bluuebunny/crossref_metadata_2025_split huggingface dataset:
MAVE: Maze‐based immersive virtual environment for new presence and experience
Authors: Lee Jiwon , Jeong Kisung , Kim Jinmo 
Published: April 2017

AbstractTo provide users with a sense of presence and experience, this study presents a maze‐based immersive virtual environment (MAVE). MAVE consists of a new immersive virtual scene and immersive interaction optimized for such maze. The algorithm for calculating a finite maze is defined to automatically generate diverse maze patterns; an interactive editing function and sketch‐based maze retrieval make it easier to generate maze patterns intuitively. With the integration of these procedures, MAVE proposes a user‐oriented maze terrain authoring system that can reconstruct two‐dimensional maze patterns into three‐dimensional maze terrains. It also provides an interaction system that enables users to be immersed in a broad virtual maze environment within a limited space. As an Arduino‐based portable walking simulator, this system detects the user's steps as he or she walks in place and controls the user's motions in the virtual environment. This study confirms through various technical and statistical experiments that MAVE can lead to new research on immersion enhancement without virtual reality sickness via virtual reality content.
Carbohydrate Analogue Microarrays for Identification of Lectin‐Selective Ligands
Authors: Hyun Ji Young , Park Cheol Wan , Liu Yanna , Kwon Daeun , Park Seong‐Hyun , Park Sungjin , Pai Jaeyoung , Shin Injae 
Published: April 2017

AbstractFifty‐five mono‐ and disaccharide analogues were prepared and used for the construction of microarrays to uncover lectin‐selective ligands. The microarray study showed that two disaccharide analogues, 28′ and 44′, selectively bind to Solanum tuberosum lectin (STL) and wheat germ agglutinin (WGA), respectively. Cell studies indicated that 28′ and 44′ selectively block the binding of STL and WGA to mammalian cells, unlike the natural ligand LacNAc, which suppresses binding of both STL and WGA to cells.
Biocatalytic Asymmetric Phosphorylation Catalyzed by Recombinant Glycerate‐2‐Kinase
Authors: Hardt Norman , Kinfu Birhanu M. , Chow Jennifer , Schoenenberger Bernhard , Streit Wolfgang R. , Obkircher Markus , Wohlgemuth Roland 
Published: April 2017

AbstractThe efficient synthesis of pure d‐glycerate‐2‐phosphate is of great interest due to its importance as an enzyme substrate and metabolite. Therefore, we investigated a straightforward one‐step biocatalytic phosphorylation of glyceric acid. Glycerate‐2‐kinase from Thermotoga maritima was expressed in Escherichia coli, allowing easy purification. The selective glycerate‐2‐kinase‐catalyzed phosphorylation was followed by 31P NMR and showed excellent enantioselectivity towards phosphorylation of the d‐enantiomer of glyceric acid. This straightforward phosphorylation reaction and subsequent product isolation enabled the preparation of enantiomerically pure d‐glycerate 2‐phosphate. This phosphorylation reaction, using recombinant glycerate‐2‐kinase, yielded d‐glycerate 2‐phosphate in fewer reaction steps and with higher purity than chemical routes.
Rigidly Tethered Bis‐phosphoric Acids: Generation of Tunable Chiral Fluorescent Frameworks and Unexpected Selectivity for the Detection of Ferric Ions
Authors: Octa‐Smolin Frescilia , Mitra Raja , Thiele Maike , Daniliuc Constantin G. , Stegemann Linda , Strassert Cristian , Niemeyer Jochen 
Published: April 2017

AbstractWe describe the straightforward synthesis of a series of bis‐phosphoric acids (R,R)‐1 a–d, featuring two chiral 1,1′‐binaphthyl‐phosphoric acid units that are tethered by rigid, π‐conjugated linkers. The nature of the linker has a profound influence on the properties of the bis‐phosphoric acids, such as their self‐association behavior and their interaction with metal ions. This led to the identification of one preferred bis‐phosphoric acid (R,R)‐1 d, which shows selective fluorescence quenching in the presence of ferric ions (Fe3+). Thus, (R,R)‐1 d could be applied for the detection of Fe3+, even in the presence of a variety of other metal ions. The chiral nature of the bis‐phosphoric acid enables the interaction with Fe3+ to be followed by CD spectroscopy, providing a complementary detection mode with the same probe.
Chemical Synthesis of Modified Hyaluronic Acid Disaccharides
Authors: Mende Marco , Nieger Martin , Bräse Stefan 
Published: April 2017

