through the stalemate in the trenches. During the Battle of Messines and the Third Battle of Ypres (1917), tanks were used in Belgium to assist a large‐scale Allied offensive. The offensive was a complete failure and besides the terrible human cost, many of the tanks became derelict in so‐called ‘tank cemeteries’. This article combines historical information, contemporary historical aerial photographs and state‐of‐the‐art geophysical soil sensing to assess the distribution, density and possible material remains of the tank war. Aerial photo‐interpretation and geographic information system (GIS)‐mapping sheds new light on the location of 97 tank wrecks in the Ypres Salient. Two sites were selected for further geophysical research. By using electromagnetic induction, it was possible to identify the remains of five tanks as geophysical anomalies, which corresponds to a debris field spread. In this article, both non‐invasive and non‐destructive techniques will demonstrate the significant potential for investigating cases on a landscape scale without any intense interference of the highly disturbed topsoil.
A photometric study of the nonrelaxed cluster Mayer 3
Authors: Tadross A. L. , Bendary R. , Hasan P.
Published: August 2018

The astrophysical parameters of the open star cluster Mayer 3 were estimated using observations at the Newtonian focus (f/4.84) of the 1.88 m telescope at Kottamia Observatory in Egypt. The V RI observations were carried out down to a limiting magnitude of V ∼ 20 mag. To determine membership and estimate the astrophysical parameters, V RI, near‐infrared Two Micron All Sky Survey (2MASS) and Gaia DR2 data were used. The core and tidal radii, radial density distribution, color‐magnitude diagrams, distance, age, and reddening of Mayer 3 are presented. The luminosity and mass functions, and the total mass of the cluster are estimated. Finally, we conclude that Mayer 3 is not dynamically relaxed as the relaxation time estimated is much larger than the cluster's age.
Photometric and spectral observations of two W UMa stars with periods of one third of a day
Authors: Kjurkchieva D. P. , Marchev D. V. , Popov V. A.
Published: August 2018

Photometric and spectral observations of the W UMa binaries NSVS 254037 and V505 Lac with periods of around 8 hr are presented. The simultaneous light curve and radial velocity curve solutions revealed that their components are of G spectral type. The two targets undergo partial eclipses. They both have overcontact configurations of W subtype with fill‐out factor f ∼ 0.1. The derived parameters of NSVS 254037 are: mass ratio q = 2.42; orbital inclination i = 67.1°; temperatures T1 = 5800 K and T2 = 5585 K; masses M1 = 0.47 M⊙ and M2 = 1.15 M⊙; radii R1 = 0.72 R⊙ and R2 = 1.07 R⊙; luminosities L1 = 0.53 L⊙ and L2 = 1.0 L⊙; equatorial velocities V1 = 89 km−1 and V2 = 146 km−1; and distance d = 175 pc, almost the same as those of GAIA(DR2). The derived parameters of V505 Lac are: mass ratio q = 2.53; orbital inclination i = 57.30; temperatures T1 = 5,600 K and T2 = 5,166 K; masses M1 = 0.38 M⊙ and M2 = 0.97 M⊙; radii R1 = 0.69 R⊙ and R2 = 1.04 R⊙; luminosities L1 = 0.41 L⊙ and L2 = 0.68 L⊙; equatorial velocities V1 = 106 km−1 and V2 = 129 km−1; and distance d = 117 pc, smaller than those of GAIA by 19%. Thus, NSVS 254037 and V505 Lac turned out similar not only in periods and magnitudes but also in mass ratios, radii, and fill‐out factors.
Design and Testing of USEPA'S Flint Pipe Rig for Corrosion Control Evaluation
Authors: Williams Daniel J. , Parrett Christopher J. , Schock Michael R. , Muhlen Christy , Donnelly Peg , Lytle Darren A.
Published: August 2018

