bluuebunny/crossref_metadata_2025_split huggingface dataset:
Continuous One‐Step Synthesis of Porous M‐XF6‐Based Metal‐Organic and Hydrogen‐Bonded Frameworks
Authors: Guillerm Vincent , Garzón‐Tovar Luis , Yazdi Amirali , Imaz Inhar , Juanhuix Jordi , Maspoch Daniel 
Published: March 2017

AbstractMetal‐organic frameworks (MOFs) built up from connecting M‐XF6 pillars through N‐donor ligands are among the most attractive adsorbents and separating agents for CO2 and hydrocarbons today. The continuous, one‐step spray‐drying synthesis of several members of this isoreticular MOF family varying the anionic pillar (XF6=[SiF6]2− and [TiF6]2−), the N‐donor organic ligand (pyrazine and 4,4′‐bipyridine) and the metal ion (M=Co, Cu and Zn) is demonstrated here. This synthetic method allows them to be obtained in the form of spherical superstructures assembled from nanosized crystals. As confirmed by CO2 and N2 sorption studies, most of the M‐XF6‐based MOFs synthesised through spray‐drying can be considered “ready‐to‐use” sorbents as they do not need additional purification and time consuming solvent exchange steps to show comparable porosity and sorption properties with the bulk/single‐crystal analogues. Stability tests of nanosized M‐SiF6‐based MOFs confirm their low stability in most solvents, including water and DMF, highlighting the importance of protecting them once synthesised. Finally, for the first time it was shown that the spray‐drying method can also be used to assemble hydrogen‐bonded open networks, as evidenced by the synthesis of MPM‐1‐TIFSIX.
Origin of Bistability in the Butyl‐Substituted Spirobiphenalenyl‐Based Neutral Radical Material
Authors: Fumanal Maria , Novoa Juan J. , Ribas‐Arino Jordi 
Published: March 2017

AbstractOne of the most remarkable bistable materials reported so far is made of π dimers of a butyl‐substituted spirobiphenalenyl boron radical (butyl‐SBP). The phase transition of this material, which is accompanied by changes in its optical, conductive, and magnetic properties, occurs with a hysteretic loop 25 K wide centered at 335 K. Herein, a computational study is presented aimed at deciphering the origin of this hysteresis. The phase transition of butyl‐SBP consists of a spin transition of the constituent π dimers coupled with an order–disorder transition involving the butyl chains linked to the nitrogen atoms of the superimposed phenalenyl rings of the π dimer. Below 335 K, the terminal methyl group of the butyl chains adopts a gauche conformation with respect to the methylene unit bonded to the nitrogen atom. Above 335 K, the methyl group is in an anti conformation and exhibits dynamic disorder. The gauche→anti conformational rearrangement triggers the spin transition of the π dimers and is responsible for the hysteretic behavior of butyl‐SBP. Specifically, the onset of the phase transition in the heating mode, and thus, the width of the hysteresis loop, are governed by the high energy cost and strong structural cooperative effects associated with this conformational change. Our results show that coupling a spin switch with a conformational switch in a molecular crystal provides a promising strategy in the design of new bistable materials.
Application of Advanced Exergetic Analysis for the Improvement of Chemical Processes
Authors: Penkuhn Mathias , Tsatsaronis George 
Published: March 2017

AbstractThe exergy concept addresses the synthesis, design, and optimization of processes in which matter and energy are converted. While a conventional exergy analysis identifies the location, magnitude, and causes of thermodynamic inefficiencies within a system, the concept of advanced exergetic analysis provides the opportunity to reveal the structural interdependencies of the system components and to estimate the thermodynamic improvement potential of the most components. The capabilities of an advanced exergetic analysis are demonstrated using the hydrodealkylation process of toluene as an example.
Pyridyl‐ and Picolinic Acid Substituted Zinc(II) Phthalocyanines for Dye‐Sensitized Solar Cells
Authors: Suanzes Pita Juan , Urbani Maxence , Bottari Giovanni , Ince Mine , Kumar Sangeeta Amit , Chandiran Aravind Kumar , Yum Jun‐Ho , Grätzel Michael , Nazeeruddin Mohammad Khaja , Torres Tomas 
Published: March 2017