AbstractHerein we report a chemical synthesis towards new modified hyaluronic acid oligomers by using only commercially available d‐glucose and d‐glucosamine hydrochloride. The various protected hyaluronic acid disaccharides were synthesized bearing new functional groups at C‐6 of the β‐d‐glucuronic acid moiety with a view to structure‐related biological activity tests. The orthogonal protecting group pattern allows ready access to the corresponding higher oligomers. Also, 1H NMR studies of the new derivatives demonstrated the effect of the various functional groups on the intramolecular electronic environment.
A Metal‐Free Oxidative Dehydrogenative Diels–Alder Reaction for Selective Functionalization of Alkylbenzenes
Authors: Manna Srimanta , Antonchick Andrey P. 
Published: April 2017

AbstractFunctionalization of C(sp3)−H bonds under metal‐free reaction conditions is a great challenge due to poor bond reactivity. A novel metal‐free oxidative dehydrogenative Diels–Alder reaction of alkylbenzene derivatives with alkenes through C(sp3)−H bond functionalization is described. The developed oxidative method provides a straightforward approach to biologically relevant 1,4‐phenanthraquinone and isoindole derivatives from readily available starting materials. Furthermore, the synthesis of nitrostyrenes from enylbenzene derivatives by selective C(sp3)−H bond functionalization has been demonstrated.
Synthesis of Benzo[c]silole Derivatives Bearing a Tetrasubstituted Exocyclic C=C Double Bond by Palladium‐Catalyzed Domino Reactions
Authors: Wagner Patrick , Gulea Mihaela , Suffert Jean , Donnard Morgan 
Published: April 2017

AbstractThe synthesis of diversely substituted 2,3‐dihydro‐benzo[c]siloles through an unprecedented palladium‐catalyzed domino sequence is reported, involving a cyclocarbopalladation of an internal silylalkyne. This reaction proceeds with complete stereoselectivity to lead to a fully substituted exocyclic C=C double bond. Notably, the overall domino sequence appears to be crucial to obtain the desired cyclic vinylsilanes.
Engineered CaCO3 nanoparticles with targeting activity: A simple approach for a vascular intended drug delivery system
Authors: Ferrari Pier Francesco , Aliakbarian Bahar , Zattera Elena , Pastorino Laura , Palombo Domenico , Perego Patrizia 
Published: April 2017

AbstractDuring the last decade, great attention has been paid to drug delivery systems that are able to induce a site‐specific and tunable release of biomolecules, attenuating the drawbacks of common therapy. The encapsulation of bioactive compounds, such as proteins and drugs, offers the advantage of enhancing the pharmacokinetics and bioavaliability of the entrapped molecules. The encapsulating technique and coating agents are chosen on the basis of the desired functionality of the final product, release kinetics, and fabrication costs. Calcium carbonate (CaCO3) is considered an ideal substrate to fabricate particles at the nanoscale level. In this work, CaCO3 nanoparticles were synthesized through a two‐step protocol which comprised complex coacervation and mineralization, and they were loaded with bovine serum albumin (BSA) as a model protein. The synthesized nanoparticles were then functionalized with the layer‐by‐layer (LbL) electrostatic self‐assembling technique using chitosan as a polycation and dextran sulphate as a polyanion. The multilayered architecture that covers CaCO3 nanoparticles prevented a burst release of BSA, resulting in 77.34 ± 1.22 % of the released protein, after 72 h of incubation. A horseradish peroxidase‐linked IgG was immobilized at the outer particle layer and its presence was detected via chemiluminescence. Multilayered and non‐multilayered nanoparticles were biocompatible until 7 days using EA. hy926 endothelial cells. Here, we report a cost‐effective protocol to obtain protein‐loaded CaCO3 nanoparticles (diameter < 155 nm) using a coacervate‐based synthesis system. Furthermore, with a very simple technique these nanoparticles were functionalized with antibodies, developing immuno‐nanoparticles to apply in the drug delivery field.
Identification of Transthyretin Fibril Formation Inhibitors Using Structure‐Based Virtual Screening
Authors: Ortore Gabriella , Martinelli Adriano 
Published: April 2017

