bluuebunny/crossref_metadata_2025_split huggingface dataset:
Reversing the Triazole Topology in a Cyclam‐Triazole‐Dye Ligand Gives a 10‐Fold Brighter Signal Response to Zn2+ in Aqueous Solution
Authors: Ast Sandra , Rutledge Peter J. , Todd Matthew H. 
Published: October 2012

AbstractThe fluorescence response of a set of cyclam‐triazole‐dye ligands is controlled by the appended dye, but simple reversal of the triazole topology affords a novel probe for Zn2+ with a longer fluorescence lifetime and higher fluorescence quantum yield upon Zn2+ binding (<τ> = 2.0 ns, Φf = 0.76).
Bis(azidophenyl)phosphole Building Block for Extended π‐Conjugated Systems
Authors: Weymiens Wannes , Hartl František , Lutz Martin , Slootweg J. Chris , Ehlers Andreas W. , Mulder Jos R. , Lammertsma Koop 
Published: October 2012

AbstractNovel bis(azidophenyl)phosphole sulfide building block 8 has been developed to give access to a plethora of phosphole‐containing π‐conjugated systems in a simple synthetic step. This was explored for the reaction of the two azido moieties with phenyl‐, pyridyl‐ and thienylacetylenes, to give bis(aryltriazolyl)‐extended π‐systems, having either the phosphole sulfide (9) or the phosphole (10) group as central ring. These conjugated frameworks exhibit intriguing photophysical and electrochemical properties that vary with the nature of the aromatic end‐group. The λ3‐phospholes 10 display blue fluorescence (λem = 460–469 nm) with high quantum yield (ΦF = 0.134–0.309). The radical anion of pyridyl‐substituted phosphole sulfide 9b was observed with UV/Vis spectroscopy. TDDFT calculations on the extended π‐systems showed some variation in the shape of the HOMOs, which was found to have an effect on the extent of charge transfer, depending on the aromatic end‐group. Some fine‐tuning of the emission maxima was observed, albeit subtle, showing a decrease in conjugation in the order thienyl < phenyl < pyridyl. These results show that variations in the distal ends of such π‐systems have a subtle but significant effect on photophysical properties.
Implications of global climate change for natural resource damage assessment, restoration, and rehabilitation
Authors: Rohr Jason R. , Johnson Philip , Hickey Christopher W. , Helm Roger C. , Fritz Alyce , Brasfield Sandra 
Published: October 2012

Abstract
Various international and national regulations hold polluters liable for the cleanup of released hazardous substances and the restoration/rehabilitation of natural resources to preincident baseline conditions, a process often referred to as natural resource damage assessment and restoration (NRDAR). Here, we, the authors, describe how global climate change (GCC) will challenge each of the steps of NRDAR processes and offer eight recommendations to improve these processes in light of GCC. First, we call for a better understanding of the net effects of GCC and contaminants on natural resources. Second, we urge facilities and environmental managers to plan for GCC-related factors that are expected to increase the probability of contaminant releases. Third, we suggest re-evaluating definitions of baseline and reference conditions given that GCC will alter both their trajectories and variability. Fourth, we encourage long-term monitoring to improve the quantification of baseline conditions that will change as climate changes. This will enhance the accuracy of injury assessments, the effectiveness of restoration, and the detection of early warning signs that ecosystems are approaching tipping points. Fifth, in response to or anticipation of GCC, restoration projects may need to be conducted in areas distant from the site of injury or focused on functionally equivalent natural resources; thus, community involvement in NRDAR processes will be increasingly important. Sixth, we promote using NRDAR restoration projects as opportunities to mitigate GCC-related impacts. Seventh, we recommend adaptive management approaches to NRDAR processes and communication of successes and failures widely. Finally, we recommend focusing on managing the stressors that might be exacerbated by GCC, such as pollution and habitat loss, because there is a long history of successfully mitigating these stressors, which can be more easily managed on local scales than climate change. We believe that adoption of these recommendations will lead to a more efficacious NRDAR process, despite the challenges posed by climate change. Environ. Toxicol. Chem. 2013;32:93–101. © 2012 SETAC
Synthesis of 15‐, 16‐, and 17‐Membered Bis‐C‐Pivot Macrocycles Consisting of N2O2 Donor‐Type Crown Ethers and Dialkyl Phosphonates
Authors: Koçak Selen Bilge , Üçkardeş Hale 
Published: October 2012