The US Environmental Protection Agency's Office of Research and Development designed, fabricated, and installed four pipe rigs in Flint, Mich., to help the city optimize corrosion control. The lead service line (LSL) pipe loops were constructed of polyvinyl chloride pipe and fittings and welded steel channel frames. Each pipe rig consisted of four approximately 4 ft‐long sections of 0.75 in. inside diameter lead pipe that were excavated from homes fed by the Flint distribution system. The rigs were operated on a set daily on/off schedule such that a specified amount of water passed through each pipe using a solenoid valve‐operated timer system. Solenoid problems resulted in sporadic and enhanced daily flow volume (but no flow rate changes) that prevented restabilization of pipe scales. Lead levels were relatively sporadic and statistically different during this period. After the solenoids were replaced, the lead pipe rigs were successfully conditioned, and lead release with consistent influent water chemistry became relatively stable. Average lead levels across all 16 loops ranged between approximately 2 and 5 μg/L after the solenoid replacement. The lead results were consistent with levels measured from LSLs from homes in the city during sequential sampling efforts.
Synthesis of Silver Hollandite Nanorectangular Cuboids as Negative Electrode Material for High‐Performance Asymmetric Supercapacitors and Lithium‐Ion Capacitors
Authors: Nagamuthu Sadayappan , Ryu Kwang‐Sun
Published: August 2018

Silver hollandite nanorectangular cuboids were synthesized via a hydrothermal route. The structural and valance state of the prepared samples were characterized by X‐ray diffraction and X‐ray photoelectron spectroscopy. These studies confirmed the formation of tetragonal and silver hollandite crystal structures. Surface morphological studies reveal the nanorectangular cuboid structure. Silver hollandite was used as the negative electrode for an aqueous asymmetric supercapacitor device. Three electrode measurements revealed a maximum specific capacitance of 605 F g−1 at a specific current of 2 A g−1. The asymmetric device yielded a high specific cell capacitance of 157 F g−1 at a current of 1 A g−1 and a maximum energy density of 70.65 W h kg−1 at a power density of 902 W kg−1. The silver hollandite working electrode was analysed in a Li‐ion capacitor half‐ and full‐cell. The lithium‐ion capacitor full‐cell exhibited a specific cell capacitance of 64 F g−1 and a maximum energy density of 142 W h kg−1 at a power density of 4031.4 W kg−1. The asymmetric supercapacitor and Li‐ion capacitor full‐cell demonstrated higher energy density than lead‐acid batteries and a comparable energy density to metal hydride batteries.
Violet‐blue emission property of the cerium‐ion doped CaHfO3: Doping and temperature dependence
Authors: Lee Seungmin , Lim Junhwi , Lee Y. S.
Published: August 2018

We investigated the emission property of perovskite CaHfO3 polycrystals with various concentrations of cerium ion (Ce3+). With a wide range of UV photoexcitation, we observed a strong emission near 430 nm which should originate from 5d‐4f transitions in the Ce3+ ions. Combining these emission spectra with the photoluminescence excitation spectra, we estimated the Stokes shift to be 6700 cm−1, irrespective of the Ce3+ ion doping concentration. We found that the violet‐blue emissions in Ce3+ ions showed non‐trivial temperature dependence in their peak position and intensity. We found interesting low‐temperature behavior of the violet‐blue emission, which might be attributed to the thermal lattice effect in CaHfO3. We also discussed our results with those of the similar materials, perovskite zirconates. Our systematic studies provide useful information on the host material CaHfO3 for a future study on the violet‐blue emission of Ce3+ ions.
Analysis of Interactions between Telomeric i‐Motif DNA and a Cyclic Tetraoxazole Compound
Authors: Sedghi Masoud Shadi , Yamaoki Yudai , Ma Yue , Marchand Adrien , Winnerdy Fernaldo Richtia , Gabelica Valérie , Phan Anh Tuân , Katahira Masato , Nagasawa Kazuo
Published: August 2018

The interaction of a macrocyclic tetraoxazole compound, L2H2‐4OTD (1), with two aminoalkyl side chains and telomeric i‐motif, was investigated by means of electrophoretic mobility shift assay, circular dichroism spectroscopy, mass spectrometry and NMR spectroscopy analyses. The results indicate that 1 interacts with the i‐motif structure at two preferred binding sites.
2018 ACC/HRS/NASCI/SCAI/SCCT Expert Consensus Document on Optimal Use of Ionizing Radiation in Cardiovascular Imaging—Best Practices for Safety and Effectiveness, Part 2: Radiological Equipment Operation, Dose‐Sparing Methodologies, Patient and Medical Personnel Protection
Authors:   Writing Committee Members, Hirshfeld John W. , Ferrari Victor A. , Bengel Frank M. , Bergersen Lisa , Chambers Charles E. , Einstein Andrew J. , Eisenberg Mark J. , Fogel Mark A. , Gerber Thomas C. , Haines David E. , Laskey Warren K. , Limacher Marian C. , Nichols Kenneth J. , Pryma Daniel A. , Raff Gilbert L. , Rubin Geoffrey D. , Smith Donnette , Stillman Arthur E. , Thomas Suma A. , Tsai Thomas T. , Wagner Louis K. , Samuel Wann L. ,   ACC Task Force On Expert Consensus Decision Pathways, Januzzi James L. , Afonso Luis C. , Everett Brendan , Hernandez Adrian F. , Hucker William , Jneid Hani , Kumbhani Dharam , Edward Marine Joseph , Morris Pamela Bowe , Piana Robert N. , Watson Karol E. , Wiggins Barbara S.
Published: August 2018

