bluuebunny/crossref_metadata_2025 huggingface dataset:
Effects of postdepositional processing on nitrogen isotopes of nitrate in the Greenland Ice Sheet Project 2 ice core
Authors: Geng Lei , Zatko Maria C. , Alexander Becky , Fudge T. J. , Schauer Andrew J. , Murray Lee T. , Mickley Loretta J.
Published: June 2015

Records of ice core nitrate and its isotopes hold the potential to assess past atmospheric conditions regarding NOx and oxidant levels. However, relating such records to past atmospheric conditions requires a site‐specific understanding of the postdepositional processing of snow nitrate. We report δ15N(NO3−) records from the Greenland Ice Sheet Project 2 (GISP2) ice core over major climate transitions. Model calculations and comparison with records of parameters influencing UV‐driven postdepositional processing of snow nitrate suggest that the observed variability in GISP2 δ15N(NO3−) over major climate transitions is primarily driven by changes in the degree of postdepositional loss of snow nitrate. Estimates of the fractional loss of snow nitrate is (16–23)% in the Holocene and (45–53)% in the glacial period, suggesting a (41 ± 32)% lower nitrate depositional flux to Greenland during the glacial period relative to the Holocene.
Potential of bias correction for downscaling passive microwave and soil moisture data
Authors: Kornelsen Kurt C. , Cosh Michael H. , Coulibaly Paulin
Published: June 2015

Passive microwave satellites such as Soil Moisture and Ocean Salinity or Soil Moisture Active Passive observe brightness temperature (TB) and retrieve soil moisture at a spatial resolution greater than most hydrological processes. Bias correction is proposed as a simple method to disaggregate soil moisture to a scale more appropriate for hydrological applications. Temporal stability of soil moisture and TB was demonstrated at the Little Washita and Little River Experimental Watersheds using in situ observations and the Community Microwave Emissions Model. Decomposition of the mean square difference (MSD) between the watershed average soil moisture and TB showed that bias was a major contributor to differences between watershed average and local‐scale soil moisture and TB, particularly at sites with high MSD. The mean RMSD between watershed average and local soil moisture was 0.04 m3 m−3 and 0.06 m3 m−3 at Little River and Little Washita, respectively. Following a simple bias correction the RMSD was reduced to 0.03 m3 m−3 at both sites. Considering multiple incidence angles at both horizontal and vertical polarization, bias correction of watershed average TBV reduced the RMSD by approximately 75% and 45% and TBH RMSD by 68% and 36% for Little River and Little Washita, respectively, at all incidence angles. Therefore, at subsatellite grid scale, bias correction can be considered a viable technique for downscaling passive microwave observations and soil moisture retrievals.
Catchment coevolution: A useful framework for improving predictions of hydrological change?
Authors: Troch Peter A. , Lahmers Tim , Meira Antonio , Mukherjee Rajarshi , Pedersen Jonas W. , Roy Tirthankar , Valdés‐Pineda Rodrigo
Published: June 2015

The notion that landscape features have coevolved over time is well known in the Earth sciences. Hydrologists have recently called for a more rigorous connection between emerging spatial patterns of landscape features and the hydrological response of catchments, and have termed this concept catchment coevolution. In this paper we review recent literature on this subject and attempt to synthesize what we have learned into a general framework that would improve predictions of hydrologic change. We first present empirical evidence of the interaction and feedback of landscape evolution and changes in hydrological response. From this review it is clear that the independent drivers of catchment coevolution are climate, geology, and tectonics. We identify common currency that allows comparing the levels of activity of these independent drivers, such that, at least conceptually, we can quantify the rate of evolution or aging. Knowing the hydrologic age of a catchment by itself is not very meaningful without linking age to hydrologic response. Two avenues of investigation have been used to understand the relationship between (differences in) age and hydrological response: (i) one that is based on relating present landscape features to runoff processes that are hypothesized to be responsible for the current fingerprints in the landscape; and (ii) one that takes advantage of an experimental design known as space‐for‐time substitution. Both methods have yielded significant insights in the hydrologic response of landscapes with different histories. If we want to make accurate predictions of hydrologic change, we will also need to be able to predict how the catchment will further coevolve in association with changes in the activity levels of the drivers (e.g., climate). There is ample evidence in the literature that suggests that whole‐system prediction of catchment coevolution is, at least in principle, plausible. With this imperative we outline a research agenda that implements the concepts of catchment coevolution for building a holistic framework toward improving predictions of hydrologic change.
Aerobic Oxidation Catalysis with Air or Molecular Oxygen and Ionic Liquids
Authors: Gunasekaran Nanjappan
Published: June 2015

