bluuebunny/crossref_metadata_2025 huggingface dataset:
Accelerated increase in the Arctic tropospheric warming events surpassing stratospheric warming events during winter
Authors: Wang S.‐Y. Simon , Lin Yen‐Heng , Lee Ming‐Ying , Yoon Jin‐Ho , Meyer Jonathan D. D. , Rasch Philip J.
Published: March 2017

In January 2016, a robust reversal of the Arctic Oscillation took place associated with a rapid tropospheric warming in the Arctic region; this was followed by the occurrence of a classic sudden stratospheric warming in March. The succession of these two distinct Arctic warming events provides a stimulating opportunity to examine their characteristics in terms of similarities and differences. Historical cases of these two types of Arctic warming were identified and validated based upon tropical linkages with the Madden‐Julian Oscillation and El Niño as documented in previous studies. The analysis indicates a recent and seemingly accelerated increase in the tropospheric warming type versus a flat trend in stratospheric warming type. The shorter duration and more rapid transition of tropospheric warming events may connect to the documented increase in midlatitude weather extremes, more so than the route of stratospheric warming type. Forced simulations with an atmospheric general circulation model suggest that the reduced Arctic sea ice contributes to the observed increase in the tropospheric warming events and associated remarkable strengthening of the cold Siberian high manifest in 2016.
Still weighting to break the model democracy
Authors: Collins Matthew
Published: March 2017

Ensembles of climate model simulations are employed to project how climate might change in the future. How do these ensemble projections relate to what will happen to the real‐world climate?
Iodine [MAK Value Documentation, 2006]
Authors: Hartwig A. ,   MAK Commission
Published: March 2017

The article contains sections titled:

Toxic Effects and Mode of Action

Mechanism of Action

Toxicokinetics and Metabolism

Absorption, distribution, elimination

Metabolism

Effects in Humans

Single exposures

Repeated exposure

Local effects on skin and mucous membranes

Allergenic effects

Reproductive and developmental toxicity

Genotoxicity

Carcinogenicity

Animal Experiments and in vitro Studies

Acute toxicity

Subacute, subchronic and chronic toxicity

Local effects on skin and mucous membranes

Allergenic effects

Reproductive and developmental toxicity

Genotoxicity

Carcinogenicity

Manifesto (MAK value/classification)
In Situ Generated Gold Nanoparticle Hybrid Polymersomes for Water‐Soluble Chemotherapeutics: Inhibited Leakage and pH‐Responsive Intracellular Release
Authors: Fu Jun , Liang Lina , Qiu Liyan
Published: March 2017

Drug leakage in blood circulation is generally a serious concern to polymersomes when loading water‐soluble chemotherapeutics. If packing density of polymersome membrane is strengthened, premature drug release will be inhibited. Therefore, synthesis of a series of amphiphilic polyphosphazenes (PNPs) with 2‐diethylaminoethyl 4‐aminobenzoate (DEAB) as hydrophobic side groups and amino‐terminal poly(ethylene glycol) (NH2‐PEG2000) as hydrophilic chains is presented. By controlling the ratio of DEAB to NH2‐PEG2000, the optimal PNP‐3 is screened to ensure polymersome formation and high loading of doxorubicin hydrochloride (DOX·HCl). In situ generation method is initially employed to introduce gold nanoparticles (AuNPs) into vesicles' lamella, which can homogeneously distribute among DEAB sides via coordination interaction and act as inorganic cross‐linkers to aggregate polymer chains. Drug leakage of resultant AuNP hybrid PNP‐3 polymersome (IAuPNP‐3) at pH 7.4 is effectively alleviated and the systemic circulation time of DOX·HCl in mice is obviously prolonged. Besides, pH‐responsive drug release, due to the protonation of tertiary amine in DEAB, contributes to fast intracellular action. Based on the cooperation of these functions, DOX·HCl‐loaded IAuPNP‐3 finally achieves the highest in vivo antitumor efficacy compared with free DOX·HCl, drug‐loaded PNP, or EAuPNP prepared by prepreparation AuNPs method.
Evidence and Effect of Photogenerated Charge Transfer for Enhanced Photocatalysis in WO3/TiO2 Heterojunction Films: A Computational and Experimental Study
Authors: Sotelo‐Vazquez Carlos , Quesada‐Cabrera Raul , Ling Min , Scanlon David O. , Kafizas Andreas , Thakur Pardeep Kumar , Lee Tien‐Lin , Taylor Alaric , Watson Graeme W. , Palgrave Robert G. , Durrant James R. , Blackman Christopher S. , Parkin Ivan P.
Published: March 2017

Semiconductor heterojunctions are used in a wide range of applications including catalysis, sensors, and solar‐to‐chemical energy conversion devices. These materials can spatially separate photogenerated charge across the heterojunction boundary, inhibiting recombination processes and synergistically enhancing their performance beyond the individual components. In this work, the WO3/TiO2 heterojunction grown by chemical vapor deposition is investigated. This consists of a highly nanostructured WO3 layer of vertically aligned nanorods that is then coated with a conformal layer of TiO2. This heterojunction shows an unusual electron transfer process, where photogenerated electrons move from the WO3 layer into TiO2. State‐of‐the‐art hybrid density functional theory and hard X‐ray photoelectron spectroscopy are used to elucidate the electronic interaction at the WO3/TiO2 interface. Transient absorption spectroscopy shows that recombination is substantially reduced, extending both the lifetime and population of photogenerated charges into timescales relevant to most photocatalytic processes. This increases the photocatalytic efficiency of the material, which is among the highest ever reported for a thin film. In allying computational and experimental methods, this is believed to be an ideal strategy for determining the band alignment in metal oxide heterojunction systems.
Ultrathin MnO2/Graphene Oxide/Carbon Nanotube Interlayer as Efficient Polysulfide‐Trapping Shield for High‐Performance Li–S Batteries
Authors: Kong Weibang , Yan Lingjia , Luo Yufeng , Wang Datao , Jiang Kaili , Li Qunqing , Fan Shoushan , Wang Jiaping
Published: March 2017

