bluuebunny/crossref_metadata_2025_split huggingface dataset:
ChemInform Abstract: Coordination Chemistry of the Lamellar MPS3 Materials: Metal‐Ligand Cleavage as the Source of an Unusual "Cation‐Transfer" Intercalation Process.
Authors: CLEMENT R. , GARNIER O. , JEGOUDEZ J. 
Published: May 2016

AbstractAlthough the MPS3 layers (M: Mn, Cd, Zn, Fe) are made up of infinite arrays of P282′ units coordinated to the M" cations, the metal ‐ ligand (M ‐ S) bonding still exhibits enough lability to allow the M" cations to jump, under very mild conditions, from intra‐ toward interlamellar sites (or the opposite) and even to be removed from the material, provided a suitable cation is available to intercalate the lattice and maintain electrical neutrality.
ChemInform Abstract: Atom Transfer and Chelate Fragmentation Reactions of Bis(cyclopentadienyl)titanium Thiophosphoryls.
Authors: ZANK G. A. , RAUCHFUSS T. B. 
Published: May 2016

AbstractThe compound (II) reacts with 1 or 2 equiv. of O2 to give the six‐ or seven‐membered heterocycles (I) or (III) (space group PI, Z=2).
ChemInform Abstract: Dioxomolybdenum(VI)‐Substituted 2,6‐Pyridinedimethanol Complexes: New Five‐ Coordinate Species.
Authors: HAWKINS J. M. , DEWAN J. C. , SHARPLESS K. B. 
Published: May 2016

AbstractThe pyridinediol (IIa), whose utility as a new C2 symmetric chiral ligand was explored, was prepared in a single pot from (I) by two successive lithiation and pivalaldehyde trap cycles.
ChemInform Abstract: Synthesis of Benzylidene‐bridged Bisqientacarbonyltungsten) Complexes by Thermolysis of Terminal Benzylidenepentacarbonyltungsten Complexes.
Authors: FISCHER H. , ZEUNER S. , ACKERMANN K. , SCHMID J. 
Published: May 2016

AbstractThermolysis of the terminal benzylidene‐Wcomplexes (I) in aliphatic, aromatic, or halogenated hydrocarbons gives the benzylidene‐bridged complexes (II) as well as cis‐ and trans‐stilbenes (III).
ChemInform Abstract: Manganese(II) Complexes of Polydentate Schiff Bases. Part 1. Synthesis, Characterization, Magnetic Properties, and Molecular Structure.
Authors: MABAD B. , CASSOUX P. , TUCHAGUES J.‐P. , HENDRICKSON D. N. 
Published: May 2016

AbstractThe potentially penta‐ or hexadentate Schiff base ligands result from the condensation of salicylaldehyde or its 5‐nitro derivative with diaminopropanol or tri‐ or tetraamines.
ChemInform Abstract: Synthesis of a Novel Metallocene: [2](2,5)‐p‐Benzoquino[0](1,1′)‐ferrocene[0]paracyclophane.
Authors: KASAHARA A. , SHIMIZU I. , OOKURA K. 
Published: May 2016

AbstractDie Herstellung der im Titel genannten Verbindung (VII) erfolgt ausgehend von dem Ferrocen (I).
ChemInform Abstract: Phosphinothioic Organylamidato Complexes [Et2P(S)NR]2Ni, Planar‐Tetrahedral Chelates with Metal‐Nitrogen ‐ Sulfur Chromophores.
Authors: FUCHS M. , KUCHEN W. , PETERS W. 
Published: May 2016

AbstractThe extremely moist‐sensitive title complexes (IV) are obtained by lithiation of the phosphinothioic amides (II), products from (I) and appropriate prim. amines, and followed reaction with Ni(II) halides with or without isolation of the intermediary Li amides (III).
ChemInform Abstract: Rapid, Reversible Heterolytic Cleavage of the Co‐Rh Bond in (CO)4Co‐Rh(CO)(PEt3)2.
Authors: ROBERTS D. A. , MERCER W. C. , GEOFFROY G. L. , PIERPONT C. G. 
Published: May 2016