The stimulus to create this document was the recognition that ionizing radiation‐guided cardiovascular procedures are being performed with increasing frequency, leading to greater patient radiation exposure and, potentially, to greater exposure to clinical personnel. While the clinical benefit of these procedures is substantial, there is concern about the implications of medical radiation exposure. ACC leadership concluded that it is important to provide practitioners with an educational resource that assembles and interprets the current radiation knowledge base relevant to cardiovascular procedures. By applying this knowledge base, cardiovascular practitioners will be able to select procedures optimally, and minimize radiation exposure to patients and to clinical personnel.

“Optimal Use of Ionizing Radiation in Cardiovascular Imaging ‐ Best Practices for Safety and Effectiveness” is a comprehensive overview of ionizing radiation use in cardiovascular procedures and is published online. To provide the most value to our members, we divided the print version of this document into 2 focused parts. “Part I: Radiation Physics and Radiation Biology” addresses radiation physics, dosimetry and detrimental biologic effects. “Part II: Radiologic Equipment Operation, Dose‐Sparing Methodologies, Patient and Medical Personnel Protection” covers the basics of operation and radiation delivery for the 3 cardiovascular imaging modalities (x‐ray fluoroscopy, x‐ray computed tomography, and nuclear scintigraphy). For each modality, it includes the determinants of radiation exposure and techniques to minimize exposure to both patients and to medical personnel.
Triiodide Organic Salts: Photoelectrochemistry at the Border between Insulators and Semiconductors
Authors: Wlaźlak Ewelina , Kalinowska‐Tłuścik Justyna , Nitek Wojciech , Klejna Sylwia , Mech Krzysztof , Macyk Wojciech , Szaciłowski Konrad
Published: August 2018

The intriguing properties of triiodide organic salts ([(C6H5)3AsO]2H+I3−, (C6H5CH2)3NH+I3− ⋅C6H5CH3, and [(C6H5CH2)3NO]2H+I3−) have been analyzed in detail using experimental and theoretical techniques. The analysis of crystal structures, density of states distribution and photocurrent generation of this purely ionic materials indicates insulating character of the ground state, whereas semiconducting character in higher excited states is observed. These peculiar properties of the studied compounds are the consequence of a specific electronic structure: very flat dispersion diagrams of the valence and conduction band and highly dispersive character on the higher conduction band. Weak triiodide‐triiodide interactions play the key role in the visible absorption range of these salts, while the charge transfer involving high energy carbon‐centered states is responsible for photocurrent generation. The complexity of the electrochemical reactions and the interactions of the I3− anion with light, solubility in organic solvents and the simplicity of preparation make these materials interesting candidates for application in unconventional optoelectronic devices.
Influence of Gd Doping on the Structure and Electrocatalytic Performance of TiO2 Nanotube/SnO2−Sb Nano‐coated Electrode
Authors: Yang Lisha , Zhang Zhaohan , Liu Junfeng , Huang Linlin , Jia Liu , Feng Yujie
Published: August 2018