Ultrathin MnO2/graphene oxide/carbon nanotube (G/M@CNT) interlayers are developed as efficient polysulfide‐trapping shields for high‐performance Li–S batteries. A simple layer‐by‐layer procedure is used to construct a sandwiched vein–membrane interlayer of thickness 2 µm and areal density 0.104 mg cm−2 by loading MnO2 nanoparticles and graphene oxide (GO) sheets on superaligned carbon nanotube films. The G/M@CNT interlayer provides a physical shield against both polysulfide shuttling and chemical adsorption of polysulfides by MnO2 nanoparticles and GO sheets. The synergetic effect of the G/M@CNT interlayer enables the production of Li–S cells with high sulfur loadings (60–80 wt%), a low capacity decay rate (−0.029% per cycle over 2500 cycles at 1 C), high rate performance (747 mA h g−1 at a charge rate of 10 C), and a low self‐discharge rate with high capacity retention (93.0% after 20 d rest). Electrochemical impedance spectroscopy, cyclic voltammetry, and scanning electron microscopy observations of the Li anodes after cycling confirm the polysulfide‐trapping ability of the G/M@CNT interlayer and show its potential in developing high‐performance Li–S batteries.
Enhanced Electrocatalysis via 3D Graphene Aerogel Engineered with a Silver Nanowire Network for Ultrahigh‐Rate Zinc–Air Batteries
Authors: Hu Shang , Han Ting , Lin Chao , Xiang Weikai , Zhao Yonghui , Gao Peng , Du Fuping , Li Xiaopeng , Sun Yuhan
Published: March 2017

3D graphene aerogel (GA) integrated with active metal or its derivatives has emerged as a novel class of multifunctional constructs with range of potential applications. However, GA fabricated by self‐assembly in the liquid phase still suffers from low conductivity and poor knowledge related to spatial active phase distribution and 3D structure. To address these issues, a facile approach involving in situ integration of 1D silver nanowire (AgNW) during gelation of graphene oxide flakes is presented. AgNWs prevent the restacking of graphene sheets and act as an efficient electron highway and Ag source for deposition of ultrasmall Ag nanocrystals (AgNCs). When applied as the cathodic electrocatalyst in a zinc–air battery, the 3D GA integrated with 0D AgNCs and 1D AgNWs permit ultrahigh discharge rates of up to 300 mA cm−2. Moreover, for the first time, with the help of phase‐contrast X‐ray computed microtomography, the interconnected porous network of millimeter‐sized GA and a full‐field view of the macrodistribution of Ag is delivered, offering the vitally complementary macroscopic structure information, which has been missing in previous reports.
Silk Fibroin Biomaterial Shows Safe and Effective Wound Healing in Animal Models and a Randomized Controlled Clinical Trial
Authors: Zhang Wei , Chen Longkun , Chen Jialin , Wang Lingshuang , Gui Xuexian , Ran Jisheng , Xu Guowei , Zhao Hongshi , Zeng Mengfeng , Ji Junfeng , Qian Li , Zhou Jianda , Ouyang Hongwei , Zou Xiaohui
Published: March 2017

Due to its excellent biological and mechanical properties, silk fibroin has been intensively explored for tissue engineering and regenerative medicine applications. However, lack of translational evidence has hampered its clinical application for tissue repair. Here a silk fibroin film is developed and its translational potential is investigated for skin repair by performing comprehensive preclinical and clinical studies to fully evaluate its safety and effectiveness. The silk fibroin film fabricated using all green chemistry approaches demonstrates remarkable characteristics, including transmittance, fluid handling capacity, moisture vapor permeability, waterproofness, bacterial barrier properties, and biocompatibility. In vivo rabbit full‐thickness skin defect study shows that the silk fibroin film effectively reduces the average wound healing time with better skin regeneration compared with the commercial wound dressings. Subsequent assessment in porcine model confirms its long‐term safety and effectiveness for full‐thickness skin defects. Finally, a randomized single‐blind parallel controlled clinical trial with 71 patients shows that the silk fibroin film significantly reduces the time to wound healing and incidence of adverse events compared to commercial dressing. Therefore, the study provides systematic preclinical and clinical evidence that the silk fibroin film promotes wound healing thereby establishing a foundation towards its application for skin repair and regeneration in the clinic.
High‐Performance Nonfullerene Polymer Solar Cells based on Imide‐Functionalized Wide‐Bandgap Polymers
Authors: Fan Baobing , Zhang Kai , Jiang Xiao‐Fang , Ying Lei , Huang Fei , Cao Yong
Published: March 2017