AbstractTransthyretin (TTR) is the primary carrier for thyroxine (T4) in cerebrospinal fluid and a secondary carrier in blood. TTR is a stable homotetramer, but certain factors, genetic or environmental, could promote its degradation to form amyloid fibrils. A docking study using crystal structures of wild‐type TTR was planned; our aim was to design new ligands that are able to inhibit TTR fibril formation. The computational protocol was thought to overcome the multiple binding modes of the ligands induced by the peculiarity of the TTR binding site and by the pseudosymmetry of the site pockets, which generally weaken such structure‐based studies. Two docking steps, one that is very fast and a subsequent step that is more accurate, were used to screen the Aldrich Market Select database. Five compounds were selected, and their activity toward inhibiting TTR fibril formation was assessed. Three compounds were observed to be actives, two of which have the same potency as the positive control, and the other was found to be a promising lead compound. These results validate a computational protocol that is able to archive information on the key interactions between database compounds and TTR, which is valuable for supporting further studies.
In‐memory staging and data‐centric task placement for coupled scientific simulation workflows
Authors: Zhang Fan , Jin Tong , Sun Qian , Romanus Melissa , Bui Hoang , Klasky Scott , Parashar Manish 
Published: April 2017

SummaryCoupled scientific simulation workflows are composed of heterogeneous component applications that simulate different aspects of the physical phenomena being modeled and that interact and exchange significant volumes of data at runtime. As the data volumes and generation rates keep growing, the traditional disk I/O–based data movement approach becomes cost prohibitive, and workflow requires more scalable and efficient approach to support the data movement. Moreover, the cost of moving large volume of data over system interconnection network becomes dominating and significantly impacts the workflow execution time. Minimize the amount of network data movement and localize data transfers are critical for reducing such cost. To achieve this, workflow task placement should exploit data locality to the extent possible and move computation closer to data. In this paper, we investigate applying in‐memory data staging and data‐centric task placement to reduce the data movement cost in large‐scale coupled simulation workflows. Specifically, we present a distributed data sharing and task execution framework that (1) co‐locates in‐memory data staging on application compute nodes to store data that needs to be shared or exchanged and (2) uses data‐centric task placement to map computations onto processor cores that a large portion of the data exchanges can be performed using the intra‐node shared memory. We also present the implementation of the framework and its experimental evaluation on Titan Cray XK7 petascale supercomputer.
Tandem Transformation of Nitro Compounds into N‐Methylated Amines: Greener Strategy for the Utilization of Methanol as a Methylating Agent
Authors: Paul Bhaskar , Shee Sujan , Chakrabarti Kaushik , Kundu Sabuj 
Published: April 2017

AbstractA simple air‐ and moisture‐stable, highly efficient ruthenium NNN pincer complex is reported for the first time to catalyze the tandem transformation of various aromatic and aliphatic nitro compounds into the corresponding N‐methylated amines in up to 98 % yield by using methanol as a green methylating agent. Gram‐scale reactions of challenging nitro substrates demonstrated the practical application aspects of this catalytic system. Importantly, the N‐methylamine moiety could be smoothly introduced to various complex molecular structures without using any expensive palladium/phosphine/amine‐based cross‐coupling reactions.
FNAC aided diagnosis of clear cell sarcoma of kidney: Report of two cases in infants
Authors: Das Indranil , Das Ram Narayan , Dalal Bibhas Saha , Bisht Janki , Kanjilal Banhishikha , Chatterjee Uttara 
Published: April 2017

