bluuebunny/crossref_metadata_2025_split huggingface dataset:
ChemInform Abstract: EVIDENCE FOR BICYCLIC OXONIUM IONS IN THE NITROUS ACID DEAMINATION OF BENZYL 2‐AMINO‐4,6‐O‐BENZYLIDENE‐2‐DEOXY‐D‐GLUCOPYRANOSIDES
Authors: CHAN W. P. , GROSS P. H. 
Published: April 2016

AbstractBei der Behandlung mit Nitrit erhält man aus den Aminozuckern (I) bzw. (II) das Epoxid (III), das mit Ammoniak wiederum zu einem Gemisch aus (I) und (II) gespalten wird.
ChemInform Abstract: SYNTHESIS OF 2‐METHOXY‐4,5‐(METHYLENEDIOXY)CINNAMOYLPIPERIDINE ‐ AN ALKALOID FROM PIPER PEEPULOIDES
Authors: VIG O. P. , HANDA V. K. , TREHAN I. R. , SINGH S. 
Published: April 2016

AbstractDer Aldehyd (I) wird in einer modifizierten Synthese mit dem Wittig‐Reagens (II) zu dem Zimtsäureester (III) umgesetzt.
ChemInform Abstract: A NITROSAMINE ROUTE TO (.+‐.)‐MACROSTOMINE
Authors: WYKYPIEL W. , SEEBACH D. 
Published: April 2016

AbstractVeratrumaldehyd (I) liefert mit dem Aminoaldehyddiethylacetal (II) in bekannter Weise das Tetrahydroisochinolinol (IIIa), das zu (IIIb) nitrosiert wird und weiter mit dem entsprechenden Benzylbromid zu (IVa) reagiert.
ChemInform Abstract: THIOCARBAMIC AND CARBAMIC ESTERS OF BENZENEDITHIOLS WITH ANTIFUNGAL ACTIVITY
Authors: MONTANARI L. , MAZZA M. , PAVANETTO F. , MODENA T. 
Published: April 2016

AbstractDurch Umsetzung entsprechender Dithio‐phenole mit Isothiocyanaten bzw. Isocyanaten erhält man die Carbamidsäureester (I)‐(III).
Enantiomeric 4‐Acylamino‐6‐alkyloxy‐2 Alkylthiopyrimidines As Potential A3Adenosine Receptor Antagonists: HPLC Chiral Resolution and Absolute Configuration Assignment by a Full Set of Chiroptical Spectroscopy
Authors: Rossi Daniela , Nasti Rita , Marra Annamaria , Meneghini Silvia , Mazzeo Giuseppe , Longhi Giovanna , Memo Maurizio , Cosimelli Barbara , Greco Giovanni , Novellino Ettore , Da Settimo Federico , Martini Claudia , Taliani Sabrina , Abbate Sergio , Collina Simona 
Published: April 2016

AbstractThe chiral separation of enantiomeric couples of three potential A3adenosine receptor antagonists: (R/S)‐N‐(6‐(1‐phenylethoxy)‐2‐(propylthio)pyrimidin‐4‐yl)acetamide (1), (R/S)‐N‐(2‐(1‐phenylethylthio)‐6‐propoxypyrimidin‐4‐yl)acetamide (2), and (R/S)‐N‐(2‐(benzylthio)‐6‐sec‐butoxypyrimidin‐4‐yl)acetamide (3) was achieved by high‐performance liquid chromatography (HPLC). Three types of chiroptical spectroscopies, namely, optical rotatory dispersion (ORD), electronic circular dichroism (ECD), and vibrational circular dichroism (VCD), were applied to enantiomeric compounds. Through comparison with Density Functional Theory (DFT) calculations, encompassing extensive conformational analysis, full assignment of the absolute configuration (AC) for the three sets of compounds was obtained.Chirality 28:434–440, 2016. © 2016 Wiley Periodicals, Inc.
Pharmacokinetic Studies around the Mono‐ and Difunctionalization of a Bioavailable Cyclic Decapeptide Scaffold
Authors: Fouché Marianne , Schäfer Michael , Blatter Markus , Berghausen Jörg , Desrayaud Sandrine , Roth Hans‐Jörg 
Published: April 2016

