bluuebunny/crossref_metadata_2025 huggingface dataset:
Thermal structure of the Kanto region, Japan
Authors: Wada Ikuko , He Jiangheng
Published: July 2017

Using a 3‐D numerical thermal model, we investigate the thermal structure of the Kanto region of Japan where two oceanic plates subduct. In a typical subduction setting with one subducting slab, the motion of the slab drives solid‐state mantle flow in the overlying mantle wedge, bringing in hot mantle from the back‐arc toward the forearc. Beneath Kanto, however, the presence of the subducting Philippine Sea plate between the overlying North American plate and the subducting Pacific plate prevents a typical mantle wedge flow pattern, resulting in a cooler condition. Further, frictional heating and the along‐margin variation in the maximum depth of slab‐mantle decoupling along the Pacific slab surface affect the thermal structure significantly. The model provides quantitative estimates of spatial variations in the temperature condition that are consistent with the observed surface heat flow pattern and distributions of interplate seismicity and arc volcanoes in Kanto.
Advancing atmospheric river forecasts into subseasonal‐to‐seasonal time scales
Authors: Baggett Cory F. , Barnes Elizabeth A. , Maloney Eric D. , Mundhenk Bryan D.
Published: July 2017

Atmospheric rivers are elongated plumes of intense moisture transport that are capable of producing extreme and impactful weather. Along the West Coast of North America, they occasionally cause considerable mayhem—delivering flooding rains during periods of heightened activity and desiccating droughts during periods of reduced activity. The intrinsic chaos of the atmosphere makes the prediction of atmospheric rivers at subseasonal‐to‐seasonal time scales (3 to 5 weeks) an inherently difficult task. We demonstrate here that the potential exists to advance forecast lead times of atmospheric rivers into subseasonal‐to‐seasonal time scales through knowledge of two of the atmosphere's most prominent oscillations, the Madden‐Julian oscillation (MJO) and the quasi‐biennial oscillation (QBO). Strong MJO and QBO activity modulates the frequency at which atmospheric rivers strike—offering an opportunity to improve subseasonal‐to‐seasonal forecast models and thereby skillfully predict atmospheric river activity up to 5 weeks in advance.
Dependence of secondary crater characteristics on downrange distance: High‐resolution morphometry and simulations
Authors: Watters Wesley A. , Hundal Carol B. , Radford Arden , Collins Gareth S. , Tornabene Livio L.
Published: July 2017

On average, secondary impact craters are expected to deepen and become more symmetric as impact velocity (vi) increases with downrange distance (L). We have used high‐resolution topography (1–2 m/pixel) to characterize the morphometry of secondary craters as a function of L for several well‐preserved primary craters on Mars. The secondaries in this study (N = 2644) span a range of diameters (25 m ≤D≤400 m) and estimated impact velocities (0.4 km/s ≤vi≤2 km/s). The range of diameter‐normalized rim‐to‐floor depth (d/D) broadens and reaches a ceiling of d/D≈0.22 at L≈280 km (vi= 1–1.2 km/s), whereas average rim height shows little dependence on vi for the largest craters (h/D≈0.02, D > 60 m). Populations of secondaries that express the following morphometric asymmetries are confined to regions of differing radial extent: planform elongations (L< 110–160 km), taller downrange rims (L < 280 km), and cavities that are deeper uprange (L< 450–500 km). Populations of secondaries with lopsided ejecta were found to extend to at least L ∼ 700 km. Impact hydrocode simulations with iSALE‐2D for strong, intact projectile and target materials predict a ceiling for d/D versus L whose trend is consistent with our measurements. This study illuminates the morphometric transition from subsonic to hypervelocity cratering and describes the initial state of secondary crater populations. This has applications to understanding the chronology of planetary surfaces and the long‐term evolution of small crater populations.
Surface‐Modified Mesh Filter for Direct Nucleic Acid Extraction and its Application to Gene Expression Analysis
Authors: You Jae Bem , Kim Yong Tae , Lee Kyoung G. , Choi Yunho , Choi Seongkyun , Kim Chi Hyun , Kim Kyung Hoon , Chang Sung Jin , Lee Tae Jae , Lee Seok Jae , Im Sung Gap
Published: July 2017

Rapid and convenient isolation of nucleic acids (NAs) from cell lysate plays a key role for onsite gene expression analysis. Here, this study achieves one‐step and efficient capture of NA directly from cell lysate by developing a cationic surface‐modified mesh filter (SMF). By depositing cationic polymer via vapor‐phase deposition process, strong charge interaction is introduced on the surface of the SMF to capture the negatively charged NAs. The NA capturing capability of SMF is confirmed by X‐ray photoelectron spectroscopy, fluorescent microscopy, and zeta potential measurement. In addition, the genomic DNAs of Escherichia Coli O157:H7 can be extracted by the SMF from artificially infected food, and fluorescent signal is observed on the surface of SMF after amplification of target gene. The proposed SMF is able to provide a more simplified, convenient, and fast extraction method and can be applied to the fields of food safety testing, clinical diagnosis, or environmental pollutant monitoring.
Intrinsic 3D Prestressing: A New Route for Increasing Strength and Improving Toughness of Hybrid Inorganic Biocements
Authors: Schamel Martha , Barralet Jake E. , Gelinsky Michael , Groll Jürgen , Gbureck Uwe
Published: July 2017