Gd‐doped TiO2−NT/SnO2−Sb (NT=nanotube) electrodes were prepared by using a solvothermal synthesis approach with a nano‐sized catalyst coating. Phenol degradation and total organic carbon (TOC) removal followed pseudo‐first‐order kinetics in the experimental range. A maximum rate was achieved by using a Gd doping ratio of 2 % (molar ratio based on Gd/Sn), which was 56.5 % and 68 % higher than that of the control (Gd/0 %) for phenol degradation and TOC removal. The results from the UV scan of the electrolyte showed that introducing an appropriate amount of Gd could promote the electrochemical incineration process, and thus effectively degrade the chemical intermediates during phenol oxidation. In addition, the Gd/2 %‐doped electrode had the longest accelerated life time of 25 h, which was 25 % higher than that of the control. A suitable Gd doping ratio could diminish the SnO2 crystal size and increase the specific surface area, speeding up the electrode's reaction rate, thus promoting the oxygen evolution potential. A regular and compact morphology with a smallest particle size of 9.5 nm was obtained on the Gd/2 %‐doped electrode, which prompted a smaller charge‐transfer resistance and higher electrical double‐layer capacitance than that of the control. The results from X‐ray photoelectron spectroscopy and electron paramagnetic resonance suggested that a maximal of surface active sites (i. e. oxygen vacancy) was formed on the Gd/2 %‐doped electrode, which provided abundant positive charge for adsorbing more oxygen species (37.5 %) than the control (21.5 %), and greatly enhanced the formation of ·OH to attack the targeted pollutant.
Beyond Biological Chelation: Coordination of f‐Block Elements by Polyhydroxamate Ligands
Authors: Sockwell A. Kirstin , Wetzler Modi
Published: August 2018

The promise of polyhydroxamic acid ligands for the selective chelation of the f‐block elements is becoming increasingly more apparent. The initial studies of polyhydroxamic acid siderophores showed the formation of highly stable complexes with PuIV, but a higher preference for FeIIIhindered effective applications. The development of synthetic routes toward highly pure and customizable ligands containing multiple hydroxamic acids allowed for the growth of new classes of compounds. Although the first round of these ligands focused on the incorporation of siderophore‐like frameworks, the new synthetic strategies led to small molecules of various frameworks and even resins for applications in the field of f‐block element separations and biological desorption. Unfortunately, a lack of consistent stability‐constant data makes direct comparisons across this body of work difficult. More studies into the stability constants and separations of the f‐block elements in a variety of pH ranges is necessary to truly realize the potential for polyhydroxamic acid ligands.
Redox Potential‐Dependent Formation of an Unusual His–Trp Bond in Bilirubin Oxidase
Authors: Akter Mahfuza , Tokiwa Takaki , Shoji Mitsuo , Nishikawa Koji , Shigeta Yasuteru , Sakurai Takeshi , Higuchi Yoshiki , Kataoka Kunishige , Shibata Naoki
Published: August 2018

Bilirubin oxidase (BOD) belongs to the family of blue multicopper oxidases, and catalyzes the concomitant oxidation of bilirubin to biliverdin and the reduction of molecular oxygen to water via a four‐electron reduction system. The active sites of BOD comprise four copper atoms; type I copper (T1Cu) forms a mononuclear site, and a cluster of three copper atoms forms a trinuclear center. In the present study, we determined the high‐resolution crystal structures of BOD from the fungus Myrothecium verrucaria. We investigated wild‐type (WT) BOD and a BOD mutant called Met467Gln, which is inactive against bilirubin. The structures revealed that a novel post‐translational crosslink between Trp396 and His398 is formed in the vicinity of the T1Cu site in WT BOD, whereas it is absent in the Met467Gln mutant. Our structural and computational studies suggest that the His–Trp crosslink adjusts the redox potential of T1Cu to that of bilirubin to efficiently abstract electrons from the substrate.
RhI‐Catalyzed Carbonylative [3+1] Construction of Cyclobutenones via C−C σ‐Bond Activation of Cyclopropenes
Authors: Xu Wen‐Bin , Li Changkun , Wang Jianbo
Published: August 2018

With a catalytic amount of Rh(cod)2BF4 and dppm, cyclopropenes undergo a direct carbonylative [3+1] cycloaddition reaction under an atmosphere of CO to produce the cyclobutenones in excellent yields, in which the regio‐ and diastereoselectivities can be controlled in certain cases with the help of chelating groups. Cyclobutenone with a chiral 4‐position was prepared by diastereoselective induction. Rhodacyclopentenone has been determined as the key intermediate, as it was synthesized and applied to the reductive elimination step.
The Lewis‐Base‐Stabilized Diphenyl‐Substituted Arsanylborane: A Versatile Building Block for Arsanylborane Oligomers
Authors: Hegen Oliver , Virovets Alexander V. , Timoshkin Alexey Y. , Scheer Manfred
Published: August 2018