AbstractThe title complex (II) results in high yield from the reaction of (I) with NaCo(CO)4.
ChemInform Abstract: Palladium‐Catalyzed Reaction of Enol Triflates with 1‐Alkynes.
Authors: CACCHI S. , MORERA E. , ORTAR G. 
Published: May 2016

AbstractDie Alkylierung von Acetylenen (I) mit den Steroid‐Enoltriflaten (II) gelingt in Gegenwart von Bis‐(triphenylphosphin)‐pal1adiumdiacetat, wobei ein Zusatz von Kupfer(I)‐iodid die Reaktion bereits bei Raumtemperatur ermöglicht.
ChemInform Abstract: Partially Modified retro‐inverso Peptide Analogs: [pGlu6, Phe7psi(NH‐CO)Phe8]Substance P (6‐11), Synthesis and Biological Activity.
Authors: CHOREV M. , YAION M. , WORMSER U. , LEVIAN‐TEITELBAUM D. , GILON C. , SELINGER Z. 
Published: May 2016

AbstractThe title analogue (VIII) of the substance P (IXa) related C‐terminal hexapeptide (IXb) is synthesized as shown in the scheme.
ChemInform Abstract: Synthesis of a Putative Subtype Specific Antigenic Heptapeptide from Escherichia coli K88 ad Protein Fimbriae.
Authors: MELDAL M. 
Published: May 2016

AbstractThe title heptapeptide ester (VIIb) covering the amino acid sequence of the region 213‐219 of E. coli K88 ad protein fimbriae is synthesized by conventional stepwise assembly methods starting from the amino acid derivatives (I) and (II).
ChemInform Abstract: Design and Synthesis of Antagonists of Substance P.
Authors: FOLKERS K. , ROSELL S. , CHU J.‐Y. , LU L.‐A. , TANG P.‐F. L. , LJUNGQVIST A. 
Published: May 2016

AbstractThe known antagonist (IIa) (Spantide) which is an analogue of substance P (I) serves as reference antagonist for the design of 47 new peptides ‐ e.g. (IIb), (IIc), (III)‐(V) ‐ toward the goal of more potent inhibitors.
ChemInform Abstract: 3‐Tigloylazadirachtol (Tigloyl = 2‐Methylcrotonoyl), an Insect Growth Regulating Constituent of Azadirachta indica.
Authors: KLENK A. , BOKEL M. , KRAUS W. 
Published: May 2016

AbstractDem Desacetylazadirachtinol wird aufgrund von 1H‐ und 13C‐NMR‐Daten die Struktur (I) der im Titel genannten Verbindung zugeordnet.
ChemInform Abstract: Syntheses of Cyclic Decapeptides with Four Ornithyl Residues Related to Gramicidin S.
Authors: ANDO S. , NISHIKAWA H. , TAKIGUCHI H. , IZUMIYA N. 
Published: May 2016

AbstractThe title cyclopeptides (VIII) related to Gramicidin S (IX) are synthesized as shown in the scheme in order to investigate the contributions of an increase in the basic amino acid residues and of configurations of phenylalanyl and prolyl residues toward antibacterial activity.
ChemInform Abstract: Synthesis of 2β‐Azidomethylpenicillin‐1,1‐dioxides and 3β‐Azido‐3‐methylcepham‐1,1‐dioxides‐
Authors: MICETICH R. G. , MAITI S. N. , SPEVAK P. , TANAKA M. , YAMAZAKI T. , OGAWA K. 
Published: May 2016

AbstractDie Synthese der im Titel genannten Verbindungen (X) und (XI) erfolgt aus 6‐Aminopenicillansäure (I) gemäß Formelschema.
ChemInform Abstract: Microbial Approach to the Practical Monofluorinated Chiral Synthons.
Authors: KITAZUME T. , SATO T. , KOBAYASHI T. , LIN J. T. 
Published: May 2016