ABSTRACTBis‐C‐pivot macrocycles containing aminophosphonate functions (5–10) have been synthesized and characterized by elemental analysis, FTIR, MS, 1D 1H, 13C and 31P NMR, and 2D HETCOR techniques. The phosphorylation reaction of dibenzo‐bis‐imino crown ethers (1–4) with dimethyl and diethyl phosphite used here has the potential to provide bis‐C‐pivot macrocycles (5–10), which possess two stereogenic C‐centers giving rise to diastereoisomers (meso and racemic). Detailed spectral assignments for the meso and racemic forms of the compounds are reported on the basis of chemical shifts, signal intensities, spin–spin coupling constants, and splitting patterns. The bis‐C‐pivot macrocycles (5–10) may serve as a potential new class of supramolecular host molecules.
Monetary crisis: A 2012 update
Authors: Wolf Fran , Tackett James A. 
Published: October 2012

AbstractThe authors of this article, both professors of finance, have taken a new look at the ongoing monetary crisis. The trends they see are very sobering. They predict that 2012 will be viewed as a pivotal point in history—when rational business planning, based on macroeconomic trends and data, became nearly impossible. The normal business cycle has been replaced by a sustained pattern of high unemployment and abnormally slow growth—combined with a lurking threat of either a full‐blown depression or hyperinflation. And political gridlock in Washington and Europe means governments cannot develop a long‐term solution. To help companies safely navigate these choppy seas, the authors carefully evaluate what is knowable, what businesses should expect, and what should be done. © 2012 Wiley Periodicals, Inc.
Treasurers under investigation
Authors: Shapiro David 
Published: October 2012

AbstractQuestionable actions by treasurers lie at the heart of many financial scandals and investigations. Cash and liquid assets—a primary concern of treasurers—have inherently high risk. So it is not surprising that the risks of treasury fraud and mismanagement require special design, monitoring, and auditing—all with continuous diligence. The author takes a look at some recent cases where treasurers have been under investigation, and reveals insights about how to prevent such disasters. © 2012 Wiley Periodicals, Inc.
Excess corporate cash: Follow the money
Authors: Le Guyader Louis P. 
Published: October 2012

AbstractAmerican corporations reportedly hold in excess of $1.7 trillion in cash as of July 2012. Can the broader concept of liquidity help us understand the current situation better? Since no benchmarks exist to de‐termine excess liquidity on a corporate balance sheet, why do balance sheets still make most investors and analysts believe that corporations are holding too much cash? And the author makes a surprising revelation: Much of the cash buildup is concentrated in only 10 companies. © 2012 Wiley Periodicals, Inc.
Cash and fraud: A destructive alliance revisited
Authors: Burnett Royce D. , Margolis Donna M. , Elder Jennifer H. 
Published: October 2012

AbstractBy all accounts, today's business environment is a “perfect storm” for fraud. Today's economic climate places more emphasis on success—no matter how it is achieved. Many business leaders and managers begin to rationalize away any wrongdoings as completely appropriate. And computer technology has often made fraud easier. As a result of all this, self‐serving and inappropriate decisions may now routinely be made without any without fear of scrutiny. In layman's terms, this is a workable definition of fraud. The authors of this article take a close look at this troubling situation and discuss what to do about it. © 2012 Wiley Periodicals, Inc.
Kinetic study of in situ normal and AGET atom transfer radical copolymerization of n–butyl acrylate and styrene: Effect of nanoclay loading and catalyst concentration
Authors: Ahmadian‐Alam Leila , Haddadi‐Asl Vahid , Hatami Leila , Roghani‐Mamaqani Hossein , Salami‐Kalajahi Mehdi 
Published: October 2012