High‐performance nonfullerene polymer solar cells (PSCs) are developed by integrating the nonfullerene electron‐accepting material 3,9‐bis(2‐methylene‐(3‐(1,1‐dicyanomethylene)‐indanone))‐5,5,11,11‐tetrakis(4‐hexylphenyl)‐dithieno[2,3‐d:2′,3′‐d′]‐s‐indaceno[1,2‐b:5,6‐b′]dithiophne) (ITIC) with a wide‐bandgap electron‐donating polymer PTzBI or PTzBI‐DT, which consists of an imide functionalized benzotriazole (TzBI) building block. Detailed investigations reveal that the extension of conjugation can affect the optical and electronic properties, molecular aggregation properties, charge separation in the bulk‐heterojunction films, and thus the overall photovoltaic performances. Single‐junction PSCs based on PTzBI:ITIC and PTzBI‐DT:ITIC exhibit remarkable power conversion efficiencies (PCEs) of 10.24% and 9.43%, respectively. To our knowledge, these PCEs are the highest efficiency values obtained based on electron‐donating conjugated polymers consisting of imide‐functionalized electron‐withdrawing building blocks. Of particular interest is that the resulting device based on PTzBI exhibits remarkable PCE of 7% with the thickness of active layer of 300 nm, which is among the highest values of nonfullerene PSCs utilizing thick photoactive layer. Additionally, the device based on PTzBI:ITIC exhibits prominent stability, for which the PCE remains as 9.34% after thermal annealing at 130 °C for 120 min. These findings demonstrate the great promise of using this series of wide‐bandgap conjugated polymers as electron‐donating materials for high‐performance nonfullerene solar cells toward high‐throughput roll‐to‐roll processing technology.
An Alternative Host Material for Long‐Lifespan Blue Organic Light‐Emitting Diodes Using Thermally Activated Delayed Fluorescence
Authors: Ihn Soo‐Ghang , Lee Namheon , Jeon Soon Ok , Sim Myungsun , Kang Hosuk , Jung Yongsik , Huh Dal Ho , Son Young Mok , Lee Sae Youn , Numata Masaki , Miyazaki Hiroshi , Gómez‐Bombarelli Rafael , Aguilera‐Iparraguirre Jorge , Hirzel Timothy , Aspuru‐Guzik Alán , Kim Sunghan , Lee Sangyoon
Published: March 2017

It has been challenging to find stable blue organic light emitting diodes (OLEDs) that rely on thermally activated delayed fluorescence (TADF). Lack of stable host materials well‐fitted to the TADF emitters is one of the critical reasons. The most popular host for blue TADF, bis[2‐(diphenylphosphino)phenyl] ether oxide (DPEPO), leads to unrealistically high maximum external quantum efficiency. DPEPO is however an unstable material and has a poor charge transporting ability, which in turn induces an intrinsic short OLED operating lifespan. Here, an alternative host material is introduced which educes the potential efficiency and device lifespan of given TADF emitters with the appropriateness of replacing the most popular host material, DPEPO, in developing blue TADF emitters. It simultaneously provides much longer device lifespan and higher external quantum efficiency at a practical brightness due to its high material stability and electron‐transport‐type character well‐fitted for hole‐transport‐type TADF emitters.
Trends in Aluminium‐Based Intercalation Batteries
Authors: Ambroz Filip , Macdonald Thomas J. , Nann Thomas
Published: March 2017

Over the last decade, optimizing energy storage has become significantly important in the field of energy conversion and sustainability. As a result of immense progress in the field, cost‐effective and high performance batteries are imperative to meeting the future demand of sustainability. Currently, the best performing batteries are lithium‐ion based, but limited lithium (Li) resources make research into alternatives essential. In recent years, the performance of aluminium‐ion batteries has improved remarkably in all battery‐relevant metrics, which renders them a promising alternative. Compared with monovalent Li‐ion batteries, aluminium (Al) cations can carry three positive charges, which could result in higher energy densities. This review describes recent developments in Al‐based cathode materials. The major goal of this review is to highlight strengths and weaknesses of various different approaches and provide guidelines for future research.
Highly efficient recovery of propane by mixed‐matrix membrane via embedding functionalized graphene oxide nanosheets into polydimethylsiloxane
Authors: Shen Guoshun , Zhao Jing , Guan Kecheng , Shen Jie , Jin Wanqin
Published: March 2017

To construct rapid C3H8 transport pathways in polymer matrix, alkyl chain‐functionalized graphene oxide (GO) was prepared via grafting octadecylamine (ODA) molecules and then embedded into polydimethylsiloxane (PDMS) matrix to obtain high‐efficiency mixed matrix membranes (MMMs). The incorporation of alkyl chains contributes to lowering the surface energy of GO nanosheets and providing higher affinity with PDMS matrix. Additionally, the alkyl chains on the surface of ODA‐functionalized GO nanosheets (ODA‐GO) are in favor of C3H8 adsorption, thus conferring continuous and specific transport pathways for C3H8. The optimized membrane with ODA‐GO loading of 0.3 wt% exhibits the C3H8 permeance of 1897 GPU and the C3H8/N2 ideal selectivity of 67, which are 50.2 and 72.5% higher than those of bare PDMS membrane, respectively. The simultaneous enhancement of C3H8 permeance and C3H8/N2 ideal selectivity indicates that ODA‐GO is an effective filler applied in MMMs for C3H8 recovery. © 2017 American Institute of Chemical Engineers AIChE J, 63: 3501–3510, 2017
Bridging the Dialectic: Diversity, Psychological Sense of Community, and Inclusion
Authors: Brodsky Anne E.
Published: March 2017

Although, there are many times when P/SOC and diversity appear in opposition, I argue that this conflict is not inherent to the concepts or their joint value, but to social contexts in which they are enacted in real life. The primary values of community psychology—building and supporting positive communities, social change, and social justice within a framework that recognizes the centrality of diversity, culture, inclusion, power, and privilege—actually bind diversity and community together. Thus, we can bridge this seeming dialectic through deeper reflection about the real and intended meaning, operationalization, and application of these two terms, and a reliance on the central values of our field.
The Impact of Family Unification Housing Vouchers on Child Welfare Outcomes
Authors: Pergamit Michael , Cunningham Mary , Hanson Devlin
Published: March 2017

Highlights

Examines the Family Unification Program using a comparison group.

Provides insights on targeting families to receive vouchers.

