bluuebunny/crossref_metadata_2025_split huggingface dataset:
Adaptation of the bound intrinsically disordered protein YAP to mutations at the YAP:TEAD interface
Authors: Mesrouze Yannick , Bokhovchuk Fedir , Izaac Aude , Meyerhofer Marco , Zimmermann Catherine , Fontana Patrizia , Schmelzle Tobias , Erdmann Dirk , Furet Pascal , Kallen Joerg , Chène Patrick 
Published: July 2018

AbstractMany interactions between proteins are mediated by intrinsically disordered regions (IDRs). Intrinsically disordered proteins (IDPs) do not adopt a stable three‐dimensional structure in their unbound form, but they become more structured upon binding to their partners. In this communication, we study how a bound IDR adapts to mutations, preventing the formation of hydrogen bonds at the binding interface that needs a precise positioning of the interacting residues to be formed. We use as a model the YAP:TEAD interface, where one YAP (IDP) and two TEAD residues form hydrogen bonds via their side chain. Our study shows that the conformational flexibility of bound YAP and the reorganization of water molecules at the interface help to reduce the energetic constraints created by the loss of H‐bonds at the interface. The residual flexibility/dynamic of bound IDRs and water might, therefore, be a key for the adaptation of IDPs to different interface landscapes and to mutations occurring at binding interfaces.
Influenza infection presenting with pulmonary congestion: influenza myocarditis
Authors: Yamasaki Masahiro , Okada Takenori , Sumimoto Yoji , Hattori Noboru 
Published: July 2018

Key messageInfluenza myocarditis is a rare but life‐threatening complication of influenza infection. Pneumonitis is a well‐known complication of influenza infection, and chest computed tomography (CT) is useful for diagnosing pneumonitis. In addition, myocarditis should be considered in cases of pulmonary congestion observed on chest CT.
Phenology and climate change in Africa and the decline of Afro‐Palearctic migratory bird populations
Authors: Beresford Alison E. , Sanderson Fiona J. , Donald Paul F. , Burfield Ian J. , Butler Adam , Vickery Juliet A. , Buchanan Graeme M. 
Published: July 2018

AbstractThe populations of many Afro‐Palearctic migratory bird species have declined over the last 50 years, for reasons that remain poorly understood, but which could include major environmental changes in Africa. We mapped, for the first time, the aggregated population trends of migratory species onto their non‐breeding distributions in sub‐Saharan Africa and used regression models that account for non‐stationarity to examine correlations between assemblage population trend indices and changes in climate and vegetation phenology over the same time period. This also allowed us to map geographical variation in these relationships across Africa. Our results revealed that relationships between population trends of migrant bird species and climate and phenology are spatially highly variable, and that there are no consistent, flyway‐wide associations between climate or phenology and population trends. However, we found evidence that migrant population changes may be more closely linked to indices of vegetation senescence and climate than to indices of greening, suggesting further lines of investigation. Simply using cumulative Normalised Difference Vegetation Index (NDVI) across Africa greatly underestimates the extent to which phenology and climate vary spatially, as do the relationships between population trends and these environmental variables. Furthermore, much better data on the nonbreeding ecology and distributions of migrants, including connectivity between breeding and wintering grounds, are needed if we are to assess with any confidence the extent to which they may be impacted by changes in environmental conditions in Africa. Until then, we suggest that there is no simple relationship between migrant populations and NDVI across species’ ranges, and that further studies should, at the very least, consider the multiple dimensions of phenology and the potential for spatial variation in relationships.
Synthesis of 2‐[1H‐indol‐2‐yl(1H‐indol‐3‐yl)methyl]phenol and Its Application in Aqueous Rechargeable Lithium‐Ion Batteries
Authors: Rajshekar Shetty Vijeth , Kumar Anil , Shivappa Suresh Gurukara , Mahadevan Kittappa Malavalli 
Published: July 2018

AbstractThe present work focuses on a novel synthetic approach for a bis‐Indole derivative and its applications in energy storage devices. Here, an aqueous rechargeable lithium ion battery (ARLIB) with organic active material electrodes of inexpensive and sustainable, bis‐indole derivative called 2‐[1H‐indol‐2‐yl(1H‐indol‐3‐yl)methyl]phenol (b‐IMP) and Lithiated quinizarin (Li‐QZ) are used as cathode and anode respectively in saturated Li2SO4supporting electrolyte. The electrochemical activities of these organic redox active materials are studied using cyclic voltammetry, galvanostatic charge potential limit and potentiostatic electrochemical impedance spectroscopy methods. The cell b‐IMP | Sat. Li2SO4 | Li‐QZ has delivered an exceptionally better cell‐voltage of 0.7 V with a discharge capacity of 292 mA h g−1 with 92% columbic efficiency even after 300 cycles. The cell comprises of b‐IMP and Li‐QZ as cathode and anode materials respectively, which exhibits remarkable cyclizability with good discharge capacity and thus signifies a major advance in organic ARLIBs.
Carbon Fibers Obtained from Flax and Their Adsorption Performance in the Removal of Cu(II) and Co(II) from Aqueous Solutions
Authors: Fronczak Maciej , Kowalik Marlena , Bystrzejewski Michał 
Published: July 2018