AbstractA series of tri‐tert‐butyl zinc(II) phthalocyanines (Pcs) substituted with pyridyl, carboxyl, or picolinic acid anchoring groups on the periphery were prepared. Photovoltaic (PV) studies on these dyes were carried out revealing some interesting features. In the case of the pyridyl‐substituted Pcs, the PV properties were found to depend strongly on the the pyridyl substitution pattern (meta or para) and the number of pyridyl units at the macrocycle's periphery (one or two). For these four pyridyl‐substituted Pcs, higher photovoltaic efficiencies were obtained for 1) the para‐ versus the meta‐substituted Pcs, and 2) the mono‐ versus the bis‐functionalized dyes. In order to improve the poor adsorption of the pyridyl‐substituted Pcs onto TiO2, a new dye was tested bearing a picolinic acid unit. This moiety combines a carboxylic acid function, as a strong anchoring group for binding to TiO2, with an electron‐withdrawing nitrogen atom for better electron injection into the semiconductor's conduction band. For this latter system, an improvement in the PV efficiency up to 2.1 % was obtained.
Sn‐ and Pd‐Free Synthesis of D–π–A Organic Sensitizers for Dye‐Sensitized Solar Cells by Cu‐Catalyzed Direct Arylation
Authors: Huang Jiung‐Huai , Lin Po‐Han , Li Wei‐Ming , Lee Kun‐Mu , Liu Ching‐Yuan 
Published: March 2017

Abstract<A variety of D–π–A‐type functional organic dyes are facilely synthesized by direct C−H arylation catalyzed by inexpensive copper salts. Under optimized reaction conditions, a broad substrate scope with good functional group compatibility was demonstrated. Based on this synthetic strategy, three new dye sensitizers (CYL‐5–7) were designed and fabricated for use in dye‐sensitized solar cells (DSSCs). Photovoltaic characterization showed that these devices gave open‐circuit voltages of 0.65–0.75 V, short‐circuit currents of 5.90–12.60 mA cm−2, and fill factors of 65.6–76.9 %, corresponding to power conversion efficiencies (PCEs) of 2.95–6.20 %. This work represents the first use of Cu‐catalyzed C−H arylation for a step‐saving, Sn‐free synthesis of precursor dyes for DSSC applications.
Reporting of fine needle aspiration (FNA) specimens of salivary gland lesions: A comprehensive review
Authors: Wei Shuanzeng , Layfield Lester J. , LiVolsi Virginia A. , Montone Kathleen T. , Baloch Zubair W. 
Published: March 2017

AbstractCurrently, there is no uniform classification scheme available for reporting of salivary gland fine‐needle aspiration (FNA) specimens. Recently, an International group of pathologists has recommended a tiered classification scheme for reporting of salivary gland FNA results known as the “Milan System for Reporting Salivary Gland Cytopathology (MSRSGC).” We performed a comprehensive review of the published literature on FNA of salivary gland lesions by employing the diagnostic categories of the MSRSGC to evaluate their reliability in the management of salivary gland lesions. A comprehensive review of the literature was carried out through PubMed from 1987 to 2015 to identify studies which categorized the cytologic diagnoses and included surgical follow‐up. Only cases with histopathologic follow‐up were included in the analysis. Twenty‐nine studies comprising 4514 cases of salivary gland FNAs with surgical follow‐up were included in this study. The cytologic diagnoses were categorized into the following categories proposed by MSRSGC. The number of cases in each diagnostic category and the risk of malignancy (ROM) were as follows: Non‐Diagnostic—100 cases (ROM‐ 25.0% ± 16.7%), Non‐Neoplastic—587 cases (ROM: 10.2% ± 5.5%), Benign Neoplasm −2673 cases (ROM: 3.4% ± 1.3%), Salivary Gland Neoplasm of Undetermined Malignant Potential (SUMP)—64 cases(ROM: 37.5% ± 24.7%), Suspicious for Malignant neoplasm—70 cases(ROM: 58.6% ± 19.5%), and Malignant—1012 cases(ROM: 91.9% ± 3.5%). A tiered classification scheme as proposed by MSRSGC may prove helpful in effectively guiding clinical management of patients with salivary gland lesions.
Predicting drought tolerance from slope aspect preference in restored plant communities
Authors: Kimball Sarah , E. Lulow Megan , R. Balazs Kathleen , Huxman Travis E. 
Published: March 2017