AbstractThe effect of clay nanolayers and catalyst concentration on the kinetics of atom transfer radical copolymerization of styrene and butyl acrylate initiated by activators generated by electron transfer (AGET initiation system) or an alkyl halide (normal initiation system) was studied. Monomer conversion was studied by attenuated total reflection–Fourier transform infrared spectroscopy, and also proton nuclear magnetic resonance (1H NMR) spectroscopy was utilized to evaluate the heterogeneity in the composition of poly(styrene‐co‐butyl acrylate) chains. A decrease in the copolymerization rate of styrene and butyl acrylate in the presence of clay platelets was observed since clay layers confine the accessibility of monomer and growing radical chains. Considering the linear first‐order kinetics of the polymerization, successful AGET and normal atom transfer radical polymerization (ATRP) in the presence of clay nanolayers were carried out. Consequently, poly(styrene‐co‐butyl acrylate) chains with narrow molecular weight distribution and low polydispersity indices (1.13–1.15) were obtained. The linearity of ln([M]0/[M]) versus time and molecular weight distribution against conversion plots indicates that the proportion of propagating radicals is almost constant during the polymerization, which is the result of insignificant contribution of termination and transfer reactions. Controlled synthesis of poly(styrene‐co‐butyl acrylate)/clay is implemented with the diminishing catalyst concentration of copper(I) bromide/N,N,N′,N′′,N′′‐pentamethyl diethylene triamine without affecting the copolymerization rate of normal ATRP. © 2012 Wiley Periodicals, Inc. Int J Chem Kinet 44: 789–799, 2012
Tailored Optical Microsystems for Photonic Applications
Authors: Forrer Martin , Gisler Thomas 
Published: October 2012

AbstractInnovation in applications such as white‐light illumination, fluorescence excitation and industrial metrology strongly relies on the availability of compact optical microsystems with application‐driven and integrated photonic functions of the diode laser. In these optical microsystems multiple lasers and photonic functions are used to obtain the desired results by the combination of specific advantages of diode lasers. Optical microsystem technology allows to target specific applications by joining various optical functions of diode lasers, such as combining multiple wavelengths into free‐space or fiber‐coupled outputs or driving by analog or digital electronic signals from external sources.
The use of DDAVP in children with bleeding disorders
Authors: Ben‐Ami Tal , Revel‐Vilk Shoshana 
Published: October 2012

AbstractDesmopressin (1‐deamino‐8‐D‐arginine vasopressin, DDAVP) has been used in children with von Willebrand disease (VWD) and Hemophilia A for almost 35 years. This treatment has substantially lowered the number of children exposed to human plasma derived products, with a good safety profile, and at very low cost. The response to DDAVP has been shown to be associated with age, baseline factor level, and genetic mutations. A DDAVP challenge test is recommended. DDAVP has also been used to prevent and treat bleeding episodes in children with platelet function defects and other disorders associated with bleeding tendency. Pediatr Blood Cancer 2012; 60: S41–S43. © 2012 Wiley Periodicals, Inc.
What we have learned from inherited platelet disorders
Authors: Israels Sara J. , Rand Margaret L. 
Published: October 2012

AbstractIdentifying the molecular basis of inherited platelet disorders has contributed to our understanding of normal platelet physiology. Many of these conditions are rare, but close observation of clinical and laboratory phenotype, and subsequent identification of the abnormal protein and mutated gene, have provided us with unique opportunities to examine specific aspects of platelet biogenesis and function. Phenotype–genotype association studies are providing a detailed understanding of the structure and function of platelet membrane receptors, the biogenesis and release of platelet granules, and the assembly of the cytoskeleton. Genetic polymorphisms contributing to decreased or increased platelet adhesion and activation may translate into increased clinical risks for bleeding or thrombosis. More recently, genome wide association studies have identified new genes contributing to the variation in normal platelet function. Pediatr Blood Cancer 2012; 60: S2–S7. © 2012 Wiley Periodicals, Inc.
Ultrasonic Nebulisation Extraction: Extraction Column Coupled with Liquid Phase Microextraction for Analysis of the Volatile Organic Compounds in Foeniculum vulgare Mill. as a Model
Authors: Yu Cui , Yang Jinjuan , Wang Yeqiang , Wei Hongmin , Zhang Hanqi , Shi Yuhua 
Published: October 2012

