bluuebunny/crossref_metadata_2025_split huggingface dataset:
An Omni‐healable and Tailorable Aqueous Lithium‐Ion Battery
Authors: Hao Zhaohan , Tao Feng , Wang Zhikui , Cui Ximing , Pan Qinmin 
Published: November 2017

AbstractReliability and safety are critical issues for portable power sources aiming for next‐generation electronics. However, most lithium‐ion batteries (LIBs) will fail to work or will cause safety problems after physical damage or violent deformation. Here, an omni‐healable aqueous LIB, which can self‐repair its electrodes and electrolyte simultaneously after mechanical breakage, is fabricated by integrating all of the electroactive components into polymer networks cross‐linked by dynamic borate ester bonding. Once suffering from repeated cutoffs, the battery quickly recovers its configuration integrity as well as mechanical and electrochemical properties autonomously without external stimuli. Furthermore, the battery can also be tailored into complicated patterns while maintaining its lithium‐storage properties. The present investigation offers a strategy to design a smart and sustainable energy‐storage device that has potential applications in wearable/flexible electronics, flexible robot or intelligent apparel, and so on.
Characterization at the Level of Individual Crystals: Single‐Crystal MFI Type Zeolite Grains
Authors: Gruene Tim , Li Teng , van Genderen Eric , Pinar Ana B. , van Bokhoven Jeroen A. 
Published: November 2017

AbstractElectron‐diffraction data on the zeolites Silicalite‐1 and ZSM‐5 (both MFI framework type) were collected from individual grains of about 150×100×50 nm3. Crystals were synthesized with tetrapropylammonium as structure‐directing agent. The resolution extended to about 0.8 Å for Silicalite‐1 and about 0.9–1.0 Å for ZSM‐5 crystals. Analysis of several data sets showed that at the nanometre‐scale, these zeolite crystals are single crystals and not intergrown.
On the Structure and Reaction Mechanism of Human Acireductone Dioxygenase
Authors: Miłaczewska Anna , Kot Ewa , Amaya José A. , Makris Thomas M. , Zając Marcin , Korecki Józef , Chumakov Aleksandr , Trzewik Bartosz , Kędracka‐Krok Sylwia , Minor Władek , Chruszcz Maksymilian , Borowski Tomasz 
Published: November 2017

AbstractAcireductone dioxygenase (ARD) is an intriguing enzyme from the methionine salvage pathway that is capable of catalysing two different oxidation reactions with the same substrate depending on the type of the metal ion in the active site. To date, the structural information regarding the ARD–acireductone complex is limited and possible reaction mechanisms are still under debate. The results of joint experimental and computational studies undertaken to advance knowledge about ARD are reported. The crystal structure of an ARD from Homo sapiens was determined with selenomethionine. EPR spectroscopy suggested that binding acireductone triggers one protein residue to dissociate from Fe2+, which allows NO (and presumably O2) to bind directly to the metal. Mössbauer spectroscopic data (interpreted with the aid of DFT calculations) was consistent with bidentate binding of acireductone to Fe2+ and concomitant dissociation of His88 from the metal. Major features of Fe vibrational spectra obtained for the native enzyme and upon addition of acireductone were reproduced by QM/MM calculations for the proposed models. A computational (QM/MM) study of the reaction mechanisms suggests that Fe2+ promotes O−O bond homolysis, which elicits cleavage of the C1−C2 bond of the substrate. Higher M3+/M2+ redox potentials of other divalent metals do not support this pathway, and instead the reaction proceeds similarly to the key reaction step in the quercetin 2,3‐dioxygenase mechanism.
Tunability of Open‐Shell Character, Charge Asymmetry, and Third‐Order Nonlinear Optical Properties of Covalently Linked (Hetero)Phenalenyl Dimers
Authors: Minamida Yuka , Kishi Ryohei , Fukuda Kotaro , Matsui Hiroshi , Takamuku Shota , Yamane Masaki , Tonami Takayoshi , Nakano Masayoshi 
Published: November 2017