Cement is the most consumed resource and is the most widely used material globally. The ability to extrinsically prestress cementitious materials with tendons usually made from steel allows the creation of high‐strength bridges and floors from this otherwise brittle material. Here, a dual setting cement system based on the combination of hydraulic cement powder with an aqueous silk fibroin solution that intrinsically generates a 3D prestressing during setting, dramatically toughening the cement to the point it can be cut with scissors, is reported. Changes of both ionic concentration and pH during cement setting are shown to create an interpenetrating silk fibroin inorganic composite with the combined properties of the elastic polymer and the rigid cement. These hybrid cements are self‐densifying and show typical ductile fracture behavior when dry and a high elasticity under wet conditions with mechanical properties (bending and compressive strength) nearly an order of magnitude higher than the fibroin‐free cement reference.
Photostriction of CH3NH3PbBr3 Perovskite Crystals
Authors: Wei Tzu‐Chiao , Wang Hsin‐Ping , Li Ting‐You , Lin Chun‐Ho , Hsieh Ying‐Hui , Chu Ying‐Hao , He Jr‐Hau
Published: July 2017

Organic–inorganic hybrid perovskite materials exhibit a variety of physical properties. Pronounced coupling between phonon, organic cations, and the inorganic framework suggest that these materials exhibit strong light–matter interactions. The photoinduced strain of CH3NH3PbBr3 is investigated using high‐resolution and contactless in situ Raman spectroscopy. Under illumination, the material exhibits large blue shifts in its Raman spectra that indicate significant structural deformations (i.e., photostriction). From these shifts, the photostrictive coefficient of CH3NH3PbBr3 is calculated as 2.08 × 10−8 m2 W−1 at room temperature under visible light illumination. The significant photostriction of CH3NH3PbBr3 is attributed to a combination of the photovoltaic effect and translational symmetry loss of the molecular configuration via strong translation–rotation coupling. Unlike CH3NH3PbI3, it is noted that the photostriction of CH3NH3PbBr3 is extremely stable, demonstrating no signs of optical decay for at least 30 d. These results suggest the potential of CH3NH3PbBr3 for applications in next‐generation optical micro‐electromechanical devices.
Biotransporting Self‐Assembled Nanofactories Using Polymer Vesicles with Molecular Permeability for Enzyme Prodrug Cancer Therapy
Authors: Nishimura Tomoki , Sasaki Yoshihiro , Akiyoshi Kazunari
Published: July 2017

As “biotransporting nanofactories”, in vivo therapeutic biocatalyst nanoreactors would enable encapsulated enzymes to transform inert prodrugs or neutralize toxic compounds at target disease sites. This would offer outstanding potential for next‐generation therapeutic platforms, such as enzyme prodrug therapy. Designing such advanced materials has, however, proven challenging. Here, it is shown that self‐assembled nanofactories formulate with polymeric vesicles with an intrinsically permeable membrane. The vesicles, CAPsomes, are composed of carbohydrate‐b‐poly(propylene glycol) and show molecular‐weight‐depended permeability. This property enables CAPsomes to act as biocatalyst nanoreactors, protecting encapsulated enzymes from degradation while acting on low‐molecular‐weight substrates. In tumor bearing mice, combined treatment with enzyme‐loaded CAPsomes and doxorubicin prodrug inhibit tumor growth in these mice without any observable toxicity. The results demonstrate, for the first time, in vivo therapeutic efficacy of CAPsomes as nanofactories for enzyme prodrug cancer therapy.
Cation Exchange‐Induced Dimensionality Construction: From Monolayered to Multilayered 2D Single Crystal Halide Perovskites
Authors: Yu Dejian , Cai Bo , Cao Fei , Li Xiaoming , Liu Xuhai , Zhu Ying , Ji Jianping , Gu Yu , Zeng Haibo
Published: July 2017

2D structure endows halide perovskites with both excellent optoelectronic properties and remarkable stability. Because halide perovskite such as CsPbBr3 fits a 3D crystallographic structure, engineering toward 2D structure requires trivial and delicate control. Besides, poor crystallinity and small lateral size are usually accompanied. Here, we report a cation exchange‐induced dimensionality construction strategy, based on which high‐quality multilayered 2D perovskite single crystals are constructed with monolayered OA2PbBr4 (OA is in short for octadecylamine). Due to the 2D characteristic of OA2PbBr4 structure, it spontaneously grows into several micrometers laterally at room temperature with high crystallinity, the large size as well as the high crystallinity is then handed down to resulted multilayered 2D cesium lead halide perovskites via a cation exchange strategy. Specifically, intended exchange of OA+ with Cs+ in OA2PbBr4 releases the [PbBr6] sublayers previously sandwiched by OA+ bilayers. Cs+ suits a 3D perovskite structure and therefore assembles the [PbBr6] sublayers to form single crystal multilayered 2D cesium lead halide perovskites. The superior optoelectronic properties of resulted 2D cesium lead halide perovskites are exhibited by planar photodetectors that achieve ultrahigh external quantum yield and responsivity up to 11 050% and 44 A W−1. Besides, extremely short rise/decay time of 7.1/45 µs is also obtained.
Hierarchical Nanostructures: Design for Sustainable Water Splitting
Authors: Fang Ming , Dong Guofa , Wei Renjie , Ho Johnny C.
Published: July 2017

Clean and sustainable hydrogen generation renders a magnificent prospect to fulfill the humans' dream of rebuilding energy supplying systems that work eternally and run without pollution. Water electrolysis driven by a renewable resource of energy, such as wind and solar, is a promising pathway to achieve this goal, which requires highly active and cost‐effective electrode materials to be developed. In this comprehensive review, we introduce the utilization of hierarchical nanostructures in electrocatalytic and photoelectrochemical applications. The unique emphasis is given on the synthetic strategies of attaining these hierarchical structures as well as to demonstrate their corresponding mechanisms for performance improvement. Rather than simply discussing all the methods that can be used in nanofabrication, we focus on extracting the rules for structural design based on highly accessible and reliable methods. Examples are given to illustrate the versatility of these methods in the synthesis and manipulation of hierarchical nanostructures, which are concentrated on nonprecious transition metals or their alloys/compounds. Through this study, we aim to establish valuable guidelines and provide further insights for researchers to facilitate their design of more efficient water splitting systems in the future.
Toward Soft Skin‐Like Wearable and Implantable Energy Devices
Authors: Gong Shu , Cheng Wenlong
Published: July 2017