SummaryPlants employ strategies of tolerance, endurance, and avoidance to cope with aridity in space and time, yet understanding the differential importance of such strategies in determining patterns of abundance across a heterogeneous landscape is a challenge. Are the species abundant in drier microhabitats also better able to survive drought? Are there relationships among occupied sites and temporal dynamics that derive from physiological capacities to cope with stress or dormancy during unfavorable periods? We used a restoration project conducted on two slope aspects in a subwatershed to test whether species that were more abundant on more water‐limited S‐facing slopes were also better able to survive an extreme drought. The attempt to place many species uniformly on different slope aspects provided an excellent opportunity to test questions of growth strategy, niche preference, and temporal dynamics. Perennial species that established and grew best on S‐facing slopes also had greater increases in cover during years of drought, presumably by employing drought tolerance and endurance techniques. The opposite pattern emerged for annual species that employed drought‐escape strategies, such that annuals that occupied S‐facing slopes were less abundant during the drought than those that were more abundant on N‐facing slopes. Our results clarify how different functional strategies interact with spatial and temporal heterogeneity to influence population and community dynamics and demonstrate how large restoration projects provide opportunities to test fundamental ecological questions.
Watershed characteristics shape the landscape genetics of brook stickleback (Culaea inconstans) in shallow prairie lakes
Authors: Kremer Cory S. , Vamosi Steven M. , Rogers Sean M. 
Published: March 2017

AbstractInvestigating the consequences of landscape features on population genetic patterns is increasingly important to elucidate the ecological factors governing connectivity between populations and predicting the evolutionary consequences of landscapes. Small prairie lakes in Alberta, Canada, and the brook stickleback (Culaea inconstans) that inhabit them, provide a unique aquatic system whereby populations are highly isolated from one another. These heterogeneous and extreme environments are prone to winterkills, an event whereby most of the fish die and frequent bottlenecks occur. In this study, we characterized the genetic population structure of brook stickleback among several lakes, finding that the species is hierarchically influenced by within‐lake characteristics in small‐scale watersheds. Landscape genetic analyses of the role of spatial features found support for basin characteristics associated with genetic diversity and bottlenecks in 20% of the sampled lakes. These results suggest that brook stickleback population genetic patterns may be driven, at least in part, by ecological processes that accelerate genetic drift and landscape patterns associated with reduced dispersal. Collectively, these results reinforce the potential importance of connectivity in the maintenance of genetic diversity, especially in fragmented landscapes.
Preconcentration of β‐blockers using functionalized ordered mesoporous silica as sorbent for SPE and their determination in waters by chiral CE
Authors: Silva Mariana , Morante‐Zarcero Sonia , Pérez‐Quintanilla Damián , Marina María Luisa , Sierra Isabel 
Published: March 2017

A method for simultaneous separation and determination of four enantiomeric pairs of β‐blockers in waters by chiral CE has been developed. Off‐line SPE was employed using functionalized ordered mesoporous silica as sorbent. Separation by CE was achieved using a BGE composed by methylated‐β‐CD (1.25% w/v) dissolved in a 50 mM phosphate buffer (pH 2.5) and 30°C, with good chiral resolution for all enantiomers. Mesoporous silica functionalized with octadecyl groups (denoted SBA15‐C18) was prepared by a postsynthesis method and applied for the preconcentration of atenolol, propranolol, metoprolol, and pindolol enantiomers in waters by off‐line SPE. Under optimized conditions, a preconcentration factor of 300 was achieved, employing 100 mg of SBA15‐C18 as sorbent, with recoveries between 96 and 105% in tap water and good repeatability (% RSD = 7–11%, n = 6). Commercial C18 amorphous silica (ExtraBondR C18) was also tested as sorbent for SPE, but results revealed better extraction capacity with higher recoveries for the SBA15‐C18 material. The analytical characteristics of the off‐line SPE‐chiral CE method were evaluated, showing good precision, linearity, and accuracy with method quantification limits between 5.3 and 13.7 μg/L for all enantiomers. The SBA15‐C18 material allowed the extraction of four enantiomeric pairs of β‐blockers spiked in tap water, river water, and ground water with recoveries between 58 and 105%.
Using clinically acquired MRI to construct age‐specific ADC atlases: Quantifying spatiotemporal ADC changes from birth to 6‐year old
Authors: Ou Yangming , Zöllei Lilla , Retzepi Kallirroi , Castro Victor , Bates Sara V. , Pieper Steve , Andriole Katherine P. , Murphy Shawn N. , Gollub Randy L. , Grant Patricia Ellen 
Published: March 2017