AbstractClear cell sarcoma of kidney (CCSK) is a rare aggressive malignant renal neoplasm with a high metastatic potential. Its outcome has however, improved with the advent of doxorubicin based neoadjuvant chemotherapy. Here, we present two cases of CCSK in infants diagnosed on cytology followed by nephrectomy. The first case presented in the neonatal period and had the unusual histological finding of islands of cartilage. The second case presented at the age of eight months. The possibility of CCSK should, therefore, be considered in the differential diagnoses of renal masses in infants as well as neonates. Diagn. Cytopathol. 2017;45:761–765. © 2017 Wiley Periodicals, Inc.
Prediction of harmful variants on mitochondrial genes: Test of habitat‐dependent and demographic effects in a euryhaline fish
Authors: Vasemägi Anti , Sulku Janne , Bruneaux Matthieu , Thalmann Olaf , Mäkinen Hannu , Ozerov Mikhail 
Published: April 2017

AbstractBoth effective population size and life history may influence the efficacy of purifying selection, but it remains unclear if the environment affects the accumulation of weakly deleterious nonsynonymous polymorphisms. We hypothesize that the reduced energetic cost of osmoregulation in brackish water habitat may cause relaxation of selective constraints at mitochondrial oxidative phosphorylation (OXPHOS) genes. To test this hypothesis, we analyzed 57 complete mitochondrial genomes of Pungitius pungitius collected from brackish and freshwater habitats. Based on inter‐ and intraspecific comparisons, we estimated that 84% and 68% of the nonsynonymous polymorphisms in the freshwater and brackish water populations, respectively, are weakly or moderately deleterious. Using in silico prediction tools (MutPred, SNAP2), we subsequently identified nonsynonymous polymorphisms with potentially harmful effect. Both prediction methods indicated that the functional effects of the fixed nonsynonymous substitutions between nine‐ and three‐spined stickleback were weaker than for polymorphisms within species, indicating that harmful nonsynonymous polymorphisms within populations rarely become fixed between species. No significant differences in mean estimated functional effects were identified between freshwater and brackish water nine‐spined stickleback to support the hypothesis that reduced osmoregulatory energy demand in the brackish water environment reduces the strength of purifying selection at OXPHOS genes. Instead, elevated frequency of nonsynonymous polymorphisms in the freshwater environment (Pn/Ps = 0.549 vs. 0.283; Fisher's exact test p = .032) suggested that purifying selection is less efficient in small freshwater populations. This study shows the utility of in silico functional prediction tools in population genetic and evolutionary research in a nonmammalian vertebrate and demonstrates that mitochondrial energy production genes represent a promising system to characterize the demographic, life history and potential habitat‐dependent effects of segregating amino acid variants.
Multi‐level Climate Governance in China
Authors: Schreurs Miranda 
Published: April 2017

AbstractChina is setting increasingly ambitious greenhouse gas targets and backing them up with a wide array of policies and programmes. How successful China will be in slowing and eventually reversing the growth in its greenhouse gas emissions will depend significantly on how well it does with policy implementation at the local and regional levels. This article examines how climate governance works in China's multi‐level governance structure. It explores why the Chinese leadership is taking climate change seriously, the nature of the policies and programmes being introduced, and the steps being taken to promote local environmental innovation and improve policy compliance. Copyright © 2017 John Wiley & Sons, Ltd and ERP Environment
Simply Assembly of Acidic Nanospheres for Efficient Production of 5‐Ethoxymethylfurfural from 5‐Hydromethylfurfural and Fructose
Authors: Wang Zhongwei , Li Hu , Fang Chengjiang , Zhao Wenfeng , Yang Tingting , Yang Song 
Published: April 2017

AbstractA series of organic–inorganic acidic hybrids in uniform nanospheres were prepared by self‐assembly of phosphotungstic acid (HPW) and pyridine (PY) or triethylamine (TEA) without using a template and surfactant. The prepared samples were characterized by XRD, TEM, FTIR, and N2 adsorption–desorption isotherms, and their surface acidity was determined by titration. Particularly, PY‐PW‐1 showed a predominant catalytic performance in the near complete etherification of 5‐hydromethylfurfural (HMF) to 5‐ethoxymethylfurfural (EMF) with a high yield of 90 % at 80 °C in 24 h, which might be ascribed to its relatively high acidity and smaller particle size. This kinetic study elucidated the superior activity of PY‐PW‐1 in the HMF‐to‐EMF conversion. Fructose could also be directly converted to EMF in a moderate yield of 55 % at an elevated temperature of 120 °C by a cascade reaction process. In addition, PY‐PW‐1 could be reused five times with no evident loss of its catalytic activity. Importantly, the downstream product of EMF (i.e., ethyl levulinate) in an excellent yield of 93 % could also be achieved from HMF by further increasing the reaction temperature to 140 °C.
Developing, choosing and using landscape evolution models to inform field‐based landscape reconstruction studies
Authors: Temme A.J.A.M. , Armitage J. , Attal M. , van Gorp Wouter , Coulthard T.J. , Schoorl J.M. 
Published: April 2017