AbstractThe systematic studies on oxidation of carbon fibers with nitric acid are presented. The carbon fibers were synthesized from the low‐cost and natural stock (flax fibers) via the controlled carbonization. The non‐oxidized and surface oxidized carbon fibers were thoroughly characterized by means of electron microscopy, FT‐IR spectroscopy, thermogravimetry, point of zero charge determination, Boehm titration and nitrogen adsorption at 77K. The second part of this work was focused on the evaluation of adsorption properties of oxidized carbon fibers and their potential in the removal of copper(II) and cobalt(II) ions from aqueous solutions. The obtained results bring a conclusion that the concentration of nitric acid is a key parameter which drives the content of oxygen surface groups, thermal stability and adsorption performance of carbon fibers. The obtained oxidized carbon fibers were found to be prospective adsorbents of CuII and CoII from aqueous solutions.
Facile Fabrication of Flower‐Like C@α‐Mo2C Hybrids with Enhanced Energy Storage Properties
Authors: Hu Fang , Liu Zhiming , Yue Chuang , Xiang Juan , Song Taeseup 
Published: July 2018

AbstractA unique flower‐like nanocomposite composed of molybdenum carbide (α‐Mo2C) nanodots embedded in carbon nanosheets has been successfully constructed by calcining an organic‐inorganic hybrid (C@α‐Mo2C), flower‐like nanocomposite based on a reaction between MoOx and dopamine. This novel hierarchical structure offers sufficient contact area with the electrolyte, short diffusion pathways for lithium (sodium) ions and electrons (2‐dimensional (2‐D) nanosheets and 0‐dimensional (0‐D) α‐Mo2C nanodots), and a carbon matrix for good conductivity and structural stability. Benefiting from these structural merits, the C@α‐Mo2C hybrid shows excellent electrochemical performance in both LIBs and SIBs. Moreover, it provides an effective strategy to construct hierarchical structures for molybdenum‐based electrode materials with improved electrochemical performance in energy storage devices.
A New Metallic Porous Carbon Phase tP‐C12 with an sp2‐sp3 Bonding Network: A First‐Principle Calculation
Authors: Xu Yanheng , Hu Menglei , Wang Ziao , Liang Jiechun , Li Jiagen , Zhu Xi , Wang Min 
Published: July 2018

AbstractA new carbon porous allotrope is investigated by the first principle calculations. The allotrope consists of 12 atoms in a tetragonal cell and displays a
symmetry (termed as tP−C12 carbon) with a mass density of 2.18 g/cm3. Its phonon dispersion possessing no imaginary frequency indicates that tP−C12 is dynamically stable. Furthermore, its elastic constants also demonstrate the mechanical stability. Its bulk modulus is 181 GPa. The electronic band structure reveals that it is a metallic phase. X‐ray diffraction patterns and Raman spectra are also theoretically calculated to provide more characterizations for future experimental observations. Due to its porous and metallic properties, this new carbon allotrope may possess hydrogen storage and catalysis application.
An Electrochemical Sensor Based on an Ionic Liquid Covalently Functionalized Graphene Oxide for Simultaneous Determination of Copper (II) and Antimony (III)
Authors: Tian Xia , Tan Zhengwei , Zhang Zaizhen , Zhan Tianrong , Liu Xien 
Published: July 2018

AbstractGraphene oxide (GO) was chemically grafted by ionic liquid (IL) containing amino groups for preparation of IL covalently functionalized GO (IL–CFGO). SEM, FTIR and XRD results confirmed that IL had been successfully anchored on GO surface, resulting in more active sites and higher conductivity. The IL–CFGO composite was coated on the surface of carbon IL electrode (CILE) to construct electrochemical sensor for simultaneous detection of Cu(II) and Sb(III). The experimental factors including pH, deposition time and potential were optimized. Differential pulse voltammetry was employed for the simultaneous determination of Cu(II) and Sb(III) under the optimal conditions. The IL–CFGO/CILE exhibited the wide linear ranges of 0.1∼28 μM for Cu(II) and 0.1∼20 μM for Sb(III) with detection limits of 0.04 and 0.06 μM, respectively. The proposed sensor displayed good reproducibility, selectivity and acceptable stability owing to the contributions of the more active sites and the enhanced conductivity.
[3+2] Cycloaddition Reaction of C‐Phenyl‐N‐methyl Nitrone to Acyclic‐Olefin‐Bearing Electron‐Donating Substituent: A Molecular Electron Density Theory Study
Authors: Domingo Luis R. , Acharjee Nivedita 
Published: July 2018