Suggests that providing housing vouchers can help child welfare agencies meet agency objectives.
Identification of new BMP6 pro‐peptide mutations in patients with iron overload
Authors: Piubelli Chiara , Castagna Annalisa , Marchi Giacomo , Rizzi Monica , Busti Fabiana , Badar Sadaf , Marchetti Monia , De Gobbi Marco , Roetto Antonella , Xumerle Luciano , Suku Eda , Giorgetti Alejandro , Delledonne Massimo , Olivieri Oliviero , Girelli Domenico
Published: March 2017

Hereditary Hemochromatosis (HH) is a genetically heterogeneous disorder caused by mutations in at least five different genes (HFE, HJV, TFR2, SLC40A1, HAMP) involved in the production or activity of the liver hormone hepcidin, a key regulator of systemic iron homeostasis. Nevertheless, patients with an HH‐like phenotype that remains completely/partially unexplained despite extensive sequencing of known genes are not infrequently seen at referral centers, suggesting a role of still unknown genetic factors. A compelling candidate is Bone Morphogenetic Protein 6 (BMP6), which acts as a major activator of the BMP‐SMAD signaling pathway, ultimately leading to the upregulation of hepcidin gene transcription. A recent seminal study by French authors has described three heterozygous missense mutations in BMP6 associated with mild to moderate late‐onset iron overload (IO). Using an updated next‐generation sequencing (NGS)‐based genetic test in IO patients negative for the classical HFE p.Cys282Tyr mutation, we found three BMP6 heterozygous missense mutations in four patients from three different families. One mutation (p.Leu96Pro) has already been described and proven to be functional. The other two (p.Glu112Gln, p.Arg257His) were novel, and both were located in the pro‐peptide domain known to be crucial for appropriate BMP6 processing and secretion. In silico modeling also showed results consistent with their pathogenetic role. The patients' clinical phenotypes were similar to that of other patients with BMP6‐related IO recently described. Our results independently add further evidence to the role of BMP6 mutations as likely contributing factors to late‐onset moderate IO unrelated to mutations in the established five HH genes.
Retinal dystrophy in two boys with Costello syndrome due to the HRAS p.Gly13Cys mutation
Authors: Pierpont Mary Ella , Richards Mary , Engel W. Keith , Mendelsohn Nancy J. , Summers C. Gail
Published: March 2017

Features of Costello Syndrome, a systemic disorder caused by germline mutations in the proto‐oncogene HRAS from the RAS/MAPK pathway, include failure‐to‐thrive, short stature, coarse facial features, cardiac defects including hypertrophic cardiomyopathy, intellectual disability, and predisposition to neoplasia. Two unrelated boys with Costello syndrome and an HRAS mutation (p.Gly13Cys) are presented with their ophthalmologic findings. Both had early symptoms of nystagmus, photophobia, and vision abnormalities. Fundus examination findings of retinal dystrophy were present at age 3 years. Both boys have abnormal electroretinograms with reduced or undetectable rod responses along with reduced cone responses consistent with rod‐cone dystrophy. Our observations suggest that early ophthalmic examination and re‐evaluations are indicated in children with Costello syndrome.
Particle localization and hyperuniformity of polymer‐grafted nanoparticle materials
Authors: Chremos Alexandros , Douglas Jack F.
Published: March 2017

The properties of materials largely reflect the degree and character of the localization of the molecules comprising them so that the study and characterization of particle localization has central significance in both fundamental science and material design. Soft materials are often comprised of deformable molecules and many of their unique properties derive from the distinct nature of particle localization. We study localization in a model material composed of soft particles, hard nanoparticles with grafted layers of polymers, where the molecular characteristics of the grafted layers allow us to “tune” the softness of their interactions. Soft particles are particular interesting because spatial localization can occur such that density fluctuations on large length scales are suppressed, while the material is disordered at intermediate length scales; such materials are called “disordered hyperuniform”. We use molecular dynamics simulation to study a liquid composed of polymer‐grafted nanoparticles (GNP), which exhibit a reversible self‐assembly into dynamic polymeric GNP structures below a temperature threshold, suggesting a liquid‐gel transition. We calculate a number of spatial and temporal correlations and we find a significant suppression of density fluctuations upon cooling at large length scales, making these materials promising for the practical fabrication of “hyperuniform” materials.
Strukturanpassung eines Proteins an Metallbelastung: NMR‐Struktur eines marinen Schnecken‐Metallothioneins mit einer zusätzlichen Domäne
Authors: Baumann Christian , Beil Andrea , Jurt Simon , Niederwanger Michael , Palacios Oscar , Capdevila Mercè , Atrian Sílvia , Dallinger Reinhard , Zerbe Oliver
Published: March 2017

Die dreidimensionale Struktur des Metallothioneins (MT) der Großen Strandschnecke (Littorina littorea), LlMT, im Komplex mit Cd2+‐Ionen wurde NMR‐spektroskopisch aufgeklärt. Das LlMT ist imstande, neun Zn2+‐ oder neun Cd2+‐Ionen zu binden. Sequenz‐Alignments mit MTs anderer Gastropoden lassen darauf schließen, dass das Protein wahrscheinlich aus drei Domänen aufgebaut ist. Das Protein ist in drei Einzeldomänen unterteilt, von denen jede eine gut definierte Faltung in Form eines Drei‐Metall‐Clusters annimmt. Die mittlere α2‐ und die C‐terminale β‐Domäne sind zueinander in einer definierten relativen Orientierung positioniert. Zwei Varianten des LlMT, mit einem längeren und einem kürzeren Linker, wurden ebenfalls untersucht; die spezifischen Kontakte zwischen den Domänen traten nur im Fall des Wildtyp‐Linkers auf. Eine weitere Mutante, bei der die einander sehr ähnlichen α1‐ und α2‐Domänen miteinander vertauscht wurden, zeigte eine fast identische Struktur zum Wildtyp‐MT. Die Expression eines Drei‐Domänen‐MT könnte Littorina littorea einen evolutionären Vorteil bei der Bewältigung von Cd2+‐Stress und widrigen Umweltbedingungen verleihen.
Unravelling a Direct Role for Polysaccharide β‐Strands in the Higher Order Structure of Physical Hydrogels
Authors: Rüther Anja , Forget Aurelien , Roy Anjan , Carballo Carolina , Mießmer Florian , Dukor Rina K. , Nafie Laurence A. , Johannessen Christian , Shastri V. Prasad , Lüdeke Steffen
Published: March 2017