The development of ultra‐compliant power sources is crucial for their seamless integration with next‐generation skin‐like wearable and implantable biomedical systems for long‐term health monitoring. Toward this goal, stretchable energy storage and conversion devices (ESCDs), including supercapacitors, lithium‐ion batteries (LIBs), solar cells, and generators are now attracting intensive worldwide research efforts. The purpose of this review is to discuss the latest achievements in the development of such stretchable energy devices in the context of biomedical applications. We first review the viable strategies and methodologies of fabricating stretchable energy storage and conversion devices. Then, we focus on description of various types of soft energy devices from a materials point of view. Furthermore, we discuss the challenges and opportunities in the design of truly conformal soft energy systems, including various key parameters, such as energy density, stability, and scalability.
Efficiency Exceeding 11% in Tandem Polymer Solar Cells Employing High Open‐Circuit Voltage Wide‐Bandgap π‐Conjugated Polymers
Authors: Song Seyeong , Kranthiraja Kakaraparthi , Heo Jungwoo , Kim Taehyo , Walker Bright , Jin Sung‐Ho , Kim Jin Young
Published: July 2017

The emerging field of tandem polymer solar cells (TPSCs) enables a feasible approach to deal with the fundamental losses associated with single‐junction polymer solar cells (PSCs) and provides the opportunity to propel their overall performance. Additionally, the rational selection of appropriate subcell photoactive polymers with complementary absorption profiles and optimal thicknesses to achieve balanced photocurrent generation are very important issues which must be addressed in order to realize paramount device performance. Here, two side chain fluorinated wide‐bandgap π‐conjugated polymers P1 (2F) and P2 (4F) in TPSCs have been used. These π‐conjugated polymers have high absorption coefficients and deep highest occupied molecular orbitals which lead to high open‐circuit voltages (Voc) of 0.91 and 1.00 V, respectively. Using these π‐conjugated polymers, TPSCs have been successfully fabricated by combining P1 or P2 as front cells with PTB7‐Th as back cells. The optimized TPSCs deliver outstanding power conversion efficiencies of 11.42 and 10.05%, with high Voc's of 1.64 and 1.72 V, respectively. These results are analyzed by balance of charge mobilities, and optical and electrical modeling is combined to demonstrate simultaneous improvement in all photovoltaic parameters in TPSCs.
Neandertal talus bones from El Sidrón site (Asturias, Spain): A 3D geometric morphometrics analysis
Authors: Rosas Antonio , Ferrando Anabel , Bastir Markus , García‐Tabernero Antonio , Estalrrich Almudena , Huguet Rosa , García‐Martínez Daniel , Pastor Juan Francisco , de la Rasilla Marco
Published: July 2017

Objectives

The El Sidrón tali sample is assessed in an evolutionary framework. We aim to explore the relationship between Neandertal talus morphology and body size/shape. We test the hypothesis 1: talar Neandertal traits are influenced by body size, and the hypothesis 2: shape variables independent of body size correspond to inherited primitive features.

Materials and methods

We quantify 35 landmarks through 3D geometric morphometrics techniques to describe H. neanderthalensis‐H. sapiens shape variation, by Mean Shape Comparisons, Principal Component, Phenetic Clusters, Minimum spanning tree analyses and partial least square and regression of talus shape on body variables. Shape variation correlated to body size is compared to Neandertals‐Modern Humans (MH) evolutionary shape variation. The Neandertal sample is compared to early hominins.

Results

Neandertal talus presents trochlear hypertrophy, a larger equality of trochlear rims, a shorter neck, a more expanded head, curvature and an anterior location of the medial malleolar facet, an expanded and projected lateral malleolar facet and laterally expanded posterior calcaneal facet compared to MH.

Discussion

The Neandertal talocrural joint morphology is influenced by body size. The other Neandertal talus traits do not co‐vary with it or not follow the same co‐variation pattern as MH. Besides, the trochlear hypertrophy, the trochlear rims equality and the short neck could be inherited primitive features; the medial malleolar facet morphology could be an inherited primitive feature or a secondarily primitive trait; and the calcaneal posterior facet would be an autapomorphic feature of the Neandertal lineage.
A Self‐Sacrificing N‐Methyltransferase Is the Precursor of the Fungal Natural Product Omphalotin
Authors: Ramm Sascha , Krawczyk Bartlomiej , Mühlenweg Agnes , Poch Annette , Mösker Eva , Süssmuth Roderich D.
Published: July 2017

Research on ribosomally synthesized and posttranslationally modified peptides (RiPPs) has led to an increasing understanding of biosynthetic mechanisms, mostly drawn from bacterial examples. In contrast, reports on RiPPs from fungal producers, apart from the amanitins and phalloidins, are still scarce. The fungal cyclopeptide omphalotin A carries multiple N‐methylations on the peptide backbone, a modification previously known only from nonribosomal peptides. Mining the genome of the omphalotin‐producing fungus for a precursor peptide led to the identification of two biosynthesis genes, one encoding a methyltransferase OphMA that catalyzes the automethylation of its C‐terminus, which is then released and cyclized by the protease OphP. Our findings suggest a novel biosynthesis mechanism for a RiPP in which a modifying enzyme bears its own precursor peptide.
Copper nanoparticles incorporated on a mesoporous carbon nitride, an excellent catalyst in the Huisgen 1,3‐dipolar cycloaddition and N‐arylation of N‐heterocycles
Authors: Kazemi Movahed Siyavash , Salari Parinaz , Kasmaei Melika , Armaghan Mahsa , Dabiri Minoo , Amini Mostafa M.
Published: July 2017