AbstractThe [3+2] cycloaddition (32CA) reactions of C‐phenyl‐N‐methyl nitrone to acyclic olefins bearing electron donating and weak electron withdrawing groups lead to complete ortho regioselectivity. The experimentally observed ortho selectivity can be rationalized from the activation energies of the located transition states at DFT/MPW1PW91/6‐311G(d,p) level of theory. The reaction of this nitrone to ethyl vinyl ether is predicted to be non‐polar by global electron density transfer (GEDT) calculations. Bonding evolution theory (BET) study led to topological characterization of the reaction pathway into different phases and indicated initial rupture of the olefinic double bond followed by the formation of pseudoradical centres and earlier formation of C−C bond. Quantum theory of atoms in molecules (QTAIM) study of electron density was performed for (3,–1) critical points at the region near the forming C−C and C−O bonds and was found to be in complete agreement with the Electron localization function (ELF) topological analysis. Electrostatic potential surface study for the transition states indicated greater mutual penetration distances of C−C forming bond compared to the C−O forming bond.
SERS of Trititanate Nanotubes: Selective Enhancement of Catechol Compounds
Authors: Liu Ruochen , Morris Edmund , Cheng Xiaorong , Amigues Eric , Lau Kim , Kim Baekman , Liu Yuanhang , Ke Zhipeng , Ashbrook Sharon E. , Bühl Michael , Dawson Graham 
Published: July 2018

AbstractThe surface enhanced Raman scattering of trititanate nanotubes (TiNT) modified with enediol ligands was investigated and it was found that the functional group dramatically affects the enhancement observed. For TiNT‐4‐nitrocatechol, a SERS enhancement is seen; however, when dopamine is attached, no signal is seen. The relative band gap positions upon 785 nm laser excitation are proposed to explain the observed phenomenon. This attachment is investigated by solid state NMR and UV/Vis spectroscopy and supported by DFT calculations to offers further insights into catechol coatings of nanomaterials and SERS by the chemical method. We expect this non noble metal containing composite material to have applications in bioimaging and bio and chemical detection.
Novel Photo‐ and Thermo‐Responsive Host‐Guest Compounds Derived from Ethyl Viologen Cations
Authors: Liu Jinjian 
Published: July 2018

AbstractThe self‐assembly reaction of TM(NO3)2 (TM=Co, Ni), benzenedicarboxylic acid (H2BDC), and ethyl viologen cations leads to two novel host‐guest compounds (EV)[Co(H2O)6](p‐BDC)2⋅4H2O (1) and {(EV)[Ni3(m‐BDC)4]}n (2), (p‐H2BDC=1,4‐benzenedicarboxylic acid, m‐H2BDC=1,3‐benzenedicarboxylic acid, EV2+=1,1’‐bis(ethyl)‐4,4’‐bipyridinium dication). Compound 1 is a host‐guest supramolecule consisting of one EV2+ cation, one [Co(H2O)6]2+ cation, two uncoordinated deprotonated p‐BDC2− anions and four free H2O molecules, which exhibits electron‐transfer (ET) photochromism and thermochromism through dehydration and rehydration. Furthermore, 1 can exhibit a secondary ET photochromism after thermal stimuli. Compound 2 is constructed by the combination of ethyl viologen guest molecule and a highly stable [Ni3(m‐BDC)4]n host MOF, displaying both photo‐ and thermo‐induced electron transfer reaction. The different packing modes of the donor and acceptor blocks between 1 and 2 lead to the different chromic properties.
Structural Elucidation of Covalent Organic Polymers (COP) and Their Linker Effect on Gas Adsorption Performance via Density Functional Theory Approach
Authors: Aparicio Santiago , Yavuz Cafer T. , Atilhan Mert 
Published: July 2018