AbstractWe previously reported the design of several cyclic decapeptides based on a generic scaffold that achieved favorable oral bioavailability and exposure. With the goal to further investigate the potential of this approach, we describe herein the effect of mono‐ and difunctionalization of this scaffold. A series of cyclic decapeptides were therefore subjected to a range of in vitro assays and pharmacokinetic (PK) studies to investigate whether the introduction of polar or charged groups could be tolerated by the “engineered” scaffold while maintaining good PK profiles. Whereas the introduction of charged amino acids proved—besides maintaining low clearance—to conceal the inherent PK properties of the scaffold, the introduction of polar amino acids (i.e., threonine and pyridyl alanine) led to several cyclic decapeptides exhibiting excellent PK profiles together with a solubility that was significantly improved relative to that of previously reported cyclic decapeptides.
Fluorine Scan of Inhibitors of the Cysteine Protease Human Cathepsin L: Dipolar and Quadrupolar Effects in the π‐Stacking of Fluorinated Phenyl Rings on Peptide Amide Bonds
Authors: Giroud Maude , Harder Michael , Kuhn Bernd , Haap Wolfgang , Trapp Nils , Schweizer W. Bernd , Schirmeister Tanja , Diederich François 
Published: April 2016

AbstractThe π‐stacking of fluorinated benzene rings on protein backbone amide groups was investigated, using a dual approach comprising enzyme–ligand binding studies complemented by high‐level quantum chemical calculations. In the experimental study, the phenyl substituent of triazine nitrile inhibitors of human cathepsin L (hCatL), which stacks onto the peptide amide bond Gly67−Gly68 at the entrance of the S3 pocket, was systematically fluorinated, and differences in inhibitory potency were measured in a fluorimetric assay. Binding affinity is influenced by lipophilicity (clog P), the dipole and quadrupole moments of the fluorinated rings, but also by additional interactions of the introduced fluorine atoms with the local environment of the pocket. Generally, the higher the degree of fluorination, the better the binding affinities. Gas phase calculations strongly support the contributions of the molecular quadrupole moments of the fluorinated phenyl rings to the π‐stacking interaction with the peptide bond. These findings provide useful guidelines for enhancing π‐stacking on protein amide fragments.
Hydrogen Adsorption Properties of Carbon Nanotubes and Platinum Nanoparticles from a New Ammonium‐Ethylimidazolium Chloroplatinate Salt
Authors: Tamburri Emanuela , Cassani Maria Cristina , Ballarin Barbara , Tomellini Massimo , Femoni Cristina , Mignani Adriana , Terranova Maria Letizia , Orlanducci Silvia 
Published: April 2016

AbstractSelf‐supporting membranes built entirely of carbon nanotubes have been prepared by wet methods and characterized by Raman spectroscopy. The membranes are used as supports for the electrodeposition of Pt nanoparticles without the use of additional additives and/or stabilizers. The Pt precursor is an ad hoc synthesized ammonium‐ethylimidazolium chloroplatinate(IV) salt, [NH3(CH2)2MIM)][PtCl6]. The Pt complex was characterized using NMR spectroscopy, XRD, ESI‐MS, and FTIR spectroscopy. The interaction between the Pt‐carbon nanotubes nanocomposites and hydrogen is analyzed using electrochemical and quartz microbalance measurements under near‐ambient conditions. The contribution of the Pt phase to the hydrogen adsorption on nanotube is found and explained by a kinetic model that takes into account a spillover event. Such a phenomenon may be exploited conveniently for catalysis and electrocatalysis applications in which the hybrid systems could act as a hydrogen transfer agent in specific hydrogenation reactions.
Energy Storage in Strained Organic Molecules: (Spectro)Electrochemical Characterization of Norbornadiene and Quadricyclane
Authors: Brummel Olaf , Besold Daniel , Döpper Tibor , Wu Yanlin , Bochmann Sebastian , Lazzari Federica , Waidhas Fabian , Bauer Udo , Bachmann Philipp , Papp Christian , Steinrück Hans‐Peter , Görling Andreas , Libuda Jörg , Bachmann Julien 
Published: April 2016

AbstractWe have investigated the electrochemically triggered cycloreversion of quadricyclane (QC) to norbornadiene (NBD), a system that holds the potential to combine both energy storage and conversion in a single molecule. Unambiguous voltammetric traces are obtained for pure NBD and pure QC, the latter a strained polycyclic isomer of the former. The difference in redox potentials is smaller than the energy difference between the neutral molecules. This is owing to a significant energy difference between the corresponding radical cations, as demonstrated by density functional theory (DFT) calculations. The vibrational modes of each pure compound are characterized experimentally in the fingerprint region and identified by DFT methods. Thermal and electrochemical transformations of NBD and QC are monitored in situ by IR spectroelectrochemical methods. The kinetics of the cycloreversion of QC to NBD, which is catalyzed by oxidizing equivalents, can be controlled by an applied electrode potential, which implies the ability to adjust in real time the release of thermal power stored in QC.
Developmental changes in motor cortex activity as infants develop functional motor skills
Authors: Nishiyori Ryota , Bisconti Silvia , Meehan Sean K. , Ulrich Beverly D. 
Published: April 2016