AbstractLandscape evolution models (LEMs) are an increasingly popular resource for geomorphologists as they can operate as virtual laboratories where the implications of hypotheses about processes over human to geological timescales can be visualized at spatial scales from catchments to mountain ranges. Hypothetical studies for idealized landscapes have dominated, although model testing in real landscapes has also been undertaken. So far however, numerical landscape evolution models have rarely been used to aid field‐based reconstructions of the geomorphic evolution of actual landscapes. To help make this use more common, we review numerical landscape evolution models from the point of view of model use in field reconstruction studies. We first give a broad overview of the main assumptions and choices made in many LEMs to help prospective users select models appropriate to their field situation. We then summarize for various timescales which data are typically available and which models are appropriate. Finally, we provide guidance on how to set up a model study as a function of available data and the type of research question. Copyright © 2017 John Wiley & Sons, Ltd.
Mortality effects of temperature changes in the United Kingdom
Authors: Seklecka Malgorzata , Pantelous Athanasios A. , O'Hare Colin 
Published: April 2017

AbstractTemperature changes are known to affect the social and environmental determinants of health in various ways. Consequently, excess deaths as a result of extreme weather conditions may increase over the coming decades because of climate change. In this paper, the relationship between trends in mortality and trends in temperature change (as a proxy) is investigated using annual data and for specified (warm and cold) periods during the year in the UK. A thoughtful statistical analysis is implemented and a new stochastic, central mortality rate model is proposed. The new model encompasses the good features of the Lee and Carter (Journal of the American Statistical Association, 1992,87: 659–671) model and its recent extensions, and for the very first time includes an exogenous factor which is a temperature‐related factor. The new model is shown to provide a significantly better‐fitting performance and more interpretable forecasts. An illustrative example of pricing a life insurance product is provided and discussed.
Effects of M1 and M4 activation on excitatory synaptic transmission in CA1
Authors: Thorn Catherine A. , Popiolek Michael , Stark Eda , Edgerton Jeremy R. 
Published: April 2017

AbstractHippocampal networks are particularly susceptible to dysfunction in many neurodegenerative diseases and neuropsychiatric disorders including Alzheimer's disease, Lewy body dementia, and schizophrenia. CA1, a major output region of the hippocampus, receives glutamatergic input from both hippocampal CA3 and entorhinal cortex, via the Schaffer collateral (SC) and temporoammonic (TA) pathways, respectively. SC and TA inputs to CA1 are thought to be differentially involved in the retrieval of previously stored memories versus the encoding of novel information, and switching between these two crucial hippocampal functions is thought to critically depend on acetylcholine (ACh) acting at muscarinic receptors. In this study, we aimed to determine the roles of specific subtypes of muscarinic receptors in mediating the neuromodulatory effects of ACh on glutamatergic synaptic transmission in the SC and TA pathways of CA1. Using selective pharmacological activation of M1 or M4 receptors along with extracellular and intracellular electrophysiology recordings from adult rat hippocampal slices, we demonstrate that activation of M1 receptors increases spontaneous spike rates of neuronal ensembles in CA1 and increases the intrinsic excitability of pyramidal neurons and interneurons. Selective activation of M4 receptors inhibits glutamate release in the SC pathway, while leaving synaptic transmission in the TA pathway comparatively intact. These results suggest specific mechanisms by which M1 and M4 activation may normalize CA1 circuit activity following disruptions of signaling that accompany neurodegenerative dementias or neuropsychiatric disorders. These findings are of particular interest in light of clinical findings that xanomeline, an M1/M4 preferring agonist, was able to improve cognitive and behavioral symptoms in patients with Alzheimer's disease or schizophrenia.