AbstractDiffusion imaging is critical for detecting acute brain injury. However, normal apparent diffusion coefficient (ADC) maps change rapidly in early childhood, making abnormality detection difficult. In this article, we explored clinical PACS and electronic healthcare records (EHR) to create age‐specific ADC atlases for clinical radiology reference. Using the EHR and three rounds of multiexpert reviews, we found ADC maps from 201 children 0–6 years of age scanned between 2006 and 2013 who had brain MRIs with no reported abnormalities and normal clinical evaluations 2+ years later. These images were grouped in 10 age bins, densely sampling the first 1 year of life (5 bins, including neonates and 4 quarters) and representing the 1–6 year age range (an age bin per year). Unbiased group‐wise registration was used to construct ADC atlases for 10 age bins. We used the atlases to quantify (a) cross‐sectional normative ADC variations; (b) spatiotemporal heterogeneous ADC changes; and (c) spatiotemporal heterogeneous volumetric changes. The quantified age‐specific whole‐brain and region‐wise ADC values were compared to those from age‐matched individual subjects in our study and in multiple existing independent studies. The significance of this study is that we have shown that clinically acquired images can be used to construct normative age‐specific atlases. These first of their kind age‐specific normative ADC atlases quantitatively characterize changes of myelination‐related water diffusion in the first 6 years of life. The quantified voxel‐wise spatiotemporal ADC variations provide standard references to assist radiologists toward more objective interpretation of abnormalities in clinical images. Our atlases are available at https://www.nitrc.org/projects/mgh_adcatlases. Hum Brain Mapp 38:3052–3068, 2017. © 2017 Wiley Periodicals, Inc.
Rab3A Inhibition of Ca2+‐Dependent Dopamine Release From PC12 Cells Involves Interaction With Synaptotagmin I
Authors: Dai Zhipan , Tang Xia , Chen Jia , Tang Xiaochao , Wang Xianchun 
Published: March 2017

ABSTRACTRab3 and synaptotagmin have been suggested to play important roles in the regulation of neurotransmitter release and, however, the molecular mechanism has not been completely clear. Here, we studied the effects of Rab3A and synaptotagmin I (Syt I) on dopamine release using PC12 cells as a model system. Rab3A was demonstrated to have effects on both Ca2+‐independent and Ca2+‐dependent dopamine releases from the PC12 cells. Application of Rab3A (up to 2500 nM) gradually decreased the amount of Ca2+‐dependently released dopamine, indicating that Rab3A is a negative modulator that was further supported by the increase in dopamine release caused by Rab3A knockdown. Syt I knockdown weakened the Ca2+‐dependent dopamine release, suggesting that Syt I plays a positive regulatory role in the cellular process. Treatment of the Syt I‐knocked down PC12 cells with Rab3A further decreased Ca2+‐dependent dopamine release and, however, the decrease magnitude was significantly reduced compared with that before Syt I knockdown, thus for the first time demonstrating that the inhibitory effect of Rab3A on Ca2+‐dependent dopamine release involves the interaction with Syt I. This work has shed new light on the molecular mechanism for Rab3 and synaptotamin regulation of neurotransmitter release. J. Cell. Biochem. 118: 3696–3705, 2017. © 2017 Wiley Periodicals, Inc.
Randomized controlled trial of perioperative antimicrobial therapy based on the results of preoperative bile cultures in patients undergoing biliary reconstruction
Authors: Okamura Kunishige , Tanaka Kimitaka , Miura Takumi , Nakanishi Yoshitsugu , Noji Takehiro , Nakamura Toru , Tsuchikawa Takahiro , Okamura Keisuke , Shichinohe Toshiaki , Hirano Satoshi 
Published: March 2017