Selective aerobic oxidation reactions are most important and challenging transformations in both academic research and the chemical industry. Over the past decade, ionic liquids have gained recognition in the context of green organic synthesis as they are not only possible environmentally benign solvents but also serve as a liquid support or catalyst in various chemical processes. Hence, in recent years, there has been a growing interest in the development of aerobic oxidation reactions combined with ionic liquids and molecular oxygen or air which has led to the improvement of green catalytic systems capable of achieving high selectivity and yields. Thus, this review aims to give an overview of the most important advances made by in the field of aerobic oxidation reactions in combination with either molecular oxygen or air as oxidant and ionic liquids as solvent, liquid support or catalyst.

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Low Pressure Asymmetric Hydrogenation of Quinolines using an Annulated Planar Chiral N‐Ferrocenyl NHC‐Iridium Complex
Authors: John Joshni , Wilson‐Konderka Cody , Metallinos Costa
Published: June 2015

Annulated planar chiral N‐ferrocenylimidazolones, obtained by acid‐mediated cyclization of diphenylmethanol derivatives, may be reduced with diisobutylaluminium hydide (DIBAL‐H) to afford a series of surprisingly stable and isolable hemiaminal ether aminals. Two of these derivatives can be oxidized with triphenylcarbenium tetrafluoroborate to imidazolinium salt precursors of N‐heterocyclic carbenes (NHCs). Deprotonation of these salts in the presence of (cyclooctadiene)iridium chloride dimer {[Ir(COD)Cl]2} provides chiral coordination complexes bearing N‐ferrocenyl NHCs with unique rigid tetracyclic frameworks. Cationic analogues of these complexes catalyze the asymmetric hydrogenation of 2‐substituted quinolines under very mild conditions (1 mol% complex, 1 mol% PPh3, 1–5 atm H2, toluene, 25 °C) in appreciable enantioselectivity (up to 90:10 er). The sensitivity of the hydrogenation process to changes in the phosphine additive suggests that an outer‐sphere reaction mechanism may be involved, as proposed for a related achiral NHC‐Ir complex reported by Crabtree and co‐workers.

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Iron‐Catalyzed Esterification of Benzyl CH Bonds to Form α‐Keto Benzyl Esters
Authors: He Yue , Mao Jincheng , Rong Guangwei , Yan Hong , Zhang Guoqi
Published: June 2015

An atom‐economic and efficient non‐precious metal‐catalyzed esterification of benzyl CH bonds has been developed. A variety of α‐keto benzyl esters have been accessed in good yields through the reactions between benzyl derivatives and benzoylformic acids using iron trifluoride as a catalyst in the presence of di‐tert‐butyl peroxide under an inert atmosphere. This strategy provides a straightforward access to linearly expanded α‐keto benzyl esters. A plausible reaction mechanism is proposed.

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Ultrastructural Evidence of Serous Gland Polymorphism in the Skin of the Tungara Frog Engystomops pustulosus (Anura Leptodactylidae)
Authors: Delfino Giovanni , Giachi Filippo , Malentacchi Cecilia , Nosi Daniele
Published: June 2015

Three types of serous products were detected in the syncytial cutaneous glands of the leptodactylid tungara frog, Engystomops pustulosus: type Ia, granules with wide halos and variable density cores; type Ib, high density granules without halos; and type II, vesicles containing a finely dispersed product. Ultrastructural evidence revealed that these products were manufactured by different serous gland types and excluded that they represented different steps in the secretory cycle of a single gland type. Indeed, secretory maturation affecting the products released by the Golgi apparatus proceeded through different mechanisms: confluence (vesicles), interactions between syncytium and secretory product (type Ib granules), and a combination of both processes (type Ia granules). In conclusion, this investigation of secretory maturation was shown to be a suitable approach for the identification of serous gland polymorphism and demonstrated that the tungara frog belongs to the minority of anuran species characterized by this peculiar morpho‐functional trait. Anat Rec, 298:1659–1667, 2015. © 2015 Wiley Periodicals, Inc.
Iron(III)‐Selective Chelation‐Enhanced Fluorescence Sensing for In Vivo Imaging Applications
Authors: Guo Lin E. , Liu Xin Yi , Wang Huan , Chen Qiu Ling , Wang Guang Ke , Luo Kaijun , Mi Qi Li , Zhou Ying , Zhang Jun Feng
Published: June 2015