ABSTRACTIntroductionAs the concentrations of the volatile organic compounds are always low and their matrix is complex, it is necessary to pre‐concentrate the volatile organic compounds before analysis. Ultrasonic nebulisation extraction with a self‐made extraction column coupled with liquid phase microextraction is developed for the extraction of active constituents from spices.ObjectiveTo develop an environmentally compatible extraction technique for the preparation and analysis of the volatile organic compounds from spices.MethodThe sample is placed into the nebulisation vessel of a nebulisation humidifier and a purging gas is blown through the vessel continuously. When the nebuliser is switched on, a ultrasonic fountain is formed by ultrasonic vibration and the target analytes are transferred from the sample solution to the vapour phase and then concentrated on the extraction solvent in the extraction column. After extraction for 3 min and allowed to stand upright for 5 min, the extract is analysed by GC and GC–MS. Different methods of comparison can then be carried out.ResultsOptimum conditions were found to be: 30 μL of n‐tetradecane as the extraction solvent, a flow rate for the purging gas of 40 mL/min, a purging time of 3 min and a standing time was 5 min. The contents of constituents in the extract obtained by the proposed method were close to those obtained by hydrodistillation (HD). Moreover, the proposed method achieves higher enrichment efficiency.ConclusionA method was developed for the extraction of volatile organic compounds from spices. The study has shown that it is a fast and environmentally sustainable technique. Copyright © 2012 John Wiley & Sons, Ltd.
A flexible docking approach for prediction of T cell receptor–peptide–MHC complexes
Authors: Pierce Brian G. , Weng Zhiping 
Published: October 2012

AbstractT cell receptors (TCRs) are immune proteins that specifically bind to antigenic molecules, which are often foreign peptides presented by major histocompatibility complex proteins (pMHCs), playing a key role in the cellular immune response. To advance our understanding and modeling of this dynamic immunological event, we assembled a protein–protein docking benchmark consisting of 20 structures of crystallized TCR/pMHC complexes for which unbound structures exist for both TCR and pMHC. We used our benchmark to compare predictive performance using several flexible and rigid backbone TCR/pMHC docking protocols. Our flexible TCR docking algorithm, TCRFlexDock, improved predictive success over the fixed backbone protocol, leading to near‐native predictions for 80% of the TCR/pMHC cases among the top 10 models, and 100% of the cases in the top 30 models. We then applied TCRFlexDock to predict the two distinct docking modes recently described for a single TCR bound to two different antigens, and tested several protein modeling scoring functions for prediction of TCR/pMHC binding affinities. This algorithm and benchmark should enable future efforts to predict, and design of uncharacterized TCR/pMHC complexes.
Structural stratification of Sr1 − xCaxRuO3 thin films: Influence of aging process
Authors: Młynarczyk Marcin , Szot Krzysztof , Poppe Ulrich , Breuer Uwe , Mi Shaobo , Psiuk Bronisław , Görlich Edward A. , Tomala Krzysztof , Waser Rainer 
Published: October 2012

AbstractEpitaxial Sr1 − xCaxRuO3 thin films were grown on SrTiO3 and LaAlO3 substrates with use of high pressure dc‐sputtering. A number of complementary methods: X‐ray diffraction (XRD), Rutherford backscattering (RBS), high resolution transmission electron microscopy (HRTEM), time‐of‐flight secondary ion mass spectrometry (ToF‐SIMS), atomic force microscopy (AFM), and X‐ray photoemission spectroscopy (XPS) was used to characterize both in‐depth and lateral structure features.Fully strained thin films were obtained with a tetragonal lattice cell pronouncedly elongated in an out‐of‐plane direction, independent on details of deposition conditions. Growth types varied from a single layer‐by‐layer two‐dimensional (2D) mode to three‐dimensional (3D) spiral precipitations of different size. Interface layer between the substrate and the thin film as well as its surface suffer from considerable deviations from nominal stoichiometry, basically resulting from Ru deficiency. Samples stored under normal conditions undergo further compositional change of the surface region. The process of aging, extended over several days, involves incorporation of water and carbon dioxide present in an ambient atmosphere and a subsequent surface reconstruction. For samples deposited on SrTiO3 the valence band is indicative of a metallic character of the sample interior regardless of Ca content. The heterogeneous in‐depth profile of the thin films is extremely important in fabrication of nanodevices, especially those based on ultrathin layers. magnified image
Examination summary of Sr0.8Ca0.2RuO3 thin films, deposited on SrTiO3, methods used and essential conclusions.
Recent progress in the understanding of exciton dynamics within phosphorescent OLEDs
Authors: Reineke Sebastian , Baldo Marc A. 
Published: October 2012