AbstractInvestigation of the binding affinity gases on porous adsorbents are important for establishing understanding of effective carbon dioxide adsorption and design target specific sorbents for capturing hazardous gases for environmental protection and fuel upgrading. A Density Functional Theory (DFT) study that highlights the impact of covalent organic polymer (COP) design has been conducted to explain the molecular and electronic structure, investigate the interaction sites and elucidate the experimental findings on carbon dioxide (CO2) and nitrogen (N2) sorption on these porous structures. DFT calculations were used to infer the details of the type and the strength of the polymer – gas interaction modes at various interaction sites as well as to quantify short‐range interactions between the polymer – gas via topological characteristics analysis of intermolecular forces. Results obtained in this study were used to shed light on CO2and N2affinity of the studied polymer structures; interpretations regarding to the macroscopic behaviors were discussed and conclusions were attained on the characteristics of the adsorption type and mechanism.
Porous Gold Nanoshells on Functional NH2‐MOFs: Facile Synthesis and Designable Platforms for Cancer Multiple Therapy
Authors: Liu Chuang , Luo Lijia , Zeng Leyong , Xing Jie , Xia Yuanzhi , Sun Shan , Zhang Luyun , Yu Zhe , Yao Junlie , Yu Zhangsen , Akakuru Ozioma Udochukwu , Saeed Madiha , Wu Aiguo 
Published: July 2018

AbstractAuroShell nanoparticles (sealed gold nanoshell on silica) are the only inorganic materials that are approved for clinical trial for photothermal ablation of solid tumors. Based on that, porous gold nanoshell structures are thus critical for cancer multiple theranostics in the future owing to their inherent cargo‐loading ability. Nevertheless, adjusting the diverse experimental parameters of the reported procedures to obtain porous gold nanoshell structures is challenging. Herein, a series of amino‐functionalized porous metal–organic frameworks (NH2‐MOFs) nanoparticles are uncovered as superior templates for porous gold nanoshell deposition (NH2‐MOFs@Aushell) by means of a more facile and general one‐step method, which combines the enriched functionalities of NH2‐MOFs with those of porous gold nanoshells. Moreover, in order to illustrate the promising applications of this method in biomedicine, platinum nanozymes‐encapsulated NH2‐MOFs are further designed with porous gold nanoshell coating and photosensitizer chlorin e6 (Ce6)‐loaded nanoparticles with continuous O2‐evolving ability (Pt@UiO‐66‐NH2@Aushell‐Ce6). The combination of photodynamic and photothermal therapy is then carried out both in vitro and in vivo, achieving excellent synergistic therapeutic outcomes. Therefore, this work not only presents a facile strategy to fabricate functionalized porous gold nanoshell structures, but also illustrates an excellent synergistic tumor therapy strategy.
Nanostructured Copper‐Based Electrocatalysts for CO2 Reduction
Authors: Gu Zhengxiang , Shen Hao , Shang Longmei , Lv Ximeng , Qian Linping , Zheng Gengfeng 
Published: July 2018

AbstractThe continuous increase of CO2 concentration in the atmosphere has been imposing an imminent threat for global climate change and environmental hazards. In recent years, the electrochemical or photochemical conversion of CO2 into value‐added chemicals or fuels has received significant attention, as it may enable an attractive means to mitigate the atmospheric CO2 concentration and complete the imbalanced carbon‐neutral energy cycle, as well as create renewable energy resources for human use. Among the different electrocatalysts being studied, Cu‐based materials have been demonstrated as the only category of candidates that allows the conversion of CO2 into a variety of reducing products, including carbon monoxide, hydrocarbons, and alcohols. Herein, the reaction pathways for different Cu‐based catalysts for C1 and C2+ products are introduced. Then, different parameters in tuning Cu‐based electrocatalysts are summarized and discussed, including the morphologies, compositions, crystal facets, and oxide derivation. In addition, various types of parameters for CO2 electroreduction are also described, particularly the option of electrolytes such as aqueous, ionic liquids, and organic solutions. Finally, the current challenges are discussed and the potential strategies to facilitate the future development of CO2 electroreduction are summarized.
Trophic Ecology of Lahontan Cutthroat Trout: Historical Predator–Prey Interaction Supports Native Apex Predator in a Unique Desert Lake
Authors: Heredia Nicholas A. , Budy Phaedra 
Published: July 2018