Cu nanoparticles with average particles size around 10 nm were incorporated on the surface of a mesoporous carbon nitride support. The XRD and N2 adsorption isotherms show that it maintains a hexagonal mesoporous structure with a high surface area (600.03 m2 g−1). The embedded Cu nanoparticles exhibit extremely high catalytic performance in two different kinds of organic reactions. The Huisgen 1,3‐dipolar cycloaddition and N‐arylation of N‐heterocycles were all accomplished.
Early Lapita sites, the colonisation of Tonga and recent data from northern Ha'apai
Authors: SHUTLER RICHARD , BURLEY DAVID V. , DICKINSON WILLIAM R. , NELSON ERLE , CARLSON ARNE K.
Published: July 2017

Recent and earlier archaeological research in the northern Ha'apai island group, Kingdom of Tonga, has documented several sites associated with initial colonization and expansion during the Lapita period. Excavated and other data for these sites are described in a preliminary fashion and placed within the larger context of Lapita archaeology in Tonga. The earliest sites, including Tongoleleka on Li fuka Island, Faleloa on Foa Island and Pukotala on Ha'ano island are radiocarbon dated between 3000 and 2500 years ago. Dentate‐stamped and other decorated ceramics are characteristic of site assemblages. All recorded Lapita period sites in northern Ha'apai occur 200 m or more from the present shoreline and are raised 2 m or more above current sea levels. Original site occupations, however, were superpositioned on sand beaches and it is proposed that sea level decline and substantial accretionary shoreline development has taken place over the past 2500 years. Northern Ha'apai dentate‐stamped ceramics share design elements with other Lapita sites in Tonga and Fiji and the existing conceptual framework for an integrated eastern Lapita province with sustained inter‐island contacts seems secure. Lapita sites in northern Ha'apai further indicate that these islands were settled simultaneously with other areas in Tonga, including Tongatapu and Nivatoputapu. Finally, each of the principal islands in northern Ha'apai is characterised by a single early Lapita settlement without significant growth over the next few centuries. This distribution supports Green's ‘Colonizer Model’ for Lapita expansion in which new groups were continually and intentionally being dispersed to settlement locales on adjacent islands.
The origin of Anadara shell mounds at Weipa, North Queensland, Australia
Authors: BAILEY GEOFF , CHAPPELL JOHN , CRIBB ROGER
Published: July 2017

We examine the criteria for distingishing middens from natural shell accumulations, in the light of the Stone's (1992, 1993) hypothesis that large shell mounds, dominated by the bivalve Anadara, in the Weipa area are scrub fowl nests built from shelly chenier ridge deposits that formed by natural geomorphologic processes. Several previous investigators have considered that the same mounds were humanly made. We present fresh field observations from Anadara mounds, scrubfowl nests and beach‐and chenier‐ridge deposits near Weipa, and show how these differ in terms of stratigraphic, textural and compositional characteristics. This evidence, together with the distribution of Anadara mounds on different substrates ranging from upper intertidal mudflats to lateritic regolith, very strongly indicates that the large shell mounds were not built by scrub fowls from natural coastal deposits, and we conclude that humans were responsible for their accumulation.
Are islands insular? Landscape vs. seascape in the case of the Arawe Islands, Papua New Guinea
Authors: GOSDEN CHRIS , PAVLIDES CHRISTINA
Published: July 2017

The predominant view of Pacific prehistory holds that the Pacific islands were isolated in most periods and that isolation is the key to their development. We question the development‐in‐isolation model and present data from the Arawe Islands, West New Britain to show that, although close to large land masses, the sea has linked these islands into a wider world in the late prehistoric period. We present ethnohistorical data on settlement, subsistence and trade which shows the nature of these links and discuss how far sea links have affected the use of the land. If the way in which land is used is partly determined by the sea, we should think in terms of seascape, as well as landscape, extending the range of the latter term. We argue further that the key feature of all periods of Pacific prehistory is connectivity by sea and that in the process of colonisation, not only were particular sailing strategies employed but also social strategies designed to connect up large regions. This is true both of the area covered by the Lapita distribution and of eastern Polynesia.
Free speech is only ‘free’ if it's truly free for all
Authors: Zacarese Lawrence M.
Published: July 2017

“Congress shall make no law respecting an establishment of religion, or prohibiting the free exercise thereof; or abridging the freedom of speech, or of the press; or the right of the people peaceably to assemble, and to petition the government for a redress of grievances.” This is the text of the First Amendment to the U.S. Constitution taken verbatim, sans any changes or extra language.
Wait weight, is obesity a disability?
Authors: Masinter Michael R.
Published: July 2017

With rising rates of obesity among postsecondary students, students with high body mass indices increasingly ask schools to accommodate their needs by providing classroom, housing, and educational accommodations ranging from special furniture to very large horses in equestrian programs. Although as a matter of course many institutions accommodate these students, their underlying assumption that morbid obesity is a disability within the meaning of Section 504 and the Americans with Disabilities Act appears to be incorrect.
Separation of Highly Resistive Dusts in an Electrostatic Precipitator with Low‐Frequency AC Voltage
Authors: Aleksin Yury , Riebel Ulrich , Kurtsiefer Rolf , Ribbeck Jörg
Published: July 2017