A “turn‐on” pattern Fe3+‐selective fluorescent sensor was synthesized and characterized that showed high fluorescence discrimination of Fe3+ over Fe2+ and other tested ions. With a 62‐fold fluorescence enhancement towards Fe3+, the probe was employed to detect Fe3+ in vivo in HeLa cells and Caenorhabditis elegans, and it was also successfully used to elucidate Fe3+ enrichment and exchange infected by innexin3 (Inx3) in hemichannel‐closed Sf9 cells.
Functional replacement of the Saccharomyces cerevisiae fatty acid synthase with a bacterial type II system allows flexible product profiles
Authors: Fernandez‐Moya Ruben , Leber Christopher , Cardenas Javier , Da Silva Nancy A.
Published: June 2015

The native yeast type I fatty acid synthase (FAS) is a complex, rigid enzyme, and challenging to engineer for the production of medium‐ or short‐chain fatty acids. Introduction of a type II FAS is a promising alternative as it allows expression control for each discrete enzyme and the addition of heterologous thioesterases. In this study, the native Saccharomyces cerevisiae FAS was functionally replaced by the Escherichia coli type II FAS (eFAS) system. The E. coli acpS + acpP (together), fabB, fabD, fabG, fabH, fabI, fabZ, and tesA were expressed in individual S. cerevisiae strains, and enzyme activity was confirmed by in vitro activity assays. Eight genes were then integrated into the yeast genome, while tesA or an alternate thioesterase gene, fatB from Ricinus communis or TEII from Rattus novergicus, was expressed from a multi‐copy plasmid. Native FAS activity was eliminated by knocking out the yeast FAS2 gene. The strains expressing only the eFAS as de novo fatty acid source grew without fatty acid supplementation demonstrating that this type II FAS is able to functionally replace the native yeast FAS. The engineered strain expressing the R. communis fatB thioesterase increased total fatty acid titer 1.7‐fold and shifted the fatty acid profile towards C14 production, increasing it from <1% in the native strain to more than 30% of total fatty acids, and reducing C18 production from 39% to 8%. Biotechnol. Bioeng. 2015;112: 2618–2623. © 2015 Wiley Periodicals, Inc.
Know what to expect when attorneys come to your campus
Authors: McCarthy Claudine
Published: June 2015

Whether or not you think attorneys have a place in your institution's conduct system, wouldn't you love to know what those attorneys are actually thinking so you can better prepare for the inevitable?
Evaluate mandatory medical leave policies in light of Quinnipiac settlement
Authors: Gomez Cynthia
Published: June 2015

A recent settlement between Quinnipiac University and a former student who was forced to take medical leave after seeking treatment for her depression offers critical lessons for colleges and universities with mandatory leave policies.
Was student wrongfully suspended for off‐campus conduct?
Authors: Gelpi Aileen
Published: June 2015

Mark Stapor was a graduate student at Wagner College. He also served as an assistant coach on one of its athletics teams.
Biosynthesis of Epimers C2 and C2a in the Gentamicin C Complex
Authors: Gu Yawen , Ni Xianpu , Ren Jun , Gao Huiyuan , Wang Da , Xia Huanzhang
Published: June 2015

Gentamicin is a broad‐spectrum aminoglycoside antibiotic widely used to treat life‐threatening bacterial infections. The gentamicin C complex consists of gentamicin C1, gentamicin C1a, and epimers gentamicin C2 and gentamicin C2a. At present there is a generally accepted pathway of gentamicin biosynthesis, except for detailed understanding of the epimerization process involving gentamicins C2 and C2a. Here we have investigated the biosynthesis of these epimers. JI‐20B—an intermediate in the gentamicin biosynthetic pathway—and its epimer JI‐20Ba were generated by in‐frame deletion within genP, which encodes a phosphotransferase that catalyzes the first step of 3′,4′‐bisdehydroxylation in gentamicin biosynthesis. GenB1 and GenB2 are aminotransferases with different substrate specificities and enantioselectivities. JI‐20Ba, containing a 6′S chiral amine, a precursor of gentamicin C2a, was synthesized from G418 by GenQ/GenB1 through sequential oxidation/transamination at C‐6′. GenQ/GenB2 catalyzed the synthesis of JI‐20B, containing a 6′R chiral amine, a precursor of gentamicin C2, from G418. GenB2 catalyzed the epimerization of JI‐20Ba/JI‐20B and of gentamicins C2a/C2.
Crosstalk of Nataxazole Pathway with Chorismate‐Derived Ionophore Biosynthesis Pathways in Streptomyces sp. Tü 6176
Authors: Cano‐Prieto Carolina , Losada Armando A. , Braña Alfredo F. , Méndez Carmen , Salas José A. , Olano Carlos
Published: June 2015