AbstractPyramid Lake, Nevada, remains one of the last strongholds for lacustrine‐strain Lahontan Cutthroat Trout Oncorhynchus clarkii henshawi (LCT) following historical declines throughout their native range. Historically the apex predator in this aquatic ecosystem, LCT in Pyramid Lake are now entirely dependent on hatchery programs and are potentially threatened by the introduction of a nonnative piscivore. The purpose of this study was to identify strong food web interactions and potential trophic limitations to the LCT population. Our specific objectives were to estimate seasonal foraging patterns, trophic position (TP), trophic niche space, diet composition, and seasonal depth distributions of LCT relative to prey fish. Additionally, we evaluated the potential for competition between LCT and nonnative, piscivorous Sacramento Perch Archoplites interruptus by examining diet overlap and trophic niche space. Our results indicate that LCT are apex predators, with TP (large [>400 mm TL] LCT: TP [mean ± 1.96·SE] = 4.30 ± 0.04) and diet composition indicating high rates of piscivory (average annual rate of piscivory = 77.1% for large LCT) throughout the year. Small (200–400 mm TL) LCT exhibited weak dietary overlap (Schoener's index = 0.55) and large LCT exhibited strong overlap (Schoener's index = 0.72) with Sacramento Perch. These trends were present despite seasonal changes in distribution and catch of Tui Chub Siphateles bicolor, the primary prey of LCT. Analysis of isotopic niche space also indicated strong overlap between the trophic niche of large LCT (89%) and that of Sacramento Perch; however, overall catch rates of Sacramento Perch were low. Despite the presence of a potential nonnative competitor, LCT demonstrate high rates of piscivory and are not negatively influenced by Sacramento Perch. Overall, these results demonstrate how trophic niche ecology can be used to evaluate key food web interactions in anthropogenically altered ecosystems.
Data, concepts and methods for large‐n comparative climate change adaptation policy research: A systematic literature review
Authors: Biesbroek Robbert , Berrang‐Ford Lea , Ford James D. , Tanabe Andrew , Austin Stephanie E. , Lesnikowski Alexandra 
Published: July 2018

Climate change adaptation research is dominated by in‐depth, qualitative, single‐ or small‐n case studies that have resulted in rich and in‐depth understanding on adaptation processes and decision making in specific locations. Recently, the number of comparative adaptation policy cases has increased, focusing on examining, describing, and/or explaining how countries, regions, and vulnerable groups are adapting across a larger sample of contexts and over time. There are, however, critical empirical, conceptual and methodological choices and challenges for comparative adaptation research. This article systematically captures and assesses the current state of larger‐n (n ≥ 20 cases) comparative adaptation policy literature. We systematically analyze 72 peer‐reviewed articles to identify the key choices and challenges authors face when conducting their research. We find among others that almost all studies use nonprobability sampling methods, few existing comparative adaptation datasets exist, most studies use easy accessible data which might not be most appropriate for the research question, many struggle to disentangle rhetoric from reality in adaptation, and very few studies engage in critical reflection of their conceptual, data and methodological choices and the implications for their findings. We conclude that efforts to increase data availability and use of more rigorous methodologies are necessary to advance comparative adaptation research.This article is categorized under:

Vulnerability and Adaptation to Climate Change > Learning from Cases and Analogies
Portal Vein Embolization: Correlation of Future Liver Remnant Hypertrophy to Type of Embolic Agent Used
Authors: Dhaliwal Surinder K. , Annamalai Ganesan , Gafoor Nelofer , Pugash Robyn , Dey Chris , David Elizabeth Nishani 
Published: July 2018

Purpose The purpose of this study was to compare the effectiveness of portal vein embolization (PVE) with different embolic agents used at our centre. Specifically, the effectiveness of N-butyl cyanoacrylate (NBCA) glue is compared with that of polyvinyl alcohol (PVA) particles. Methods We performed a retrospective chart review of all patients (N = 77) who underwent PVE at our institution over a 5-year period. Pre- and postprocedural computed tomography or magnetic resonance imaging, when available, were used to measure the volume of total liver volume and future liver remnant (FLR). The absolute values obtained were used to calculate percentage of FLR. The growth in FLR was determined 4–6 weeks after PVE. Technical details of the procedure including the type and amount of embolic agent used were obtained from the chart reviews, electronic patient records, and radiology reports. Statistical analysis was performed using Kruskal-Wallis test, Wilcoxon rank sum test, and the Spearman correlation coefficient with post hoc analysis. Results are expressed as mean ± SD ( P < .05 considered statistically significant). Results NBCA (n = 29) produced a mean change in FLR of 14.8% compared with 9.3% for PVA particles (n = 24; P = .007). Mean change in FLR was 10.1% in the group where a combination of NBCA and PVA particles was used (n = 24). The effect of glue volume and glue-to-lipiodol ratio on the outcome was not found to be statistically significant ( P = .5 and .7, respectively). Conclusions We conclude that NBCA glue is a better embolic agent than PVA particles in inducing liver hypertrophy.