Aufgrund des auftretenden Rücksprühens ist die Abscheidung von Partikeln mit hohem spezifischem elektrischem Widerstand in Elektroabscheidern (EAs) schwierig. Die Stromaufnahme des EAs ist dann deutlich erhöht, und es treten unzulässig hohe Emissionen der Stäube auf. Hier wird ein neuartiger Ansatz zur Abscheidung hochohmiger Stäube mit dem EA beschrieben. Der effektive elektrische Widerstand der Staubschicht kann durch den Einsatz von niederfrequenter Wechselspannung modifiziert werden, wodurch die Abscheidegrade deutlich verbessert werden. Das neue Verfahren wurde mit verschiedenen hochohmigen Stäuben in einem Draht/Rohr‐EA getestet.
Rational Design, Development, and Stability Assessment of a Macrocyclic Four‐Hydroxamate‐Bearing Bifunctional Chelating Agent for 89Zr
Authors: Seibold Uwe , Wängler Björn , Wängler Carmen
Published: July 2017

Zirconium‐89 is a positron‐emitting radionuclide of high interest for medical imaging applications with positron emission tomography (PET). For the introduction of this radiometal into biologically active targeting vectors, the chelating agent desferrioxamine B (DFO) is commonly applied. However, DFO is known to form 89Zr complexes of limited in vivo stability. Herein we describe the rational design and chemical development of a new macrocyclic four‐hydroxamate‐bearing chelating agent—1,10,19,28‐tetrahydroxy‐1,5,10,14,19,23,28,32‐octaazacyclohexatriacontan‐2,6,11,15,20,24,29,33‐octaone (CTH36)—for the stable complexation of Zr4+. For this purpose, we first performed computational studies to determine the optimal chelator geometry before we developed different synthesis pathways toward the target structures. The best results were obtained using an efficient solution‐phase‐based synthesis strategy toward the target chelating agent. To enable efficient and chemoselective conjugation to biomolecules, a tetrazine‐modified variant of CTH36 was also developed. The excellent conjugation characteristics of the so‐functionalized chelator were demonstrated on the example of the model peptide TCO‐c(RGDfK). We determined the optimal 89Zr radiolabeling parameters for CTH36 as well as its bioconjugate, and found that 89Zr radiolabeling proceeds efficiently under very mild reaction conditions. Finally, we performed comparative complex stability tests for 89Zr–CHT36–c(RGDfK) and 89Zr–DFO–c(RGDfK), showing improved complex stability for the newly developed chelator CTH36.
One‐Step Cationic Grafting of 4‐Hydroxy‐TEMPO and its Application in a Hybrid Redox Flow Battery with a Crosslinked PBI Membrane
Authors: Chang Zhenjun , Henkensmeier Dirk , Chen Ruiyong
Published: July 2017

By using a one‐step epoxide ring‐opening reaction between 4‐hydroxy‐2,2,6,6‐tetramethylpiperidine 1‐oxyl (4‐hydroxy‐TEMPO) and glycidyltrimethylammonium cation (GTMA+), we synthesized a cation‐grafted TEMPO (g+‐TEMPO) and studied its electrochemical performance against a Zn2+/Zn anode in a hybrid redox flow battery. To conduct Cl− counter anions, a crosslinked methylated polybenzimidazole (PBI) membrane was prepared and placed between the catholyte and anolyte. Compared to 4‐hydroxy‐TEMPO, the positively charged g+‐ TEMPO exhibits enhanced reaction kinetics. Moreover, flow battery tests with g+‐TEMPO show improved Coulombic, voltage, and energy efficiencies and cycling stability over 140 cycles. Crossover of active species through the membrane was not detected.
β‐Diketiminato–Germylene Complexes of Carbonyl Ruthenium: Synthesis, Structure, and Reactivity
Authors: Nie Peng , Li Yan , Yu Qian , Li Bin , Zhu Hongping , Wen Ting‐Bin
Published: July 2017

The reaction of the β‐diketiminatochlorogermylene L(Cl)Ge {1, L = HC[C(Me)N‐2,6‐iPr2C6H3]2} with Ru3(CO)12 in molar ratios of 3:1 or 6:1 led to the Ge2Ru complex [L(Cl)Ge]2Ru(CO)3 (3). A speculative GeRu intermediate, L(Cl)GeRu(CO)4, was detected when the reaction was monitored by 1H NMR spectroscopy at elevated temperatures. The formation of this intermediate was supported by similar monitoring of the reaction of L(PhC≡C)Ge (2) with Ru3(CO)12 by 1H NMR spectroscopy and the isolation of a mixture of L(PhC≡C)GeRu(CO)4 (4) and [L(R)Ge]2Ru(CO)3 (5) from this reaction in a molar ratio of 3:1 as well as the clean formation of 5 from such a reaction in a 6:1 molar ratio. Complex 3 reacted with LiHBEt3 through an unusual Cl/Et metathesis to give L(Et)GeRu(CO)4 (6). However, the reaction of 3 with LiN(SiMe3)2 resulted in the base‐assisted dehydrochlorination involving one methyl group of each L ligand backbone and the chlorine atom at the Ge center to yield [L′Ge]2Ru(CO)3 {7, L′ = HC[C(Me)N‐2,6‐iPr2C6H3][C(CH2)N‐2,6‐iPr2C6H3]}. The further reaction of 7 with a stoichiometric amount of H2O afforded L(HO)GeRu(CO)4 (8) through a 1,4‐dipolar addition across the L′Ge functionality. In addition, the reaction of 3 with I2 occurred through an oxidative addition at the Ru center to generate L(Cl)GeRuI2(CO)3 (10).
Enhanced Luminescence of Asymmetrical Seven‐Coordinate EuIII Complexes Including LMCT Perturbation
Authors: Yanagisawa Kei , Kitagawa Yuichi , Nakanishi Takayuki , Akama Tomoko , Kobayashi Masato , Seki Tomohiro , Fushimi Koji , Ito Hajime , Taketsugu Tetsuya , Hasegawa Yasuchika
Published: July 2017