AbstractTunability of the open‐shell character, charge asymmetry, and third‐order nonlinear optical (NLO) properties of covalently linked (hetero)phenalenyl dimers are investigated by using the density functional theory method. By changing the molecular species X and substitution position (i, j) for the linker part, a variety of intermonomer distances R and relative alignments between the phenalenyl dimers can be realized from the geometry optimizations, resulting in a wide‐range tuning of diradical character y and charge asymmetry. It is found that the static second hyperpolarizabilities along the stacking direction, γyyyy, are one‐order enhanced for phenalenyl dimer systems exhibiting intermediate y, a feature that is in good agreement with the “y–γ correlation”. By replacing the central carbon atoms of the phenalenyl rings with a boron or a nitrogen, we have also designed covalently linked heterophenalenyl dimers. The introduction of such a charge asymmetry to the open‐shell systems, which leads to closed‐shell ionic ground states, is found to further enhance the γyyyy values of the systems having longer intermonomer distance R with intermediate ionic character, that is, charge asymmetry. The present results demonstrate a promising potential of covalently linked NLO dimers with intermediate open‐shell/ionic characters as a new building block of highly efficient NLO systems.
Humidity‐Responsive ON/OFF Switching of Gas Inclusion by Using Cooperative Opening/Closing of Heterogeneous Crystalline Cavities in a Peptide NiII Macrocycle
Authors: Miyake Ryosuke , Kuwata Chika , Ueno Manami , Yamada Teppei 
Published: November 2017

AbstractHumidity‐responsive ON/OFF switching of CO2 inclusion, associated with cooperative structural changes of heterogeneous cavities in crystalline peptide NiII macrocycles, 1⋅NO3, is demonstrated. The structural transformation between an “open form” and a “closed form” was caused by reversible water uptake into one of the cavities. The adsorption behavior of CO2 was studied with and without water vapor, combined with gas‐composition analysis by using gas chromatography. The studies revealed that the open form of 1⋅NO3 adsorbs CO2 gas up to 34 g mol−1, whereas the closed form adsorbs only a negligible amount of CO2 gas. Also, structural studies (X‐ray and IR spectroscopies) and investigation of water‐content dependence of CO2 adsorption revealed that the switching of gas inclusion occurred abruptly over a narrow range of water‐vapor pressure and was caused by the cooperative opening of vacant space to give the open form due to the structural transformation by water uptake.
Solid‐State Structure of Tris‐Cyclopentadienide Uranium(III) and Plutonium(III)
Authors: Apostolidis Christos , Dutkiewicz Michał S. , Kovács Attila , Walter Olaf 
Published: November 2017

AbstractThe organometallic tris‐cyclopentadienide actinide(III) (AnCp3) complexes were first reported about 50 years ago. However, up until now, only the NpCp3 solid state structure has been studied. Here we report on the solid state structures of UCp3 and PuCp3 which are isostructural to the Np analogue. The structural models are supported by theoretical calculations and compared to their lanthanide analogues. The observed trends in changes of bond lengths might be indicator for an increased covalency in the bonding in the tris‐cyclopentadienide actinide(III) complexes (AnCp3) compared to their lanthanide homologues.
A Redox‐Active Bis(ferrocenyl)germylene and Its Reactivity
Authors: Suzuki Yuko , Sasamori Takahiro , Guo Jing‐Dong , Tokitoh Norihiro 
Published: November 2017

AbstractBis(ferrocenyl)germylene Fc*2Ge: [2; Fc*=2,5‐bis(3,5‐di‐tert‐butylphenyl)‐1‐ferrocenyl] was isolated in the form of red crystals from the reaction of the sterically demanding ferrocenyl lithium dimer (Fc*Li)2 and GeI2. Bis(ferrocenyl)germylene 2 exhibits extraordinary thermal stability in hydrocarbon solution and the solid state, as well as stable redox behavior. Moreover, it undergoes a ligand‐redistribution reaction with GeCl2⋅(dioxane) to afford the corresponding chlorogermylene, which was isolated upon coordination with PBu3.
Single‐Dose Bioequivalence of Two Mini Nicotine Lozenge Formulations
Authors: Rasmussen Scott C. , Becker William D. , Shanga Gilbert M. 
Published: November 2017