AbstractDespite extensive research examining overt behavioral changes of motor skills in infants, the neural basis underlying the emergence of functional motor control has yet to be determined. We used functional near‐infrared spectroscopy (fNIRS) to record hemodynamic activity of the primary motor cortex (M1) from 22 infants (11 six month‐olds, 11 twelve month‐olds) as they reached for an object, and stepped while supported over a treadmill. Based on the developmental systems framework, we hypothesized that as infants increased goal‐directed experience, neural activity shifts from a diffused to focal pattern. Results showed that for reaching, younger infants showed diffuse areas of M1 activity that became focused by 12 months. For elicited stepping, younger infants produced much less M1 activity which shifted to diffuse activity by 12 months. Thus, the data suggest that as infants gain goal‐directed experience, M1 activity emerges, initially showing a diffuse area of activity, becoming refined as the behavior stabilizes. Our data begin to document the cortical activity underlying early functional skill acquisition.
Policy and Governance for Sustainable Consumption at the Crossroads of Theories and Concepts
Authors: Keller Margit , Halkier Bente , Wilska Terhi‐Anna 
Published: April 2016

AbstractThis introductory article of the special issue compares different conceptual underpinnings of efforts to make the everyday activities of consumers more sustainable. As social practice theory (SPT) is the main theoretical foundation of the articles collected here, we outline its strengths and limitations, when compared with the dominant individual‐oriented behaviour change approach, and we focus on theories of planned behaviour, social marketing as well as ‘choice architecture’, based on behavioural economics. This article analyses SPT's usefulness, particularly from the applied point of view for policy‐makers and social change programme designers. In the final section we provide some recommendations. These consider the need for greater reflexivity and experimentation with the practices of policy‐ and programme‐making and the building of coalitions of ‘distributed interveners’. They also relate to the need for more focus on consumers' workplace practices alongside domestic practices and analysis of and intervention in the material environments and objects in which social practices are embedded. Finally, they are concerned with the identification of moments of transition in consumers' lives and they focus on the ‘transition practices’ that familiarize people with their new life situations. Copyright © 2016 John Wiley & Sons, Ltd and ERP Environment
DBU‐Mediated [3+2] Cycloaddition Reactions of Donor–Acceptor Cyclopropanes with Nitromethane: Efficient Strategy for the Construction of Isoxazole Skeletons
Authors: Xue Shuwen , Liu Jiaming , Wang Cunde 
Published: April 2016

AbstractA new DBU‐mediated [3+2] cycloaddition reaction has been developed using readily available donor–acceptor cyclopropanes and nitromethane. This approach provides a straightforward and efficient route to the construction of polysubstituted isoxazole scaffolds in high yields.
Optimal design of tuned mass dampers for a multi‐storey cross laminated timber building against seismic loads
Authors: Poh'sie G. H. , Chisari C. , Rinaldin G. , Amadio C. , Fragiacomo M. 
Published: April 2016

SummaryIn this paper, the effectiveness of different design solutions for tuned mass dampers (TMD) applied to high‐rise cross‐laminated (X‐Lam) timber buildings as a means to reduce the seismic accelerations was investigated. A seven‐storey full‐scale structure previously tested on shaking table was used as a reference. The optimal design parameters of the TMDs, i.e. damping and frequency ratios, were determined by using a genetic algorithm on a simplified model of the reference structure, composed by seven masses each representing one storey. The optimal solutions for the TMDs were then applied to a detailed finite element model of the seven‐storey building, where the timber panels were modelled with shell elements and the steel connectors with linear spring. By comparing the numerical results of the building with and without multiple TMDs, the improvement in seismic response was assessed. Dynamic time‐history analyses were carried out for a set of seven natural records, selected in accordance with Eurocode 8, on the simplified model, and for Kobe earthquake ground motion on the detailed model. Results in terms of acceleration reduction for different TMD configurations show that the behaviour of the seven‐storey timber building can be significantly improved, especially at the upper storeys. Copyright © 2016 John Wiley & Sons, Ltd.
The Informational Content of the Term Spread in Forecasting the US Inflation Rate: A Nonlinear Approach
Authors: Plakandaras Vasilios , Gogas Periklis , Papadimitriou Theophilos , Gupta Rangan 
Published: April 2016