AbstractExcited states of organic molecules (excitons) are the heart of any organic electroluminescent device. They mediate the conversion of injected charges – electrons and holes – into photons. Phosphorescent emission originating from triplet excitons is especially important, as it is to date the only general route to enable unity charge‐to‐photon conversion efficiencies. In this paper, we discuss the key aspects of excitons, following the excited state lifecycle. First, we review fundamentals of singlet and triplet exciton formation in organic semiconductors, followed by a discussion of concepts that aim to alter the singlet‐to‐triplet formation rates to enable higher electroluminescence yields in the fluorescence manifold. Subsequently, we focus on the exciton distribution within the organic semiconductor material during its lifetime. The processes involved ultimately determine organic light‐emitting diode (OLED) performance and are especially key in the development of concepts for white emission, where precise balance of the exciton between different emitter species control the emitted color. We close this paper with discussion of non‐linear effects at high excitation levels that, to date, limit the high brightness efficiency of phosphorescent OLEDs.
Optical study of defects in nano‐diamond films grown in linear antenna microwave plasma CVD from H2/CH4/CO2 gas mixture
Authors: Varga M. , Remes Z. , Babchenko O. , Kromka A. 
Published: October 2012

AbstractWe present the study on optical quality of nanocrystalline diamond (NCD) films with submicron grain size grown from H2/CH4/CO2 gas mixture on alkali‐free borosilicate glass substrates using the commercially available large area linear antenna pulsed microwave plasma chemical vapor deposition (CVD) system. The NCD films were characterized by Raman spectroscopy, atomic force microscopy, and scanning electron microscopy. The NCD layers are optically transparent and show low optical scattering. The defect states measured by photo‐thermal deflection spectroscopy (PDS) and dual beam photocurrent spectroscopy (DBPS) are dominated by the non‐diamond carbon phases localized at grain boundaries with the characteristic shape of the optical absorption spectrum and the photo‐ionization threshold in a near infrared region. The sp2‐related defect density increases for samples grown at higher pressure. From DBPS we estimate the concentration of substitutional nitrogen to be below 10 ppm. The optimized NCD layers show the photoionization threshold in UV region above 5 eV and a broad exponential tail below 5 eV.
Theoretical investigation of gas phase ethanol–(water)n(n= 1–5) clusters and comparison with gas phase pure water clusters (water)n(n= 2–6)
Authors: Han Guangzhan , Ding Yanli , Qian Ping , Zhang Chao , Song Wei 
Published: October 2012

AbstractVarious properties (such as optimal structures, structural parameters, hydrogen bonds, natural bond orbital charge distributions, binding energies, electron densities at hydrogen bond critical points, cooperative effects, and so on) of gas phase ethanol–(water)n(n= 1–5) clusters with the change in the number of water molecules have been systematically explored at the MP2/aug‐cc‐pVTZ//MP2/6‐311++G(d,p) computational level. The study of optimal structures shows that the most stable ethanol‐water heterodimer is the one where exists one primary hydrogen bond (OH…O) and one secondary hydrogen bond (CH …O) simultaneously. The cyclic geometric pattern formed by the primary hydrogen bonds, where all the molecules are proton acceptor and proton donor simultaneously, is the most stable configuration for ethanol–(water)n(n= 2–4) clusters, and a transition from two‐dimensional cyclic to three‐dimensional structures occurs atn= 5. At the same time, the cluster stability seems to correlate with the number of primary hydrogen bonds, because the secondary hydrogen bond was extremely weaker than the primary hydrogen bond. Furthermore, the comparison of cooperative effects between ethanol–water clusters and gas phase pure water clusters has been analyzed from two aspects. First of all, for the cyclic structure, the cooperative effect in the former is slightly stronger than that of the latter with the increasing of water molecules. Second, for the ethanol–(water)5and (water)6structure, the cooperative effect in the former is also correspondingly stronger than that of the latter except for the ethanol–(water)5book structure. © 2012 Wiley Periodicals, Inc.
Separation Membranes Constructed from Inorganic Nanofibers by Filtration Technique
Authors: Yu Qing , Mao Yiyin , Peng Xinsheng 
Published: October 2012

ABSTRACT:Nanofibrous materials have been extensively investigated and used as building blocks for various nanodevices, due to their unique one‐dimensional structures. Recently, novel membranes constructed by using nanofibers have been reported by various techniques. Here, we will give a critical review of our recent research on the general solution processed unique sub‐3 nm thin metal hydroxide nanofibers and their application for constructing ultrathin separation membranes via filtration technique. The superior separation performances of these membranes hold the promising future for pressure‐driven membrane separation processes.