The mechanical properties of agarose‐derived hydrogels depend on the scaffolding of the polysaccharide network. To identify and quantify such higher order structure, we applied Raman optical activity (ROA)—a spectroscopic technique that is highly sensitive toward carbohydrates—on native agarose and chemically modified agarose in the gel phase for the first time. By spectral global fitting, we isolated features that change as a function of backbone carboxylation (28, 40, 50, 60, 80, and 93 %) from other features that remain unchanged. We assigned these spectral features by comparison to ROA spectra calculated for different oligomer models. We found a 60:40 ratio of double‐ and single‐stranded α‐helix in the highly rigid hydrogel of native agarose, while the considerably softer hydrogels made from carboxylated agarose use a scaffold of unpaired β‐strands.
Accelerated Oxygen Atom Transfer and C−H Bond Oxygenation by Remote Redox Changes in Fe3Mn‐Iodosobenzene Adducts
Authors: de Ruiter Graham , Carsch Kurtis M. , Gul Sheraz , Chatterjee Ruchira , Thompson Niklas B. , Takase Michael K. , Yano Junko , Agapie Theodor
Published: March 2017

We report the synthesis, characterization, and reactivity of [LFe3(PhPz)3OMn(sPhIO)][OTf]x (3: x=2; 4: x=3), where 4 is one of very few examples of iodosobenzene–metal adducts characterized by X‐ray crystallography. Access to these rare heterometallic clusters enabled differentiation of the metal centers involved in oxygen atom transfer (Mn) or redox modulation (Fe). Specifically, 57Fe Mössbauer and X‐ray absorption spectroscopy provided unique insights into how changes in oxidation state (FeIII2FeIIMnII vs. FeIII3MnII) influence oxygen atom transfer in tetranuclear Fe3Mn clusters. In particular, a one‐electron redox change at a distal metal site leads to a change in oxygen atom transfer reactivity by ca. two orders of magnitude.
Structural Adaptation of a Protein to Increased Metal Stress: NMR Structure of a Marine Snail Metallothionein with an Additional Domain
Authors: Baumann Christian , Beil Andrea , Jurt Simon , Niederwanger Michael , Palacios Oscar , Capdevila Mercè , Atrian Sílvia , Dallinger Reinhard , Zerbe Oliver
Published: March 2017

In this study, we present an NMR structure of the metallothionein (MT) from the snail Littorina littorea (LlMT) in complex with Cd2+. LlMT is capable of binding 9 Zn2+ or 9 Cd2+ ions. Sequence alignments with other snail MTs revealed that the protein is likely composed of three domains. The study revealed that the protein is divided into three individual domains, each of which folds into a single well‐defined three‐metal cluster. The central α2 and C‐terminal β domains are positioned with a unique relative orientation. Two variants with longer and shorter linkers were investigated, which revealed that specific interdomain contacts only occurred with the wild‐type linker. Moreover, a domain‐swap mutant in which the highly similar α1 and α2 domains were exchanged was structurally almost identical. It is suggested that the expression of a three‐domain MT confers an evolutionary advantage on Littorina littorea in terms of coping with Cd2+ stress and adverse environmental conditions.
Synthesis of Rationally Halogenated Buckybowls by Chemoselective Aromatic C−F Bond Activation
Authors: Papaianina Olena , Akhmetov Vladimir A. , Goryunkov Alexey A. , Hampel Frank , Heinemann Frank W. , Amsharov Konstantin Y.
Published: March 2017

Halogenated buckybowls or bowl‐shaped polycyclic aromatic hydrocarbons (BS‐PAHs) are key building blocks for the “bottom‐up” synthesis of various carbon‐based nanomaterials with outstanding potential in different fields of technology. The current state of the art provides quite a limited number of synthetic pathways to BS‐PAHs; moreover, none of these approaches show high selectivity and tolerance of functional groups. Herein we demonstrate an effective route to BS‐PAHs that includes directed intramolecular aryl–aryl coupling through C−F bond activation. The coupling conditions were found to be completely tolerant toward aromatic C−Br and C−Cl bonds, thus allowing the facile synthesis of rationally halogenated buckybowls with an unprecedented level of selectivity. This finding opens the way to functionalized BS‐PAH systems that cannot be obtained by alternative methods.
Photochromism and Dual‐Color Fluorescence in a Polyoxometalate–Benzospiropyran Molecular Switch
Authors: Parrot Arnaud , Bernard Aurélie , Jacquart Aurélie , Serapian Stefano Artin , Bo Carles , Derat Etienne , Oms Olivier , Dolbecq Anne , Proust Anna , Métivier Rémi , Mialane Pierre , Izzet Guillaume
Published: March 2017

The photophysical properties of a Keggin‐type polyoxometalate (POM) covalently bounded to a benzospiropyran (BSPR) unit have been investigated. These studies reveal that both closed and open forms are emissive with distinct spectral features (λem (closed form)=530 nm, λem (open form)=670 nm) and that the fluorescence of the BSPR unit of the hybrid is considerably enhanced compared to BSPR parent compounds. While the fluorescence excitation energy of the BSPR reference compounds (370 nm) is close to the intense absorption responsible of the photochromic character (350 nm), the fluorescence excitation of the hybrid is shifted to lower energy (400 nm), improving the population of the emissive state. Combined NOESY NMR and theoretical calculations of the closed form of the hybrid give an intimate understanding of the conformation adopted by the hybrid and show that the nitroaryl moieties of the BSPR is folded toward the POM, which should affect the electronic properties of the BSPR.
A recyclable β‐cyclodextrins‐based supramolecular adsorbent for removal of organic dyes
Authors: Hao Rui , Zhu Yu , Wang Xiaoyu , Chen Li
Published: March 2017