Streptomyces sp. Tü 6176, producer of cytotoxic benzoxazoles AJI9561, nataxazole, and 5‐hydroxy‐nataxazole, has been found to produce a fourth benzoxazole, UK‐1. All derive from 3‐hydroxy‐anthranilate synthesized by the nataxazole biosynthesis machinery. However, biosynthesis of AJI9561, nataxazole, and 5‐hydroxy‐nataxazole requires 6‐methylsalicylic acid also provided by nataxazole biosynthesis pathway, while biosynthesis of UK‐1 utilizes salicylic acid produced by a salicylate synthase from the coelibactin biosynthesis pathway. This clearly suggests crosstalk between nataxazole and coelibactin pathways. Overproduction of UK‐1 was obtained by growing a nataxazole non‐producing mutant (lacking 6‐methylsalicylate synthase, NatPK) in a zinc‐deficient medium. Furthermore, Streptomyces sp. Tü 6176 also produces the siderophore enterobactin in an iron‐free medium. Enterobactin production can be induced in an iron‐independent manner by inactivating natAN, which encodes an anthranilate synthase involved in nataxazole production. The results indicate a close relationship between nataxazole, enterobactin and coelibactin pathways through the shikimate pathway, the source of their common precursor, chorismate.
Comparative Studies of SrCo1−xTaxO3−δ (x=0.05–0.4) Oxides as Cathodes for Low‐Temperature Solid‐Oxide Fuel Cells
Authors: Li Mengran , Zhou Wei , Zhu Zhonghua
Published: June 2015

Ways to address the sluggish ORR kinetics of cathodes have become an area of great interest and significance for the deployment of solid‐oxide fuel cells (SOFCs) that operate at lower temperatures. A series of Sr(Co,Ta)O3−δ oxides with multilevel substitutions of tantalum (Ta5+) ions have been studied as cathodes for SOFCs in terms of their crystal structures, electrochemical properties, and durability. The effects of doping tantalum on the oxygen reduction reaction (ORR) have been explored and discussed. Not only can the crystallite structure of SrCoO3−δ be stabilized by incorporating Ta5+ at elevated temperatures, but the activity towards ORR can also be significantly enhanced by doping relatively small amounts of Ta5+ (≤20 mol %), which is probably due to the improved oxygen surface exchange that arises from the positive effects of Ta5+ dopants on the oxidation states of cobalt ions.
Solution and Gas‐Phase Acidities of all‐trans (all‐E) Retinoic Acid: An Experimental and Computational Study
Authors: Abboud José‐Luis M. , Koppel Ilmar A. , Uggerud Einar , Leito Ivo , Koppel Ivar , Sekiguchi Osamu , Kaupmees Karl , Saame Jaan , Kütt Karl , Mishima Masaaki
Published: June 2015

Retinoic acid is of fundamental biological importance. Its acidity was determined in the gas phase and in acetonitrile solution by means of mass spectrometry and UV/Vis spectrophotometry, respectively. The intrinsic acidity is slightly higher than that of benzoic acid. In solution, the situation is opposite. The experimental systems were described theoretically applying quantum chemical methods (wave function theory and density functional theory). This allowed the determination of the molecular structure of the acid and its conjugate base, both in vacuo and in solution, and for computational estimates of its acidity in both phases.
Phase Coexistence in a Dynamic Phase Diagram
Authors: Gentile Luigi , Coppola Luigi , Balog Sandor , Mortensen Kell , Ranieri Giuseppe A. , Olsson Ulf
Published: June 2015