AbstractDurch mikrobiologische Hydrolyse mit einer Vielzahl von Lipasen und Cellulasen werden aus den fluorierten Malonestern (I) die optisch aktiven Halbester (II) hergestellt.
Efficient Inhibition of Telomerase by Nickel–Salophen Complexes
Authors: Lecarme Laureline , Prado Enora , De Rache Aurore , Nicolau‐Travers Marie‐Laure , Gellon Gisèle , Dejeu Jérôme , Lavergne Thomas , Jamet Hélène , Gomez Dennis , Mergny Jean‐Louis , Defrancq Eric , Jarjayes Olivier , Thomas Fabrice 
Published: May 2016

AbstractFour nickel(II)–salophen complexes containing alkyl‐imidazolium chains connected at the ortho or meta positions were prepared: N,N′‐bis(2‐hydroxy‐4‐methyl‐3H‐imidazol‐1‐iumbenzylideneamino)phenylenediamine (1), N,N′‐bis(2‐hydroxy‐3‐methyl‐3H‐imidazol‐1‐iumbenzylideneamino)phenylenediamine (2), N,N′‐bis(2‐hydroxy‐3‐methyl‐3H‐imidazol‐1‐iumbenzylideneamino)methyl‐3H‐imidazol‐1‐iumphenylenediamine (3), and N,N′‐bis(2‐hydroxy‐4‐methyl‐3H‐imidazol‐1‐iumbenzylideneamino)methyl‐3H‐imidazol‐1‐iumphenylenediamine (4). They protect G‐quadruplex DNA (G4‐DNA) against thermal denaturation and show KA values in the range of 7.4×105 to 4×107 m−1 for G4‐DNA models. Complex 4 exhibits an IC50 value of 70 nm for telomerase inhibition.
Structure and Dynamics of Water/Methanol Mixtures at Hydroxylated Silica Interfaces Relevant to Chromatography
Authors: Gupta Prashant Kumar , Meuwly Markus 
Published: May 2016

AbstractThe spectroscopy and dynamics of water/methanol (MeOH) mixtures at hydroxylated silica surfaces is investigated from atomistic simulations. The particular focus is on how the structural dynamics of MeOH changes when comparing surface‐bound and MeOH in the bulk. From analyzing the frequency frequency correlation functions it is found that the dynamics on the picosecond time scale differs by almost a factor of two. While the relaxation time is 2.0 ps for MeOH in the bulk solvent it is considerably slowed‐down to 3.5 ps for surface‐bound MeOH. Surface‐adsorbed MeOH molecules reside there for several nanoseconds and their H‐bonds are strongly oriented towards the surface‐OH groups. These results are of particular relevance for chromatographic systems where the solvent may play a central role in their function. The present simulations suggest that surface‐sensitive spectroscopic techniques should be useful in better characterizing such heterogeneous systems and provide detailed insight into solvent dynamics and structure relevant in chromatographic applications.
Application of sediment toxicity identification evaluation techniques to a site with multiple contaminants
Authors: Bailey Howard C. , Curran Catherine A. , Arth Peter , Lo Bonnie P. , Gossett Rich 
Published: May 2016

Abstract

Sediment toxicity identification evaluations (TIEs) are conducted to determine causes of adverse effects observed in whole-sediment toxicity tests. However, in multiple contaminant scenarios, it is problematic to partition contributions of individual contaminants to overall toxicity. Using data from a site with multiple inputs and contaminants of concern, the authors describe a quantitative approach for the TIE process by tracking toxicity units to determine whether all toxicity is accounted for. The initial step established the level of toxicity associated with the whole sediment and then partitioned sources of toxicity into general contaminant classes (e.g., ammonia, metals, nonpolar organic compounds). In this case, toxicity was largely the result of nonpolar organics, so the sediments were extracted and the extracts added back into dilution water and tested to confirm recovery of toxicity. Individual fractions were then generated using a solvent gradient and tested for toxicity. Fractions of interest were evaluated with gas chromatography/mass spectrometry to identify specific constituents associated with toxicity. Toxicity units associated with these constituents were then evaluated to determine probable associations with cause and whether all toxicity was accounted for. The data indicated that toxicity was associated with 2 contaminant classes, representing legacy compounds and contaminants of emerging concern, with the contribution of each varying across the site. Environ Toxicol Chem 2016;35:2456–2465. © 2016 SETAC
Effects of single and combined heavy metals and their chelators on aphid performance and preferences
Authors: Stolpe Clemens , Müller Caroline 
Published: May 2016