AbstractDiverse nicotine replacement therapy options may improve consumer usage. This study was conducted to establish the bioequivalence of a new cherry‐flavored mini lozenge with that of a currently marketed mint‐flavored mini lozenge. The rate (Cmax) and extent (AUC0–t) of plasma nicotine absorption were compared after administration of 2‐ and 4‐mg doses of each lozenge in healthy adult smokers (n = 43). The bioequivalence of each respective dose was established based on the 90% confidence interval for the ratio of geometric means for both Cmax and AUC0–t lying within the range of 0.80 to 1.25. Adverse‐event profiles were similar between formulations.
Artificial Photosynthesis: Learning from Nature
Authors: Whang Dong Ryeol , Apaydin Dogukan Hazar 
Published: November 2017

AbstractArtificial photosynthesis has been devised and investigated in pursuit of solving the 21st century's energy problem. Despite significant advances in recent decades, applying the technology in real life is still a challenging subject for scientists. As the term “artificial photosynthesis” stems from mimicking natural photosynthesis, we can learn from nature's strategies which have evolved over 3.4 billion years. This Review highlights important strategies of natural photosynthesis which can be borrowed for highly efficient and robust artificial photosystems for solar fuel production. Starting with a brief description of photosystem II in natural photosynthetic autotrophs, three relevant bioinspired strategies are discussed in this article: i) accumulative charge transfer, ii) photoprotection, and iii) self‐healing. Next, development of artificial photosystems mimicking those strategies will be discussed. Finally, remaining challenges and perspectives for future development of artificial photosynthesis are described.
Bismuth Vanadate Photoelectrodes with High Photovoltage as Photoanode and Photocathode in Photoelectrochemical Cells for Water Splitting
Authors: dos Santos Wayler S. , Rodriguez Mariandry , Khoury Júlia M. O. , Nascimento Luíza A. , Ribeiro Rebecca J. P. , Mesquita João P. , Silva Adilson C. , Nogueira Francisco G. E. , Pereira Márcio C. 
Published: November 2017

AbstractUsing dual‐photoelectrode photoelectrochemical (PEC) devices based on earth‐abundant metal oxides for unbiased water splitting is an attractive means of producing green H2 fuel, but is challenging, owing to low photovoltages generated by PEC cells. This problem can be solved by coupling n‐type BiVO4 with n‐type Bi4V2O11 to create a virtual p/n junction due to the formation of a hole‐inversion layer at the semiconductor interface. Thus, photoelectrodes with high photovoltage outputs were synthesized. The photoelectrodes exhibited features of p‐ and n‐type semiconductors when illuminated under an applied bias, suggesting their use as photoanode and photocathode in a dual‐photoelectrode PEC cell. This concept was proved by connecting a 1 mol % W‐doped BiVO4/Bi4V2O11 photoanode with an undoped BiVO4/Bi4V2O11 photocathode, which produced a high photovoltage of 1.54 V, sufficient to drive stand‐alone water splitting with 0.95 % efficiency.
On the mobile‐to‐mobile linear time‐variant shallow‐water acoustic channel response
Authors: Sauco‐Gallardo Adrián , Fernández‐Plazaola Unai , Díez Luis 
Published: November 2017

SummaryWe expose some concepts concerning the channel impulse response (CIR) of linear time‐varying (LTV) channels to give a proper characterization of the mobile‐to‐mobile underwater channel. We find different connections between the linear time‐invariant (LTI) CIR of the static channel and 2 definitions of LTV CIRs of the dynamic mobile‐to‐mobile channel. These connections are useful to design a dynamic channel simulator from the static channel models available in the literature. Such feature is particularly interesting for overspread channels, which are hard to characterize by a measuring campaign. Specifically, the shallow water acoustic (SWA) channel is potentially overspread because of the signal low velocity of propagation, which prompts long delay spread responses and great Doppler effect. Furthermore, from these connections between the LTI static CIRs and the LTV dynamic CIRs, we find that the SWA mobile‐to‐mobile CIR does not only depend on the relative speed between transceivers, but also on the absolute speed of each of them referred to the velocity of propagation. Nevertheless, publications about this topic do not consider it and formulate their equations in terms of the relative speed between transceivers. We illustrate our find using 2 couples of examples where, even though the relative speed between the mobiles is the same, their CIRs are not.
Does noninvasive follicular thyroid neoplasm with papillary‐like nuclear features have distinctive features on sonography?
Authors: Brandler Tamar C. , Yee Joseph , Zhou Fang , Cho Margaret , Cangiarella Joan , Wei Xiao‐Jun , Yee‐Chang Melissa , Sun Wei 
Published: November 2017