AbstractBackgroundThe high frequency of surgical site infections (SSIs) after hepato‐pancreato‐biliary (HPB) surgery is a problem that needs to be addressed. This prospective, randomized, controlled study examined whether perioperative prophylactic use of antibiotics based on preoperative bile culture results in HPB surgery could decrease SSI.MethodsParticipants comprised 126 patients who underwent HPB (bile duct, gallbladder, ampullary, or pancreatic) cancer surgery with biliary reconstruction at Hokkaido University Hospital between August 2008 and March 2013 (UMIN Clinical Trial Registry #00001278). Before surgery, subjects were randomly allocated to a targeted group administered antibiotics based on bile culture results or a standard group administered cefmetazole. The primary endpoint was SSI rates within 30 days after surgery. Secondary endpoint was SSI rates for each operative procedure.ResultsOf the 126 patients, 124 were randomly allocated (targeted group, n = 62; standard group, n = 62). Frequency of SSI after surgery was significantly lower in the targeted group (27 patients, 43.5%) than in the standard group (44 patients, 71.0%; P = 0.002). Among patients who underwent pancreaticoduodenectomy and hepatectomy, SSI occurred significantly less frequently in the targeted group (P = 0.001 and P = 0.025, respectively).ConclusionsThis study demonstrated that preoperative bile culture‐targeted administration of prophylactic antibiotics decreased SSIs following HBP surgery with biliary reconstruction.
Online stacking of carboxylated magnetite core–shell nanoparticles in capillary electrophoresis
Authors: Baron Daniel , Dolanská Petra , Medříková Zdenka , Zbořil Radek , Petr Jan 
Published: March 2017

The stacking effect on carboxylated magnetite core–shell nanoparticles using sodium borate buffer pH 9.5 as the background electrolyte is presented. The ionic strength of the background electrolyte ranged from 5 to 100 mM, and the ionic strength of a sample zone ranged from 5 to 100 mM. Moreover, water was used as the sample dispersant. Both stacking and de‐stacking effects were observed when conductivities of the sample zone and the background electrolyte differed. An explanation of carboxylated magnetic core‐shell nanoparticles behavior was suggested based on the Derjaguin–Landau–Verwey–Overbeek theory supposing that the aggregation point is defined by the energetic barrier as the sum of energies given by electrostatic interactions and Van der Waals interactions. Moreover, the stacking conditions were applied for the evaluation of the lowest detectable dilution of magnetic nanoparticles. The carboxylated magnetic nanoparticles were dispersed in 10 mM borate/NaOH pH 9.5 and injected for 60 s to the background electrolyte composed of 100 mM borate/NaOH pH 9.5 that allowed the detection of 100‐fold diluted nanoparticles.
Trophic discrimination of stable isotopes and potential food source partitioning by leaf‐eating crabs in mangrove environments
Authors: Kristensen Erik , Lee Shing Yip , Mangion Perrine , Quintana Cintia O. , Valdemarsen Thomas 
Published: March 2017

AbstractDiet composition of leaf‐eating mangrove crabs is a puzzle among mangrove ecologists. Nutrient‐poor leaf litter can in most cases not support animal growth. Food partitioning (mangrove leaves, animal tissue, and microphytobenthos [MPB]) of sesarmid and ucidid mangrove crabs from eight locations in four countries was assessed using the concentration‐dependent stable isotope mixing model, IsoConc. While stable C and N isotopes have the potential to track the origin and proportion of food sources for these crabs, only few values of trophic discrimination are available. This problem was addressed here for crabs foraging on leaf litter to identify discrimination values that provide a balanced diet with sufficient nutrients (i.e., N) when combined with other food sources. The data from all mangrove locations suggest that sesarmid and ucidid crabs ingest and assimilate mixtures of available food items. Leaf litter in the form of brown leaves was always the most important C source, while animal tissue in the form live and dead “prey” or MPB in the form of diatoms at the sediment surface were the dominant N sources. Model scenarios were generated to obtain the upper thresholds of trophic 13C discrimination between the examined crab species and leaf litter, while complying with the molar C/N < 20 requirement for sustainable invertebrate nutrition. The model predicts litter 13C discrimination thresholds of +1.5‰ to +6.0‰ for sesarmid crabs and −0.3‰ to +0.6‰ for ucidid crabs. The difference is probably caused by metabolic disparities between these two crab families. Deviations in 15N discrimination have in most cases only minor influence on the model‐based 13C discrimination thresholds. The present findings lead us to suggest a modified Optimal Foraging Theory for leaf‐eating mangrove crabs.