Abstract

When present at elevated levels in the environment, heavy metals are toxic for most organisms. However, so-called hyperaccumulator plants tolerate heavy metals and use chelators for their internal long-distance transport. Thus, phloem-sucking insects may come in contact with the chelated metals. In the present study, the effects of individual and combined heavy metals, zinc (Zn) and cadmium (Cd), as well as of common chelators, nicotianamine and phytochelatin, were investigated on the performance, preferences, and metal accumulation of the generalist aphid Myzus persicae, using artificial diets. Added Zn increased aphid growth, whereas Cd reduced the survival of aphids. Chelators had neither protective nor negative effects on aphids. The combination of the 2 heavy metals in chelated or nonchelated form caused a potentiation effect that led to an extinction of the aphids within less than 2 wk, before they could reproduce. Both Cd and Zn accumulated in the aphids, indicating a possible biomagnification. In choice assays, aphids preferred diets amended with Zn with or without nicotianamine compared to a control diet. In contrast, a Cd-containing diet led to neither attraction nor aversion. The present study provides insight into how mixtures of heavy metals and their chelators influence the life history of a generalist aphid. The results have implications for the use of phytoremediation to remove heavy metals from contaminated soils. Environ Toxicol Chem 2016;35:3023–3030. © 2016 SETAC
Research Opportunities for Neural Networks: The Case for Credit
Authors: Trinkle Brad S. , Baldwin Amelia A. 
Published: May 2016

SummaryThis article identifies research opportunities in the use of artificial neural networks in credit scoring and related business intelligence situations, particularly as they have been emerging in the global economy. In the literature review, particular attention is paid to commercial lending credit risk assessment and consumer credit scoring. Investors and auditors need models that can predict whether a customer will stay viable. Lenders must manage their credit risk to maximize profits and cash flow, while minimizing losses. As the global economic recession continues, investors are tightening their investment belts and need models that help them make better investment decisions, while lenders must strengthen lending practices and better identify both good and bad credit risks. Artificial neural networks may help firms improve their credit model development, and thereby their credit decisions and profitability. Such technology may also help improve development in emerging economies. Copyright © 2016 John Wiley & Sons, Ltd.
Stability and Reorganization of α′‐Crystals in Random l/d‐Lactide Copolymers
Authors: Di Lorenzo Maria Laura , Androsch René 
Published: May 2016

The isotropic melt of poly(l‐lactic acid) (PLLA) and random l/d‐lactide copolymers with 2% and 4% d‐isomer co‐units in the chain has been crystallized at 90 °C, which leads to growth of α′‐crystals. The maximum melting temperature of the α′‐crystals is around 150 °C in case of the homopolymer, and decreases by about 10 and 15 K in the random copolymers containing 2% and 4% d‐isomer co‐units, respectively. Analysis of the stability of the α′‐crystals requires suppression of formation of α‐structure, which is achieved by fast heating using a fast scanning chip calorimeter. For the PLLA homopolymer, the critical heating rate above which the α′/α‐transition is completely suppressed is around 30 K s–1, which significantly decreases in the copolymers due to the presence of d‐isomer co‐units. The slower kinetics of the melting‐recrystallization process in such random l/d‐lactide copolymers is explained by the required segregation of the chain defects.
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A Solvent‐Based Strategy for Tuning the Internal Structure of Metallo‐Folded Single‐Chain Nanoparticles
Authors: Basasoro Senda , Gonzalez‐Burgos Marina , Moreno Angel J. , Verso Federica Lo , Arbe Arantxa , Colmenero Juan , Pomposo José A. 
Published: May 2016