The synthesis and properties of the diphenyl‐substituted arsanylborane Ph2AsBH2SMe2 (1) and Ph2AsBH2NMe3 (2) stabilized by a Lewis base (LB) were reported. These compounds were obtained by reaction of KAsPh2 with IBH2−LB (LB=SMe2, NMe3). Compounds 1 and 2 were used as starting materials for oligomeric/ polymeric arsinoboranes. The neutral species, H3B−Ph2AsBH2NMe3 (3) and Br3B−Ph2AsBH2NMe3 (4), were synthesized by reaction with H3B and Br3B, respectively. Upon reaction with IBH2−LB (LB=SMe2, NMe3), the cationic oligomeric group‐13/15‐based compounds [(Me3NBH2AsPh2BH2NMe3)]I (5) and [H2B(Ph2AsBH2NMe3)2]I (6) were obtained. All compounds were completely characterized. In addition, the oxidation of Ph2AsBH2NMe3 with chalcogens was studied. The sulfur Ph2As(S)BH2NMe3 (7 b) and selenium Ph2As(Se)BH2NMe3 (7 c) oxidation products were both isolated and fully characterized, whereas the bis(trimethylsilyl)peroxide oxidated arsinoborane Ph2As(O)BH2NMe3 (7 a) was not stable enough and could only be characterized in solution. DFT computations supported the decomposition pathway of this compound.
Alignment of EphA4 and ephrin‐B2 expression patterns with developing modularity in the lateral cortex of the inferior colliculus
Authors: Gay Sean M. , Brett Cooper A. , Stinson Jeremiah P.C. , Gabriele Mark L.
Published: August 2018

In the multimodal lateral cortex of the inferior colliculus (LCIC), there are two neurochemically and connectionally distinct compartments, termed modular and extramodular zones. Modular fields span LCIC layer 2 and are recipients of somatosensory afferents, while encompassing extramodular domains receive auditory inputs. Recently, in developing mice, we identified several markers (among them glutamic acid decarboxylase, GAD) that consistently label the same modular set, and a reliable extramodular marker, calretinin, (CR). Previous reports from our lab show similar modular–extramodular patterns for certain Eph–ephrin guidance members, although their precise alignment with the developing LCIC neurochemical framework has yet to be addressed. Here we confirm in the nascent LCIC complementary GAD/CR‐positive compartments, and characterize the registry of EphA4 and ephrin‐B2 expression patterns with respect to its emerging modular–extramodular organization. Immunocytochemical approaches in GAD67‐GFP knock‐in mice reveal patchy EphA4 and ephrin‐B2 domains that precisely align with GAD‐positive LCIC modules, and are complementary to CR‐defined extramodular zones. Such patterning was detectable neonatally, yielding discrete compartments prior to hearing onset. A dense plexus of EphA4‐positive fibers filled modules, surrounding labeled ephrin‐B2 and GAD cell populations. The majority of observed GABAergic neurons within modular boundaries were also positive for ephrin‐B2. These results suggest an early compartmentalization of the LCIC that is likely instructed in part through Eph–ephrin guidance mechanisms. The overlap of developing LCIC neurochemical and guidance patterns is discussed in the context of its seemingly segregated multimodal input–output streams.
Pharmacokinetics and Comparative Bioavailability of a Levothyroxine Sodium Oral Solution and Soft Capsule
Authors: Tanguay Mario , Girard Johanne , Scarsi Claudia , Mautone Giuseppe , Larouche Richard
Published: August 2018

A new formulation of levothyroxine sodium has been developed in the form of an oral solution contained in unit‐dose ampules. A study has been conducted to compare the bioavailability of levothyroxine sodium oral solution and levothyroxine sodium soft capsule in healthy volunteers under fasting conditions. The rate and extent of absorption of the new levothyroxine solution were also evaluated when administered on dilution in water or directly into the mouth without water. In each period, according to the randomization scheme, subjects were administered single oral doses of either test, as 4 × 150‐μg unit‐dose ampules, with or without water, or reference, as 4 × 150‐μg capsules in a crossover design. Thirty‐six subjects were randomized and dosed in this study; of these, 31 completed all study periods. When comparing the solution with the capsule (both products administered with water), the 90% confidence intervals for the ratio of log‐transformed values of AUC0‐48 and Cmax were within 90.00% and 111.11%, respectively, for baseline‐corrected levothyroxine. Moreover, the administration of levothyroxine oral solution without water did not affect the rate and extent of its absorption. In conclusion, levothyroxine oral solution unit‐dose ampules were bioequivalent to the levothyroxine capsule when administered with or without water. All formulations were well tolerated, with no major side effects.