Luminescent mononuclear seven‐coordinate EuIII complexes, with monocapped‐octahedral (point group: C3v), monocapped‐trigonal‐prismatic (C2v), and pentagonal‐bipyramidal (D5h) coordination structures, are reported. The complexes each consist of a EuIII ion, three tetramethylheptanedionates, and a phosphine oxide derivative. Controlling steric hindrance by means of introducing methyl groups into the phosphine oxide ligands resulted in the formation of three types of coordination polyhedral structures. The coordination geometrical structures of the EuIII complexes were evaluated by single‐crystal X‐ray diffraction analysis and shape‐factor calculations. The radiative rate constant of the EuIII complex with a monocapped‐octahedral structure was larger than those with monocapped‐trigonal‐prismatic and pentagonal‐bipyramidal structures. Characteristic photophysical properties of the seven‐coordinate EuIII complexes are discussed with TD‐DFT calculations and Arrhenius analysis of the ligand‐to‐metal charge transfer.
Generation of Cryptophanes in Water by Disulfide Bridge Formation
Authors: Brégier Frédérique , Hudeček Oldřích , Chaux Fanny , Penouilh Marie‐José , Chambron Jean‐Claude , Lhoták Pavel , Aubert Emmanuel , Espinosa Enrique
Published: July 2017

Cryptophanes are receptors consisting of two bridging concave cyclotribenzylene (CTB) subunits. The formation of cryptophanes in basic aqueous solutions (0.1 m MOD; M = Li, Na, K, and Cs) by disulfide bridge formation has been investigated. Two original CTBs, 1H6 and 2H6, derived from cyclotriphenolene through the introduction of mercaptomethyl and mercapto substituents, respectively, were synthesized. Cryptophane formation by slow oxygenation of 16– was observed only in the presence of Me4N+ as template, which yielded the diastereomeric forms in a ratio of around 82:18. By contrast, the rigid CTB 2H6 yielded a cryptophane stereoselectively without a template. Interestingly, air oxidation of a 1:1 mixture of 16– and 26– in the presence of Me4N+ (0.5–1 equiv./16–) in 0.1 m LiOD led to the exclusive formation of the cryptophane complex [(1·1)6–⊃+NMe4], (2·2)6– being formed only in very minor amounts. No mixed species were detected in the reaction mixtures. The stabilities of the diastereomers of the protonated cryptophanes were calculated in the gas phase by DFT at the ωB97XD 6‐311G(d,p) level of theory.
Assessment of the DNA damaging potential of environmental chemicals using a quantitative high‐throughput screening approach to measure p53 activation
Authors: Witt Kristine L. , Hsieh Jui‐Hua , Smith‐Roe Stephanie L. , Xia Menghang , Huang Ruili , Zhao Jinghua , Auerbach Scott S. , Hur Junguk , Tice Raymond R.
Published: July 2017

Genotoxicity potential is a critical component of any comprehensive toxicological profile. Compounds that induce DNA or chromosomal damage often activate p53, a transcription factor essential to cell cycle regulation. Thus, within the US Tox21 Program, we screened a library of ∼10,000 (∼8,300 unique) environmental compounds and drugs for activation of the p53‐signaling pathway using a quantitative high‐throughput screening assay employing HCT‐116 cells (p53+/+) containing a stably integrated β‐lactamase reporter gene under control of the p53 response element (p53RE). Cells were exposed (‐S9) for 16 hr at 15 concentrations (generally 1.2 nM to 92 μM) three times, independently. Excluding compounds that failed analytical chemistry analysis or were suspected of inducing assay interference, 365 (4.7%) of 7,849 unique compounds were concluded to activate p53. As part of an in‐depth characterization of our results, we first compared them with results from traditional in vitro genotoxicity assays (bacterial mutation, chromosomal aberration); ∼15% of known, direct‐acting genotoxicants in our library activated the p53RE. Mining the Comparative Toxicogenomics Database revealed that these p53 actives were significantly associated with increased expression of p53 downstream genes involved in DNA damage responses. Furthermore, 53 chemical substructures associated with genotoxicity were enriched in certain classes of p53 actives, for example, anthracyclines (antineoplastics) and vinca alkaloids (tubulin disruptors). Interestingly, the tubulin disruptors manifested unusual nonmonotonic concentration response curves suggesting activity through a unique p53 regulatory mechanism. Through the analysis of our results, we aim to define a role for this assay as one component of a comprehensive toxicological characterization of large compound libraries. Environ. Mol. Mutagen. 58:494–507, 2017. © 2017 Wiley Periodicals, Inc.
Effects of different ozonized slurry‐ice treatments and superchilling storage (−1°C) on microbial spoilage of two important pelagic fish species
Authors: Bono Gioacchino , Okpala Charles Odilichukwu R. , Vitale Sergio , Ferrantelli Vincenzo , Noto Annamaria Di , Costa Antonella , Di Bella Calogero , Monaco Daniela Lo
Published: July 2017