In this article, a novel recyclable β‐cyclodextrins (β‐CDs)‐based supramolecular adsorbent had been fabricated. With Fe3O4 magnetic nanoparticles as core, the adsorbent could be separated from water conveniently. Moreover, the hydrophobic β‐CDs caving had strong host‐guest interaction with organic compounds to form complexes. With the pH value changing, the stable complexes would disassemble to recover the adsorbent. Fourier transform infrared analysis, X‐ray diffraction measurement, transmission electron microscopy measurements, thermogravimetric analysis, and vibrating sample magnetometer analysis had been explored to confirm the structure and properties of supramolecular adsorbent. Congo red and Rhodamine B were used to characterize the adsorption capacity of adsorbent. By changing the parameters such as temperature, time, adsorbent dosage, and pH value indicated that the designed adsorbent could rapidly remove organic dyes from water with satisfactory removal effects and adsorbent recycling capacity. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45084.
Surface modification of textile material through deposition of regenerated silk fibroin
Authors: Ngo Ha‐Thanh , Bechtold Thomas
Published: March 2017

Regeneration of silk fibroin from calcium chloride/ethanol/water solution is of high interest to shape biomaterial based products for medical and technical application. In this study a continuous process for surface modification of cellulose or polyamide fibers by regenerated fibroin deposits has been investigated. The decomposition of the fibroin‐calcium complex was initiated by addition of K2CO3 followed by a methanol rinse. Reactive Blue 19 labeled fibroin was used to monitor the deposition of fibroin on the substrates by colour measurement. The fibroin deposits on the fabric were characterized by microscopy, N‐content, calcium, and protein content. Stiffness and surface resistivity of modified fabrics were determined as representative physical parameters. The reduced mobility of fibers increased fabric stiffness. Surface resistivity of treated samples was reduced by a factor of 10 to 100, which gives an example for the potential of the technique as coating for man‐made fiber textiles. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45098.
Multinomial additive hazard model to assess the disability burden using cross‐sectional data
Authors: Yokota Renata T. C. , Van Oyen Herman , Looman Caspar W. N. , Nusselder Wilma J. , Otava Martin , Kifle Yimer Wasihun , Molenberghs Geert
Published: March 2017

Population aging is accompanied by the burden of chronic diseases and disability. Chronic diseases are among the main causes of disability, which is associated with poor quality of life and high health care costs in the elderly. The identification of which chronic diseases contribute most to the disability prevalence is important to reduce the burden. Although longitudinal studies can be considered the gold standard to assess the causes of disability, they are costly and often with restricted sample size. Thus, the use of cross‐sectional data under certain assumptions has become a popular alternative. Among the existing methods based on cross‐sectional data, the attribution method, which was originally developed for binary disability outcomes, is an attractive option, as it enables the partition of disability into the additive contribution of chronic diseases, taking into account multimorbidity and that disability can be present even in the absence of disease. In this paper, we propose an extension of the attribution method to multinomial responses, since disability is often measured as a multicategory variable in most surveys, representing different severity levels. The R functionconstrOptimis used to maximize the multinomial log‐likelihood function subject to a linear inequality constraint. Our simulation study indicates overall good performance of the model, without convergence problems. However, the model must be used with care for populations with low marginal disability probabilities and with high sum of conditional probabilities, especially with small sample size. For illustration, we apply the model to the data of the Belgian Health Interview Surveys.
The evolution of informed consent
Authors: Wheeler R
Published: March 2017

Shared decision-making replaces consent
Retracted:Effects of miR‐145‐5p throughNRASon the cell proliferation, apoptosis, migration, and invasion in melanoma by inhibitingMAPKandPI3K/AKTpathways
Authors: Liu Sha , Gao Guozhen , Yan Dexiong , Chen Xiangjun , Yao Xingwei , Guo Shuzhong , Li Guirong , Zhao Yu
Published: March 2017

We aimed to detect the effects of miR‐145‐5p on the cell proliferation, apoptosis, migration, and invasion inNRAS‐mutant,BRAF‐mutant, and wild‐type melanoma cells, in order to figure out the potential mechanisms and provide a novel therapeutic target of melanoma.RT‐qPCRand western blot were used to detect the expression of miR‐145‐5p andNRASin melanoma tumor tissues and cells, respectively. Luciferase assay was performed to determine whether miR‐145‐5p directly targetedNRAS. After transfecting miR‐145‐5p mimics, miR‐145‐5p inhibitors, NRAS cDNA and NRAS siRNA into CHL‐1, VMM917 and SK‐mel‐28 cells, functional assays were used to detect the proliferation, apoptosis, invasion and migration, including MTT, flow cytometry, Transwell and wound healing assays. In addition, xenograft models in nude mice were also conducted to verify the role of miR‐145‐5p in vivo. MiR‐145‐5p was able to suppress proliferation, invasion, and migration ofVMM917 andCHL‐1 cells and induce apoptosis by inhibitingMAPKandPI3K/AKTpathways. However, aberrant expression of miR‐145‐5p andNRAShas little impact on the viability and metastasis ofBRAF‐mutant melanoma. The higher expression of miR‐145‐5p in xenograft models repressed theVMM917‐induced andCHL‐1‐induced tumor growth observably and has little effect onSK‐mel‐28‐induced tumor growth which was consistent with the results in vitro. Through targetingNRAS, miR‐145‐5p could suppress cell proliferation, invasion, and migration and induce apoptosis ofCHL‐1 andVMM917 melanoma cells by inhibitingMAPKandPI3K/AKTpathways.
Antitumor activity of chLpMab‐2, a human–mouse chimeric cancer‐specific antihuman podoplanin antibody, via antibody‐dependent cellular cytotoxicity
Authors: Kaneko Mika K. , Yamada Shinji , Nakamura Takuro , Abe Shinji , Nishioka Yasuhiko , Kunita Akiko , Fukayama Masashi , Fujii Yuki , Ogasawara Satoshi , Kato Yukinari
Published: March 2017