AbstractBackgroundThe noninvasive encapsulated follicular variant of papillary carcinoma (nEFVPTC) has recently been reclassified to “noninvasive follicular thyroid neoplasm with papillary‐like nuclear features (NIFTP),” removing this entity from the malignant category. This re‐categorization has had major implications for clinical management. NIFTP has overlapping cytohistologic features with papillary thyroid carcinoma (PTC) and with follicular adenomas (FA), but sonographic data comparing NIFTP to PTC and FA is lacking. Our study examines the sonographic features of NIFTP as compared with PTC and FA.MethodsUltrasound scans and Doppler blood flow from subjects who had pre‐surgical sonograms and fine needle aspiration biopsies with final surgical pathology diagnoses of NIFTP/nEFVPTC, classical PTC, and FA between 01/2013‐08/2016 were assessed. Sonographic and Doppler features as well as Bethesda System (TBS) diagnoses were recorded and analyzed.Results40 NIFTP, 58 classical PTC, and 23 FA cases were included. The most common NIFTP pre‐surgical TBS cytology diagnosis was Atypia of Undetermined Significance (AUS/FLUS) (40%). NIFTP cases predominantly displayed wider‐than‐tall shape (100%), smooth borders (75%), occurrence in multinodular glands (82.5%), heterogeneous echogenicity (50%), both perinodular and intranodular Doppler flow patterns (70%), minimal Doppler flow grade (62.5%), and no calcifications (90%).ConclusionsOur study demonstrates that NIFTP, PTC, and FA display several distinguishing and overlapping sonographic and Doppler features. Sonographic features appear to complement cytology findings and may help raise pre‐operative concern for NIFTP in the proper clinical setting, potentially leading to a more conservative management approach.
Ankle muscle tenotomy does not alter ankle flexor muscle recruitment bias during locomotor‐related repetitive limb movement in late‐stage chick embryos
Authors: Sun Soo Yeon , Baker Lucinda L. , Bradley Nina S. 
Published: November 2017

AbstractIn ovo, late‐stage chick embryos repetitively step spontaneously, a locomotor‐related behavior also identified as repetitive limb movement (RLM). During RLMs, there is a flexor bias in recruitment and drive of leg muscle activity. The flexor biased activity occurs as embryos assume an extremely flexed posture in a spatially restrictive environment 2–3 days before hatching. We hypothesized that muscle afferent feedback under normal mechanical constraint is a significant input to the flexor bias observed during RLMs on embryonic day (E) 20. To test this hypothesis, muscle afference was altered either by performing a tenotomy of ankle muscles or removing the shell wall restricting leg movement at E20. Results indicated that neither ankle muscle tenotomy nor unilateral release of limb constraint by shell removal altered parameters indicative of flexor bias. We conclude that ankle muscle afference is not essential to ankle flexor bias characteristic of RLMs under normal postural conditions at E20.
Leaf trait variations associated with habitat affinity of tropical karst tree species
Authors: Geekiyanage Nalaka , Goodale Uromi Manage , Cao Kunfang , Kitajima Kaoru 
Published: November 2017

AbstractKarst hills, that is, jagged topography created by dissolution of limestone and other soluble rocks, are distributed extensively in tropical forest regions, including southern parts of China. They are characterized by a sharp mosaic of water and nutrient availability, from exposed hilltops with poor soil development to valleys with occasional flooding, to which trees show species‐specific distributions. Here we report the relationship of leaf functional traits to habitat preference of tropical karst trees. We described leaf traits of 19 tropical tree species in a seasonal karst rainforest in Guangxi Province, China, 12 species in situ and 13 ex situ in a non‐karst arboretum, which served as a common garden, with six species sampled in both. We examined how the measured leaf traits differed in relation to species’ habitat affinity and evaluated trait consistency between natural habitats vs. the arboretum. Leaf mass per area (LMA) and optical traits (light absorption and reflectance characteristics between 400 and 1,050 nm) showed significant associations with each other and habitats, with hilltop species showing high values of LMA and low values of photochemical reflectance index (PRI). For the six species sampled in both the karst forest and the arboretum, LMA, leaf dry matter content, stomatal density, and vein length per area showed inconsistent within‐species variations, whereas some traits (stomatal pore index and lamina thickness) were similar between the two sites. In conclusion, trees specialized in exposed karst hilltops with little soils are characterized by thick leaves with high tissue density indicative of conservative resources use, and this trait syndrome could potentially be sensed remotely with PRI.
Effects of social information on life history and mating tactics of males in the orb‐web spider Argiope bruennichi
Authors: Cory Anna‐Lena , Schneider Jutta M. 
Published: November 2017