Metastability and phase coexistence are important concepts in colloidal science. Typically, the phase diagram of colloidal systems is considered at the equilibrium without the presence of an external field. However, several studies have reported phase transition under mechanical deformation. The reason behind phase coexistence under shear flow is not fully understood. Here, multilamellar vesicle (MLV)‐to‐sponge (L3) and MLV‐to‐Lα transitions upon increasing temperature are detected using flow small‐angle neutron scattering techniques. Coexistence of Lα and MLV phases at 40 °C under shear flow is detected by using flow NMR spectroscopy. The unusual rheological behavior observed by studying the lamellar phase of a non‐ionic surfactant is explained using 2H NMR and diffusion flow NMR spectroscopy with the coexistence of planar lamellar–multilamellar vesicles. Moreover, a dynamic phase diagram over a wide range of temperatures is proposed.
Hydrogen Production from Aqueous Solutions of Urea with Ruthenium‐based Catalysts
Authors: Furukawa Shinya , Suzuki Ryohei , Ochi Kazuyoshi , Yashima Tatsuaki , Komatsu Takayuki
Published: June 2015

Invited for this month′s cover is the group of Takayuki Komatsu at Tokyo Institute of Technology. The image shows that urea molecules can be effectively converted into H2, N2, and CO2 in the presence of water and Ru/Al2O3 as catalyst. The Communication itself is available at 10.1002/cssc.201500112.
Validation of a flow cytometry‐based assay to assess C5aR receptor occupancy on neutrophils and monocytes for use in drug development
Authors: Quadrini Karen J. , Hegelund Anne Charlotte , Cortes Kasia E. , Xue Chengsen , Kennelly Susan M. , Ji Hong , Högerkorp Carl‐Magnus , Mc Closkey Thomas W.
Published: June 2015

The C5a/C5a receptor (C5aR) pathway, a key component in the proinflammatory immune response, is an attractive therapeutic target since its dysregulation is implicated in a variety of autoimmune and inflammatory disorders. The objective of the present study was to validate a receptor occupancy (RO) assay for a human anti‐C5aR monoclonal antibody drug candidate, NNC0215‐0384 (NN0384). This flow cytometry‐based assay measures the percentage (%), median fluorescence intensity (MFI), and molecules of equivalent soluble fluorochrome (MESF) of NN0384 binding to its target cells, neutrophils and monocytes, in whole blood from normal healthy donors and rheumatoid arthritis (RA) patients with clinically active disease. The validation parameters assessed included postcollection and postprocessing sample stability, intra‐ and interassay precision, an analyst‐to‐analyst comparison, a comparison of normal healthy donor and RA patient sample postcollection stability, and a laboratory‐to‐laboratory comparison and assay transfer. The cumulative results indicate that the assay was reproducible, met the clearly defined acceptance criteria for the validation parameters tested, and was transferable to another laboratory. In conclusion, this RO assay is suitable for use to accrue pharmacodynamic biomarker data in a multicenter, global clinical trial. © 2015 International Clinical Cytometry Society
Waste Tire Pyrolysis for the Production of Light Hydrocarbons over Layered Catalysts
Authors: Leng Shuai , Wang Xinde , Wang Jianguo , Liu Yue'e , Ma Fengyun , Zhong Xing
Published: June 2015

The pyrolysis of tire waste has attracted widespread attention because valued chemicals (for example aromatic, benzene‐based compounds) can be produced during this process. In this work, a layered catalyst was applied to waste tire pyrolysis to obtain high selectivity for light hydrocarbons (benzene, toluene, xylene, and ethylbenzene). The process was performed in fixed‐bed reactor. The layered catalyst was composed of separate layers of HZSM‐5 (a zeolite‐based catalyst) in the bottom layer and ZnO in the top layer mixed with the tire waste. The layered catalysts showed better performance in the selective production of light hydrocarbons (30.23 %), compared to mixed catalysts and ZnO alone. HZSM‐5 played an important part in secondary cracking of pyrolysis vapors to produce light hydrocarbons. HZMS‐5 could be reused several times and achieve high selectivity of light hydrocarbons over mixture catalysts of regenerated and fresh HZSM‐5 (1:1), and this is proposed a feasible way to achieve successive production.
From Matriculation to Engagement on Campus: Delineating the Experiences of Latino/a Students at a Public Historically Black University
Authors: Palmer Robert T. , Maramba Dina C. , Ozuna Allen Taryn , Goings Ramon B.
Published: June 2015