Combining different preservative treatments for improving quality and safety of fishery products increasingly receives global research attention. Consistent with this pursuit, the current research was undertaken to determine the effects of different ozonized slurry‐ice treatments and superchilling (−1°C) storage on microbial spoilage of European anchovy (Eugraulis encrasicolus) and sardine (Sardina pilchardus), which are two commercially important pelagic fish species. After the catch (within <5 hr) and at defined scheduled storage times, ozone has been discharged once on sardine (herein referred to as “One‐T”) and repeatedly/sequentially on European anchovy (herein referred to as “Seq‐T”). Microbiological analyses enumerated total viable count (TVC), Bacillus spp., Enterobacteriaceae, Lactobacillus spp., Moraxella spp., Shewanella spp., Listeria monocytogenes and Pseudomonas spp. Independent of potential antimicrobial effects of ozone during superchilling storage, no Listeria spp., Shewanella spp., Moraxella spp., and Bacillus spp. were found in all processed samples. While Enterobacteriaceae and Lactobacillus spp. were detected at below 1 log cfu/g, both TVC and Pseudomonas spp. proliferated at different rates throughout superchilling storage. The repeated ozone‐treated (“Seq‐T”) showed lower TVC and Pseudomonas spp. values compared with one‐time treated (“One‐T”) slurry‐iced and control samples. Thus, combined slurry‐ice and superchilling storage at Seq‐T produced improved antimicrobial activity over One‐T application. Largely, ozonized slurry‐ice outcomes/results appear promising thanks to superchilling storage.
Impact of an electronic health record alert in primary care on increasing hepatitis c screening and curative treatment for baby boomers
Authors: Konerman Monica A. , Thomson Mary , Gray Kristen , Moore Meghan , Choxi Hetal , Seif Elizabeth , Lok Anna S.F.
Published: July 2017

Despite effective treatment for chronic hepatitis C, deficiencies in diagnosis and access to care preclude disease elimination. Screening of baby boomers remains low. The aims of this study were to assess the impact of an electronic health record–based prompt on hepatitis C virus (HCV) screening rates in baby boomers in primary care and access to specialty care and treatment among those newly diagnosed. We implemented an electronic health record–based “best practice advisory” (BPA) that prompted primary care providers to perform HCV screening for patients seen in primary care clinic (1) born between 1945 and 1965, (2) who lacked a prior diagnosis of HCV infection, and (3) who lacked prior documented anti‐HCV testing. The BPA had associated educational materials, order set, and streamlined access to specialty care for newly diagnosed patients. Pre‐BPA and post‐BPA screening rates were compared, and care of newly diagnosed patients was analyzed. In the 3 years prior to BPA implementation, 52,660 baby boomers were seen in primary care clinics and 28% were screened. HCV screening increased from 7.6% for patients with a primary care provider visit in the 6 months prior to BPA to 72% over the 1 year post‐BPA. Of 53 newly diagnosed patients, all were referred for specialty care, 11 had advanced fibrosis or cirrhosis, 20 started treatment, and 9 achieved sustained virologic response thus far. Conclusion: Implementation of an electronic health record–based prompt increased HCV screening rates among baby boomers in primary care by 5‐fold due to efficiency in determining needs for HCV screening and workflow design. Streamlined access to specialty care enabled patients with previously undiagnosed advanced disease to be cured. This intervention can be easily integrated into electronic health record systems to increase HCV diagnosis and linkage to care. (Hepatology 2017;66:1805–1813)
Efficacy and safety of new direct antiviral agents in hepatitis C virus–infected patients with diffuse large B‐cell non‐Hodgkin's lymphoma
Authors: Persico Marcello , Aglitti Andrea , Caruso Rosa , De Renzo Amalia , Selleri Carmine , Califano Catello , Abenavoli Ludovico , Federico Alessandro , Masarone Mario
Published: July 2017

The association of hepatitis C virus (HCV) with non‐Hodgkin's lymphoma (NHL) has been demonstrated throughout the world. The new interferon‐free direct antiviral agents (DAAs) showed high efficacy and safety, and preliminary data seem to confirm their activity on low‐grade NHL. The question arises as whether or not—and how—to treat the HCV‐positive patients suffering from diffuse large B‐cell lymphomas (DLBCLs). The aim of this observational study was to evaluate whether DAA antiviral treatment of DLBCL/HCV‐infected patients in concomitance with chemotherapy is a safe and effective option. Twenty (13 males and 7 females) HCV genotype 1b‐positive subjects, undergoing chemotherapy for DLBCL, were enrolled between June 2015 and December 2015. After informed consent, all patients underwent antiviral therapy (AVT) with sofosbuvir/ledipasvir and chemotherapy (14 rituximab plus cyclophosphamide, doxorubicin, vincristine, and prednisone and 6 cyclophosphamide, doxorubicin, vincristine, and prednisone) for DLBCL. Complete hematological (Revised European‐American Lymphoma classification, Ann Arbor, and International Prognostic Index [IPI] scores) and hepatological (viral markers, liver stiffness, and biochemical parameters) evaluations were made. A historical retrospective cohort of 101 DLBCL/HCV‐positive patients not undergoing AVT was enrolled for comparison. DAA‐treated and untreated patients were similar for sex distribution, IPI score, and NHL stage, and differed for age (older in treated), chemotherapy and use of AVT. Overall survival (OS) and disease‐free survival (DFS) were evaluated among a 52‐week of follow‐up. No statistical difference was found in OS after 52 weeks (P = 0.122), whereas a statistically significant higher DFS was achieved in treated patients (P = 0.036). At the multivariate analysis, only IPI score and AVT were independently correlated with a better DFS. No differences in adverse events were reported. Conclusion: DAA treatment in concomitance with chemotherapy was shown to be safe and effective in influencing remission of aggressive lymphomas in HCV patients. (Hepatology 2018;67:48‐55).
β‐Catenin regulation of farnesoid X receptor signaling and bile acid metabolism during murine cholestasis
Authors: Thompson Michael D. , Moghe Akshata , Cornuet Pamela , Marino Rebecca , Tian Jianmin , Wang Pengcheng , Ma Xiaochao , Abrams Marc , Locker Joseph , Monga Satdarshan P. , Nejak‐Bowen Kari
Published: July 2017