AbstractInformed mating decisions are often based on social cues providing information about prospective mating opportunities. Social information early in life can trigger developmental modifications and influence later mating decisions. A high adaptive value of such adjustments is particularly obvious in systems where potential mating rates are extremely limited and have to be carried out in a short time window. Males of the sexually cannibalistic spider Argiope bruennichi can achieve maximally two copulations which they can use for one (monogyny) or two females (bigyny). The choice between these male mating tactics should rely on female availability that males might assess through volatile sex pheromones emitted by virgin females. We predict that in response to those female cues, males of A. bruennichi should mature earlier and at a smaller body size and favor a bigynous mating tactic in comparison with controls. We sampled spiders from two areas close to the Southern and Northern species range to account for differences in mate quality and seasonality. In a fully factorial design, half of the subadult males from both areas obtained silk cues of females, while the other half remained without female exposure. Adult males were subjected to no‐choice mating tests and could either monopolize the female or leave her (bigyny). We found that Southern males matured later and at a larger size than Northern males. Regardless of their origin, males also shortened the subadult stage in response to female cues, which, however, had no effects on male body mass. Contrary to our prediction, the frequencies of mating tactics were unaffected by the treatment. We conclude that while social cues during late development elicit adaptive life history adjustments, they are less important for the adjustment of mating decisions. We suggest that male tactics mostly rely on local information at the time of mate search.
Does transpiration from invasive stream side willows dominate low‐flow conditions? An investigation using hydrometric and isotopic methods in a headwater catchment
Authors: Marttila H. , Dudley B.D. , Graham S. , Srinivasan M.S. 
Published: November 2017

AbstractUnderstanding seasonal partitioning of water in riparian areas is important for assessing how vegetation affects water resources. A combined hydrological‐isotopic field study was conducted within a headwater catchment to explore the dynamics of stream discharge and the effect of riparian evapotranspiration on summer low‐flow conditions. In addition to collection of meteorological data and depth to unconfined groundwater, streamflows were measured at three locations along the length of the river. Isotope ratios of local precipitation, stream water, groundwater, and willow xylem water were used to estimate pathways and sources of water used by vegetation. Using meteorological variables, leaf area index and stand area measurements, willow transpiration was estimated using the Penman–Monteith method. Combining the data from hydrometric, isotope, and vegetation evapotranspiration analysis revealed that water abstraction by stream‐side willows peaked to 5.6 mm/day and had a distinct impact on summer low‐flow conditions and patterns of stream discharge at the daily time scale. Average annual willow transpiration was 270 mm, whereas average annual precipitation during the study period was 1067 mm. However, willow transpiration reduced streamflow and altered water budgets most strongly during critical summer low‐flow periods. Our analysis of transit times, young water fraction, and depth to groundwater water data showed Waipara headwater areas have limited water storage capacity, making them vulnerable to annual variations in precipitation and any other changes in water usage. Removal of streamside willows could potentially influence water balance during summer months when flows tend to be the lowest.
Straight to heaven: Rectitude as spatial representation of morality
Authors: Pacilli Maria Giuseppina , Pagliaro Stefano , Spaccatini Federica , Giovannelli Ilaria , Sacchi Simona , Brambilla Marco 
Published: November 2017

AbstractAbundant literature in cognitive sciences has shown that morality is grounded in bodily experience. Four studies tested the perceptual association between the spatial dimension of straightness and the abstract concept of morality. Study 1 (n = 61) employed an IAT and revealed an association between straight figures and moral related words. Study 2 (n = 83) employed a similar paradigm and further revealed that the effect we found in Study 1 cannot be attributable to the general association between straight figures and positivity. Study 3 (n = 64) revealed that participants showed a stronger preference for straight figures after recalling moral (vs. immoral) deeds. Study 4 (n = 183) showed the specific role of morality, in this sense, as recalling sociable (vs. unsociable) deeds had no significant influence on figure preferences. A small‐scale meta‐analysis confirmed the robustness of our findings. Results are discussed in light of the embodiment theory.