AbstractThe difficulty in modelling inflation and the significance in discovering the underlying data‐generating process of inflation is expressed in an extensive literature regarding inflation forecasting. In this paper we evaluate nonlinear machine learning and econometric methodologies in forecasting US inflation based on autoregressive and structural models of the term structure. We employ two nonlinear methodologies: the econometric least absolute shrinkage and selection operator (LASSO) and the machine‐learning support vector regression (SVR) method. The SVR has never been used before in inflation forecasting considering the term spread as a regressor. In doing so, we use a long monthly dataset spanning the period 1871:1–2015:3 that covers the entire history of inflation in the US economy. For comparison purposes we also use ordinary least squares regression models as a benchmark. In order to evaluate the contribution of the term spread in inflation forecasting in different time periods, we measure the out‐of‐sample forecasting performance of all models using rolling window regressions. Considering various forecasting horizons, the empirical evidence suggests that the structural models do not outperform the autoregressive ones, regardless of the model's method. Thus we conclude that the term spread models are not more accurate than autoregressive models in inflation forecasting. Copyright © 2016 John Wiley & Sons, Ltd.
Non–Pt Catalyst Layer Operation in a PEM Fuel Cell: A Variable‐thickness Regime
Authors: Kulikovsky A. 
Published: April 2016

AbstractA recently pubilshed experimental polarization curve of a PEM fuel cell with the non–Pt cathode catalyst layer (CCL) exhibits unusual feature: in the region of small current densities, the curve is close to linear. We report a model for the CCL performance which explains this effect. The model includes finite rate of the oxygen adsorption on the catalyst surface. Qualitatively, due to a very high exchange current density of the non–Pt catalyst, the ORR rate close to the membrane is determined by the potential–independent oxygen adsorption rate. This leads to a specific regime of the CCL operation, when only part of the CCL thickness contributes to current production, while the rest part is completely inactive. With the growth of the cell current, the active part increases in width, while the inactive part shrinks. The resulting polarization curve appears to be close to linear.
Climate Variability and Change: Impacts On Water Availability†
Authors: Lengoasa J. 
Published: April 2016

AbstractClimate change adaptation is an important issue for water and food security but also to sustainable development in the future. How the weather and climate elements will change in the future under climate change conditions will determine the long‐term sustainability of water supplies for food production in many areas. Therefore, it is critical to address the issue of climate variability and change on the impacts on water availability. This paper highlights the following topics: latest scientific understanding on climate change; efforts being made by World Meteorological Organization (WMO) through its network of National Hydrological and Meteorological Services in delivering science based services; establishment of the Global Framework for Climate Services (GFCS) which has been established by the WMO in collaboration with other international agencies to provide climate information and services; and need for broader collaboration and cooperation among different development sectors at global as well as regional and national levels. ICID and its members were urged to establish linkages at the global, regional and national levels to ensure that climate information and services reach their audiences for the betterment of humanity. It was stressed that the various ICID and WMO communities can make a difference by working together. Copyright © 2016 John Wiley & Sons, Ltd.
A Note on Strategy Theme Knowledge Management
Authors: Pandya A.B. , Hadimoeljono Basuki 
Published: April 2016

AbstractManaging knowledge is the key to the success of any professional network like the International Commission on Irrigation and Drainage (ICID). Fast‐changing technologies influence the knowledge process. It is crucial that all knowledge management processes make use of developments in information and other technologies. In order to fulfil the mission of ICID of pooling and dissemination of knowledge in the field of irrigation, drainage and flood management, the strategies to manage knowledge have to align themselves with the available IT tools. ICID Working Groups engaged in various facets of irrigation, drainage and flood management need to make the best use of these technologies. The strategy theme ‘Knowledge’, under which activities related to knowledge management are organized, was reviewed during the 65th Meeting of the International Executive Council of ICID in September 2014 in Gwangju, Republic of Korea. This paper presents an overview of the knowledge management activities of various working groups and presents some of the decisions taken by the Council for its improvement. Copyright © 2016 John Wiley & Sons, Ltd.
Nanodiamond for biolabelling and toxicity evaluation in the zebrafish embryo in vivo
Authors: Lin Y.‐C. , Wu K.‐T. , Lin Z.‐R. , Perevedentseva E. , Karmenyan A. , Lin M.‐D. , Cheng C.‐L. 
Published: April 2016