Cholestatic liver diseases result from impaired bile flow and are characterized by inflammation, atypical ductular proliferation, and fibrosis. The Wnt/β‐catenin pathway plays a role in bile duct development, yet its role in cholestatic injury remains indeterminate. Liver‐specific β‐catenin knockout mice and wild‐type littermates were subjected to cholestatic injury through bile duct ligation or short‐term exposure to 3,5‐diethoxycarbonyl‐1,4‐dihydrocollidine diet. Intriguingly, knockout mice exhibit a dramatic protection from liver injury, fibrosis, and atypical ductular proliferation, which coincides with significantly decreased total hepatic bile acids (BAs). This led to the discovery of a role for β‐catenin in regulating BA synthesis and transport through regulation of farnesoid X receptor (FXR) activation. We show that β‐catenin functions as both an inhibitor of nuclear translocation and a nuclear corepressor through formation of a physical complex with FXR. Loss of β‐catenin expedited FXR nuclear localization and FXR/retinoic X receptor alpha association, culminating in small heterodimer protein promoter occupancy and activation in response to BA or FXR agonist. Conversely, accumulation of β‐catenin sequesters FXR, thus inhibiting its activation. Finally, exogenous suppression of β‐catenin expression during cholestatic injury reduces β‐catenin/FXR complex activation of FXR to decrease total BA and alleviate hepatic injury. Conclusion: We have identified an FXR/β‐catenin interaction whose modulation through β‐catenin suppression promotes FXR activation and decreases hepatic BAs, which may provide unique therapeutic opportunities in cholestatic liver diseases. (Hepatology 2018;67:955–971)
Chemical imaging of fresh vascular smooth muscle cell response by epi‐detected stimulated Raman scattering
Authors: Zhang Delong , Chen Wei , Chen Huan , Yu Han‐Qing , Kassab Ghassan , Cheng Ji‐Xin
Published: July 2017

An understanding of deformation of cardiovascular tissue under hemodynamic load is crucial for understanding the health and disease of blood vessels. In the present work, an epi‐detected stimulated Raman scattering (epi‐SRS) imaging platform was designed for in situ functional imaging of vascular smooth muscle cells (VMSCs) in fresh coronary arteries. For the first time, the pressure‐induced morphological deformation of fresh VSMCs was imaged with no fixation and in a label‐free manner. The relation between the loading pressure and the morphological parameters, including angle and length of the VSMCs, were apparent. The morphological responses of VMSCs to drug treatment were also explored, to demonstrate the capability of functional imaging for VSMCs by this method. The time‐course imaging revealed the drug induced change in angle and length of VSMCs. The present study provides a better understanding of the biomechanical framework of blood vessels, as well as their responses to external stimulations, which are fundamental for developing new strategies for cardiovascular disease treatment.
Learning‐based automated segmentation of the carotid artery vessel wall in dual‐sequence MRI using subdivision surface fitting
Authors: Gao Shan , van ‘t Klooster Ronald , Kitslaar Pieter H. , Coolen Bram F. , van den Berg Alexandra M. , Smits Loek P. , Shahzad Rahil , Shamonin Denis P. , de Koning Patrick J.H. , Nederveen Aart J. , van der Geest Rob J.
Published: July 2017

Purpose

The quantification of vessel wall morphology and plaque burden requires vessel segmentation, which is generally performed by manual delineations. The purpose of our work is to develop and evaluate a new 3D model‐based approach for carotid artery wall segmentation from dual‐sequence MRI.

Methods

The proposed method segments the lumen and outer wall surfaces including the bifurcation region by fitting a subdivision surface constructed hierarchical‐tree model to the image data. In particular, a hybrid segmentation which combines deformable model fitting with boundary classification was applied to extract the lumen surface. The 3D model ensures the correct shape and topology of the carotid artery, while the boundary classification uses combined image information of 3D TOF‐MRA and 3D BB‐MRI to promote accurate delineation of the lumen boundaries. The proposed algorithm was validated on 25 subjects (48 arteries) including both healthy volunteers and atherosclerotic patients with 30% to 70% carotid stenosis.

Results

For both lumen and outer wall border detection, our result shows good agreement between manually and automatically determined contours, with contour‐to‐contour distance less than 1 pixel as well as Dice overlap greater than 0.87 at all different carotid artery sections.

Conclusions

The presented 3D segmentation technique has demonstrated the capability of providing vessel wall delineation for 3D carotid MRI data with high accuracy and limited user interaction. This brings benefits to large‐scale patient studies for assessing the effect of pharmacological treatment of atherosclerosis by reducing image analysis time and bias between human observers.
Reliable quantification of marrow fat content and unsaturation level using in vivo MR spectroscopy
Authors: Xu Kaipin , Sigurdsson Sigurdur , Gudnason Vilmundur , Hue Trisha , Schwartz Ann , Li Xiaojuan
Published: July 2017

Purpose

To develop a novel technique for reliable quantification of bone marrow fat content and composition using in vivo MR spectroscopy (MRS).

Methods

An MRS quantification method combining both advantages of Voigt line shape model and time‐domain analysis was developed. The proposed method was tested using computer‐simulated data and in vivo data acquired at lumbar vertebral bodies of 23 subjects (age, 83.8 ± 3.7 y; male, n = 13; female, n = 10) from L1 to L4. Reliability and reproducibility were calculated for the quantification results. Comparisons between the proposed method and some conventional methods were conducted.

Results

Low mean absolute percentage errors and low mean coefficients of variation for computer simulations suggest that the proposed method is accurate and precise. By using this method, marrow fat content can be quantified reliably, even for data with low spectral resolution and low signal‐to‐noise ratio (SNR). Unsaturation level can be reliably quantified for data with moderate spectral resolution and moderate SNR. Results obtained from in vivo data using the proposed method demonstrated better model fit than conventional methods.

Conclusion

The method proposed in this study has better performance than conventional methods in the quantification of bone marrow MRS data and has great potential for wide applications of studying marrow fat content and composition. Magn Reson Med 79:1722–1729, 2018. © 2017 International Society for Magnetic Resonance in Medicine.