Human podoplanin (hPDPN), a platelet aggregation‐inducing transmembrane glycoprotein, is expressed in different types of tumors, and it binds to C‐type lectin‐like receptor 2 (CLEC‐2). The overexpression of hPDPN is involved in invasion and metastasis. Anti‐hPDPN monoclonal antibodies (mAbs) such as NZ‐1 have shown antitumor and antimetastatic activities by binding to the platelet aggregation‐stimulating (PLAG) domain of hPDPN. Recently, we developed a novel mouse anti‐hPDPN mAb, LpMab‐2, using the cancer‐specific mAb (CasMab) technology. In this study we developed chLpMab‐2, a human–mouse chimeric anti‐hPDPN antibody, derived from LpMab‐2. chLpMab‐2 was produced using fucosyltransferase 8‐knockout (KO) Chinese hamster ovary (CHO)‐S cell lines. By flow cytometry, chLpMab‐2 reacted with hPDPN‐expressing cancer cell lines including glioblastomas, mesotheliomas, and lung cancers. However, it showed low reaction with normal cell lines such as lymphatic endothelial and renal epithelial cells. Moreover, chLpMab‐2 exhibited high antibody‐dependent cellular cytotoxicity (ADCC) against PDPN‐expressing cells, despite its low complement‐dependent cytotoxicity. Furthermore, treatment with chLpMab‐2 abolished tumor growth in xenograft models of CHO/hPDPN, indicating that chLpMab‐2 suppressed tumor development via ADCC. In conclusion, chLpMab‐2 could be useful as a novel antibody‐based therapy against hPDPN‐expressing tumors.
Keep your eye on…
Authors: Knopf Alison
Published: March 2017

The risk of maltreatment for children with intellectual disability, mental/behavioral problems, and conduct disorder

The importance of both behavioral and affective conceptualizations of ODD
Meta‐analysis: 6 antipsychotics — but not ziprasidone — equally effective for acute early‐onset schizophrenia
Authors: Knopf Alison
Published: March 2017

Researchers conducted a literature search to determine which antipsychotics were best for early‐onset schizophrenia. They found that efficacy was similar for aripiprazole, paliperidone, risperidone, quetiapine, olanzapine, and molindone, but inferior for ziprasidone and unclear for asenapine. However, adverse reaction profiles varied substantially, and were consistent with findings in adults.
Talking to children about racial bias
Authors: Knopf Alison
Published: March 2017

In 1949, the Rodgers and Hammerstein musical South Pacific was performed for the first time. One song — “You've Got to Be Carefully Taught” — is preceded by the line that racism “is not born in you — it happens after you're born.” The lyrics were a condemnation of the prejudice of the time — not only the time depicted in the story, but in the postwar United States, where many believed that interracial marriage was a threat to America. (See excerpt of the lyrics at the end of this article.)
Antiplatelet therapy in acute coronary syndrome
Authors: Brown A. J. M. , Austin D.
Published: March 2017

Antiplatelet therapy is an essential component in the treatment of acute coronary syndromes (ACS). ACS management has evolved significantly over recent years with new antiplatelet agents with distinct pharmacological properties that offer a faster onset of action and greater potency. Prospective randomized controlled trials have not only focused on reducing ischemic events, but also on complications. There is a tipping point with safety/efficacy, beyond which bleeding risk can outweigh any anti‐ischemic benefit. This tipping point is not fixed and estimating its position for an individual patient remains a major challenge and is critically influenced by a multitude of factors including age and comorbidity. The European Society of Cardiology (ESC) guidelines provide important direction to the trainee and practicing cardiologist. This article outlines development in antiplatelet therapy focusing on mechanism of action, the evolution in the evidence‐base, clinical indications, and clinical controversies.

Answer questions and earn CME: https://wileyhealthlearning.com/Activity2/5222689/Activity.aspx
Ventricular arrhythmias in acute coronary syndromes—mechanisms and management
Authors: Thomas D. E. , Jex N. , Thornley A. R.
Published: March 2017

Ventricular arrhythmias occur commonly following myocardial infarction and carry important prognostic implications. The mechanisms involved are varied and time‐dependent, changing with the evolution of the infarct, and this has implications for the management of both the arrhythmia and the index ischemic insult, which are discussed in this article. Current evidence‐based best practice and management guidelines are reviewed, and consideration is given to some of the unique challenges that managing this group of patients brings.

Answer questions and earn CME: https://wileyhealthlearning.com/Activity2/5222694/Activity.aspx
Nitrogen‐Doped Carbon‐Encapsulated Nickel/Cobalt Nanoparticle Catalysts for Olefin Migration in Allylarenes
Authors: Kramer Søren , Mielby Jerrik , Buss Kasper , Kasama Takeshi , Kegnæs Søren
Published: March 2017

Olefin migration in allylarenes is typically performed with precious‐metal‐based homogeneous catalysts. In contrast, very limited progress has been made with the use of cheap, Earth‐abundant base metals as heterogeneous catalysts for these transformations—in spite of the obvious economic and environmental advantages. Herein, we report on the use of an easily prepared heterogeneous catalyst material for the migration of olefins, in particular, for allylarenes. The catalyst material consists of nickel/cobalt alloy nanoparticles encapsulated in nitrogen‐doped carbon shells. The encapsulated nanoparticles are stable in air and are easily collected by centrifugation, filtration, or magnetic separation. Furthermore, we demonstrate that the catalysts can be reused several times and provide continuously high yields of the olefin‐migration product.
Core–Shell‐Structured NiS2@Ni‐Bi Nanoarray for Efficient Water Oxidation at Near‐Neutral pH
Authors: Ma Xiao , Ma Min , Liu Danni , Hao Shuai , Qu Fengli , Du Gu , Asiri Abdullah M. , Sun Xuping
Published: March 2017