Nanodiamond (ND) has been proposed for various biomedical applications, including bioimaging, biosensing and drug delivery, owing to its physical‐chemical properties and biocompatibility. Particularly, ND has been demonstrated as fluorescence‐ and Raman‐detectable labels in many cellular models. Different surface functionalization methods have been developed, varying the ND's surface properties and rendering the possibility to attach biomolecules to provide interaction with biological targets. For this, toxicity is of major concern in animal models. Aside from cellular models, a cost‐effective animal test will greatly facilitate the development of applications. In this study, we use the rapid, sensitive and reproducible zebrafish embryo model for in vivo nanotoxicity test. We optimize the conditions for using this animal model and analyze the zebrafish embryonic development in the presence of ND. ND is observed in the embryo in vivo using laser confocal fluorescence microscopy and fluorescence lifetime imaging. Using the zebrafish model for a safety evaluation of ND‐based nanolabel is discussed.
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The Relationship Among the Level of Serum Amyloid A, High‐Density Lipoprotein and Microalbuminuria in Patients With Familial Mediterranean Fever
Authors: Uslu Ali Ugur , Aydin Bahattin , Icagasıoğlu Ibrahim Serhat , Balta Sevket , Deveci Köksal , Alkan Filiz , Yıldız Gürsel , Sahin Ali 
Published: April 2016

BackgroundSerum amyloid A (SAA), which is produced in the liver, acts as an apoprotein of high‐density lipoprotein (HDL) accumulation in extracellular matrix of tissues and organs. SAA elevations play a significant role in the development of amyloidosis. Microalbuminuria (MAU) is the early period of amyloidosis in patients with familial Mediterranean fever (FMF). We assessed the association between SAA as an important factor for the development of amyloidosis in patients with FMF and cytokines, HDL, and MAU.MethodsA total of 40 FMF patients diagnosed with Tel‐Hashomer criteria and making regular follow‐up visits at the tertiary referral center from 2012 to 2013 were included in this study, besides 40 age‐ and sex‐matched individuals as controls.ResultsCompared with controls, FMF patients had higher SAA (25.20 ± 45.78 vs. 1.68 ± 0.63 ng/ml; P = 0.002). Also, FMF patients had higher MAU than controls (23.20 ± 39.86 vs. 9.40 ± 5.32 mg/day; P = 0.036). HDL was significantly lower in the patient group than in controls (39.35 ± 10.45 vs. 47.82 ± 15.31 mg/dl; P = 0.023). Interleukin‐1 beta (IL‐1), IL‐6, and tumor necrosis factor alpha (TNF‐α) levels were higher in the FMF group than in controls (P < 0.0001, P = 0.009, P = 0.003, respectively).ConclusionsOur results suggest that IL‐1, IL‐6, TNF‐α, SAA, and HDL may serve as markers of subclinical inflammation in FMF patients. Due to increased plasma HDL levels, antiinflammatory and antioxidant effects may elevate in FMF patients.
Pharmacokinetic Properties of Nintedanib in Healthy Volunteers and Patients With Advanced Cancer
Authors: Dallinger Claudia , Trommeshauser Dirk , Marzin Kristell , Liesener Andre , Kaiser Rolf , Stopfer Peter 
Published: April 2016

AbstractNintedanib, a triple angiokinase inhibitor, has undergone clinical investigation for the treatment of solid tumors and idiopathic pulmonary fibrosis. Nintedanib (Vargatef®) plus docetaxel is approved in the EU for the treatment of patients with adenocarcinoma non‐small cell lung cancer (NSCLC) after first‐line chemotherapy, and as monotherapy (Ofev®) in the United States and EU for the treatment of patients with idiopathic pulmonary fibrosis. Pharmacokinetics (PK) of nintedanib after oral single and multiple doses and intravenous (IV) administration were assessed using 3 data sets: (1) an absolute bioavailability trial that enrolled 30 healthy volunteers; (2) a pooled data analysis of 4 studies that enrolled a total of 107 healthy volunteers; and (3) a pooled data analysis of 4 studies that enrolled a total of 149 patients with advanced cancer. In the absolute bioavailability trial of healthy volunteers, nintedanib showed a high total clearance (geometric mean 1390 mL/min) and a high volume of distribution at steady state (Vss = 1050 L). Urinary excretion of IV nintedanib was about 1% of dose; renal clearance was about 20 mL/min and therefore negligible. There was no deviation from dose proportionality after IV administration in the dose range tested. Absolute bioavailability of oral nintedanib (100 mg capsule) relative to IV dosing (4‐hour infusion, 6 mg) was slightly below 5%. Nintedanib was quickly absorbed after oral administration. It underwent rapid and extensive first‐pass metabolism and followed at least biphasic disposition kinetics. In advanced cancer patients, steady state was reached at the latest at 7 days for twice‐daily dosing. Nintedanib's PK was time‐independent; accumulation after repeated administration was negligible.