Controlling the spatial distribution of catalytic sites in metallo‐folded single‐chain nanoparticles (SCNPs) is a first step toward the rational design of improved catalytic soft nano‐objects. Here an unexplored pathway is reported for tuning the internal structure of metallo‐folded SCNPs. Unlike the conventional SCNP synthesis in good solvent (protocol I), the proposed new route (protocol II) is based on the use of amphiphilic random copolymers and transfer, after SCNP formation, from selective to good (nonselective) solvent conditions. The size and morphology of the SCNPs obtained by the two protocols, and the corresponding spatial distribution of the catalytic sites, have been determined by combining results from size exclusion chromatography with triple detection, small‐angle X‐ray scattering and molecular dynamics (MD) simulations. Remarkably, the use of these protocols allows the tuning of the internal structure of the metallo‐folded SCNPs, as supported by MD simulations results. While the conventional protocol I yields a homogeneous distribution of the catalytic sites in the SCNP, these are arranged into clusters in the case of protocol II.image
Approximations for heavily loaded G/GI/n + GI queues
Authors: Liu Yunan , Whitt Ward , Yu Yao 
Published: May 2016

AbstractMotivated by applications to service systems, we develop simple engineering approximation formulas for the steady‐state performance of heavily loaded G/GI/n+GI multiserver queues, which can have non‐Poisson and nonrenewal arrivals and non‐exponential service‐time and patience‐time distributions. The formulas are based on recently established Gaussian many‐server heavy‐traffic limits in the efficiency‐driven (ED) regime, where the traffic intensity is fixed at ρ > 1, but the approximations also apply to systems in the quality‐and‐ED regime, where ρ > 1 but ρ is close to 1. Good performance across a wide range of parameters is obtained by making heuristic refinements, the main one being truncation of the queue length and waiting time approximations to nonnegative values. Simulation experiments show that the proposed approximations are effective for large‐scale queuing systems for a significant range of the traffic intensity ρ and the abandonment rate θ, roughly for ρ > 1.02 and θ > 2.0. © 2016 Wiley Periodicals, Inc. Naval Research Logistics 63: 187–217, 2016
Hybrid poly(lactic acid)/nanocellulose/nanoclay composites with synergistically enhanced barrier properties and improved thermomechanical resistance
Authors: Trifol Jon , Plackett David , Sillard Cecile , Szabo Peter , Bras Julien , Daugaard Anders E 
Published: May 2016

AbstractPoly(lactic acid) (PLA)‐based hybrid nanocomposites (PLA, nanoclay and nanocellulose) were prepared by reinforcing neat PLA with commercially available nanoclay (Cloisite C30B) and nanocellulose, in the form of either partially acetylated cellulose nanofibres (CNFs) or nanocrystalline cellulose. Composites with 1 or 5 wt% of nanocellulose, in combination with 1, 3 and 5 wt% of nanoclay, were prepared, and their barrier properties were investigated. It was found that the combination of clay and nanocellulose clearly resulted in synergistic behaviour in terms of the oxygen transmission rate (OTR) through a reduction of up to 90% in OTR and a further reduction in the water vapour transmission rate of up to 76%. In addition, the nanocomposite films showed improved thermomechanical resistance and improved crystallisation kinetics while maintaining high film transparency. This makes the hybrid PLA/CNF/C30B nanocomposites a very promising material for food packaging applications. © 2016 Society of Chemical Industry
Implementation of Actigraphy in Acute Traumatic Brain Injury (TBI) Neurorehabilitation Admissions: A Veterans Administration TBI Model Systems Feasibility Study
Authors: Towns Stephanie J. , Zeitzer Jamie , Kamper Joel , Holcomb Erin , Silva Marc A. , Schwartz Daniel J. , Nakase‐Richardson Risa 
Published: May 2016