The development of high‐performance and cost‐effective water oxidation catalysts operating under mild conditions is attractive for the conversion of electricity into chemical fuels. In this communication, we report the in situ electrochemical development of a Ni‐Bi layer (5–8 nm thick) on a NiS2 nanoarray supported on carbon cloth (i.e., NiS2@Ni‐Bi/CC) for efficient water oxidation in 0.1 m potassium borate electrolyte at pH 9.2. As a durable 3 D catalyst electrode, core–shell‐structured NiS2@Ni‐Bi/CC shows excellent catalytic activity for water oxidation and approaches a geometrical catalytic current density of 20 mA cm−2 at an overpotential of 486 mV, with long‐term electrochemical stability for at least 24 h with a high turnover frequency of 0.28 mol O2 s−1 at an overpotential of 500 mV and nearly 100 % Faradic efficiency for oxygen evolution.
Motivational focus of international entrepreneurs in Spain: From early explorers to straggler exploiters
Authors: Santos‐Álvarez Valle , García‐Merino Teresa
Published: March 2017

We analyze the motivation of entrepreneurs who lead business internationalization. We study how motivation affects the entry timing into overseas markets as well as the selection of markets. We use the regulatory focus theory that recognizes two orientations: promotion versus prevention. Then, we define a typology of entrepreneurs: early explorer, straggler exploiter, early exploiter, and straggler explorer. We review interviews published in a Spanish journal centred on internationalization and perform a content analysis that allows us to identify the motivation of entrepreneurs. Results indicate that promotion focus is the most common and that experiential knowledge emerges as a key factor in the shift in motivation governing the selection of overseas markets. Copyright © 2017 ASAC. Published by John Wiley & Sons, Ltd.
Rationale and design of a multicenter, international and collaborative Coronary Artery Aneurysm Registry (CAAR)
Authors: Núñez‐Gil Iván J. , Nombela‐Franco Luis , Bagur Rodrigo , Bollati Mario , Cerrato Enrico , Alfonso Emilio , Liebetrau Christoph , De la Torre Hernandez José María , Camacho Benjamín , Mila Rafael , Amat‐Santos Ignacio J. , Alfonso Fernando , Rodríguez‐Olivares Ramón , Camacho Freire Santiago J. , Lozano Íñigo , Jiménez Díaz Víctor Alfonso , Piraino Davide , Latini Roberto Adriano , Feltes Gisela , Linares Jose Antonio , Mancone Massimo , Ielasi Alfonso , Sánchez‐Grande Flecha Alejandro , Fernández Cisnal Agustín , Ugo Fabrizio , Jiménez Mazuecos Jesús M. , Omedè Pierluigi , Pavani Marco , Villablanca Pedro A. , Louka Boshra F. , Fernández‐Ortiz Antonio ,   on behalf of the CAAR Investigators
Published: March 2017

Coronary artery aneurysm is defined as a coronary dilation that exceeds the diameter of adjacent segments or the diameter of the patient's largest normal coronary vessel by 1.5×. It is an uncommon disease that has been diagnosed with increasing frequency since the widespread appearance of coronary angiography. The published incidence varies from 1.5% to 5%, suggesting male dominance and a predilection for the right coronary artery. Although several causes have been described, atherosclerosis accounts for ≥50% of coronary aneurysms in adults. Reported complications include thrombosis and distal embolization, rupture, and vasospasm, causing ischemia, heart failure, or arrhythmias. The natural history and prognosis remain unknown, as definitive data are scarce. Controversies persist regarding the use of medical management (antithrombotic therapy) or interventional/surgical procedures. Only some case reports or small case series are available about this condition. The Coronary Artery Aneurysm Registry (CAAR; http://www.ClinicalTrials.gov NCT02563626) is a multicenter international ambispective registry that aims to provide insights on anatomic, epidemiologic, and clinical aspects of this substantially unknown entity. In addition, the registry will assess management strategies (conservative, interventional, or surgical) and their short‐ and long‐term results in a large cohort of patients.

Clinical Trial registration: ClinicalTrials.gov. Unique identifier: NCT02563626.
Molecular Features of the YAP Inhibitor Verteporfin: Synthesis of Hexasubstituted Dipyrrins as Potential Inhibitors of YAP/TAZ, the Downstream Effectors of the Hippo Pathway
Authors: Gibault Floriane , Bailly Fabrice , Corvaisier Matthieu , Coevoet Mathilde , Huet Guillemette , Melnyk Patricia , Cotelle Philippe
Published: March 2017

Porphyrin derivatives, in particular verteporfin (VP), a photosensitizer initially designed for cancer therapy, have been identified as inhibitors of the YAP–TEAD interaction and transcriptional activity. Herein we report the efficient convergent synthesis of the dipyrrin half of protoporphyrin IX dimethyl ester (PPIX‐DME), in which the sensitive vinyl group was created at the final stage by a dehydroiodination reaction. Two other dipyrrin derivatives were synthesized, including dipyrrin 19 [(Z)‐2‐((3,5‐dimethyl‐4‐vinyl‐2H‐pyrrol‐2‐ylidene)methyl)‐3,5‐dimethyl‐4‐vinyl‐1H‐pyrrole], containing two vinyl groups. We found that VP and dipyrrin 19 showed significant inhibitory effects on TEAD transcriptional activity in MDA‐MB‐231 human breast cancer cells, whereas other compounds did not show significant changes. In addition, we observed a marked decrease in both YAP and TAZ levels following VP treatment, whereas dipyrrin 19 treatment primarily decreased the levels of YAP and receptor kinase AXL, a downstream target of YAP. Together, our data suggest that, due to their chemical structures, porphyrin‐ and dipyrrin‐related derivatives can directly target YAP and/or TAZ proteins and inhibit TEAD transcriptional activity.