AbstractBackgroundSleep problems and disorders are prevalent in patients with traumatic brain injury (TBI) and are associated with negative outcomes. Incidence varies because of challenges including differences in assessment methods, particularly in the acute stages of recovery when patients are cognitively impaired and unable to complete traditional self‐report methods. Actigraphy (ACG) recently has been validated in the acute TBI rehabilitation setting and may serve as a superior method of assessing sleep‐wake patterns at this stage of recovery. Although a few studies with small sample sizes have described the use of ACG, none have described feasibility and implementation protocols.ObjectiveTo describe the feasibility and implementation protocol of ACG to evaluate sleep‐wake patterns and white‐light exposure data in patients with acute TBI during inpatient rehabilitation. Sleep‐wake patterns and light exposure data are presented to characterize the sample using these methods to inform future research.DesignRetrospective study.SettingAcute inpatient rehabilitation unit at a Veterans' Affairs Polytrauma Rehabilitation Center.ParticipantsVeterans (age ≥18 years) admitted to inpatient rehabilitation and enrolled in the Traumatic Brain Injury Model Systems study who were admitted and discharged in the calendar year 2013.MethodsVeterans underwent actigraph watch placement as soon as possible after admission. Records from the calendar year 2013 were reviewed to determine the number of admissions that met study criteria and what percentage of those patients had 3 days of continuous ACG data collected. The barriers to successful watch placement in this population were reviewed. Average sleep, light, and wake data from available records were collected for the study sample.Main Outcome MeasurementsPercentage of patients who met study criteria and who had 72 hours of continuous ACG data collected. The barriers to successful watch placement in this population were reviewed. Average sleep, light, and wake data from available records were collected.ResultsOf 22 eligible Traumatic Brain Injury Model Systems admissions, 3 consecutive nights of ACG data were successfully obtained for 86% (n = 19) of the sample. Barriers to data collection included patient access due to abbreviated lengths of stay, staff availability for ACG placement, and data collection protocols to prevent loss of data in Veterans' Affairs computing systems.ConclusionsACG is feasible for collecting data about sleep, wake, and light exposure in patients who are in acute TBI inpatient rehabilitation settings.Level of EvidenceIII
ROBUST STABILITY, STABILISATION AND H-INFINITY CONTROL FOR PREMIUM-RESERVE MODELS IN A MARKOVIAN REGIME SWITCHING DISCRETE-TIME FRAMEWORK
Authors: Yang Lin , Pantelous Athanasios A. , Assa Hirbod 
Published: May 2016

AbstractThe premium pricing process and the medium- and long-term stability of the reserve policy under conditions of uncertainty present very challenging issues in relation to the insurance world. Over the last two decades, applications of Markovian regime switching models to finance and macroeconomics have received strong attention from researchers, and particularly market practitioners. However, relatively little research has so far been carried out in relation to insurance. This paper attempts to consider how a linear Markovian regime switching system in discrete-time could be applied to model the medium- and long-term reserves and the premiums (abbreviated here as the P-R process) for an insurer. Some recently developed techniques from linear robust control theory are applied to explore the stability, stabilisation and robustH∞-control of a P-R system, and the potential effects of abrupt structural changes in the economic fundamentals, as well as the insurer's strategy over a finite time period. Sufficient linear matrix inequality conditions are derived for solving the proposed sub-problems. Finally, a numerical example is presented to illustrate the applicability of the theoretical results.
EXISTENTIALLY CLOSED MODELS IN THE FRAMEWORK OF ARITHMETIC
Authors: ADAMOWICZ ZOFIA , CORDÓN-FRANCO ANDRÉS , LARA-MARTÍN F. FÉLIX 
Published: May 2016

AbstractWe prove that the standard cut is definable in each existentially closed model ofIΔ0+ exp by a (parameter free) П1–formula. This definition is optimal with respect to quantifier complexity and allows us to improve some previously known results on existentially closed models of fragments of arithmetic.