Drawing from a larger study on Asian Americans and Latino/as at HBCUs, this chapter focuses exclusively on the Latino/a students, sheds light on factors that motivated Latino/a students to attend a historically Black university, and discusses the on‐campus experiences of these students. The chapter provides insight into what HBCUs might do to help increase a sense of belonging among Latino/a students.
Three New Phenyl Ether Derivatives from Aspergillus carneus HQ889708
Authors: He Ping , Tian Sha‐Sha , Xu Yan , Yu He , Ji Yan‐Nan , Zhu Hua‐Jie , Li Jian‐Heng
Published: June 2015

Three new phenyl ether derivatives, 3‐hydroxy‐5‐(3‐hydroxy‐5‐methylphenoxy)benzoic acid (1), 3,4‐dihydroxy‐5‐(3‐hydroxy‐5‐methylphenoxy)benzoic acid (2), 3‐[3‐hydroxy‐5‐(hydroxymethyl)phenoxy]‐5‐methylphenol (3), and three known compounds 4–6 were obtained from the fermentation broth of Aspergillus carneus HQ889708, which was isolated from sea water from South China Sea. The structures of compounds 1–3 were established on the basis of spectroscopic methods including ESI‐MS and NMR. Compounds 4–6 were reported before as synthesized products, herein, they are reported from nature for the first time.
Palladium Supported on Zinc Oxide Nanoparticles as Efficient Heterogeneous Catalyst for SuzukiMiyaura and Hiyama Reactions under Normal Laboratory Conditions
Authors: Hosseini‐Sarvari Mona , Razmi Zahra
Published: June 2015

Nanoscale Pd supported on ZnO was prepared by a facile coprecipitation method. Pd/ZnO Nanoparticles were characterized by using XRD, TEM, SEM, XPS, BET specific surface area measurement, and thermogravimetric analysis. This catalyst was used as novel and excellent heterogeneous catalyst for ligand‐free CC bond‐formation particularly in the synthesis of unsymmetrical biaryls by SuzukiMiyaura and Hiyama cross‐coupling reactions under air atmosphere without use of any Ar or N2 flow. The catalyst can be recovered and recycled several times without marked loss of activity.
Characterization of Adducts Formed in the Reactions of Methylglyoxal and Malonaldehyde with Lysine and Histidine Derivatives
Authors: Pluskota‐Karwatka Donata , Pawłowska Agata
Published: June 2015

Glycation of biopolymers by α‐oxoaldehydes such as methylglyoxal is believed to play a major role in the complex pathologies associated with diabetes and metabolic diseases. To design strategies that could interfere with the endogenous production of such aldehydes or promote their detoxification or, alternatively, to develop therapeutic procedures that could inhibit the deleterious effects of the oxoaldehydes at the cellular level, it is important to characterize the wide spectrum of reactions between these compounds and biomolecules, and gain insight into their mechanisms. In this study, we investigated the reactivity of endogenous α‐oxoaldehyde, methylglyoxal, and of malonaldehyde towards amino acid derivatives, and we identified new adducts with Nα‐acetyllysine and Nα‐acetylhistidine. In addition, we showed that a structurally analogous adduct is also formed with the model peptide N‐acetylglycyllysine O‐methyl ester. The characterized compounds were most likely derived from the addition of the appropriate nucleophilic center of the studied biomolecules to the CC bond of the initially formed aldehyde conjugate. The resulted adducts contain an electrophilic β‐dicarbonyl moiety and could potentially be involved in the formation of DNAprotein or protein crosslinks.
Exploration of Quantitative StructureReactivity Relationships for the Estimation of Mayr Nucleophilicity
Authors: Latino Diogo A. R. S. , Pereira Florbela
Published: June 2015

Quantitative structurereactivity relationships (QSRRs) were investigated for the estimation of the Mayr nucleophilicity parameter N using data sets with 218 nucleophiles (solvent: CH2Cl2) and 88 compounds (solvent: MeCN) extracted from the Mayr's Database of Reactivity Parameters. The best predictions were observed for consensus models of random forests and associative neural networks, trained with empirical 2D and 3D CDK molecular descriptors, which yielded RMSE of 1.54 and 1.97 for independent test sets of the two solvent data sets, respectively. Compounds with silicon atoms were more difficult to predict, as well as classes of compounds with a reduced number of examples in the training set. The models' predictions were consistently more accurate than estimations simply based on the average of the N parameter within the class of the query compound. The possibility of calculating rate constants using the obtained models was also explored.
Sequential Monte Carlo Methods for Estimating Dynamic Microeconomic Models
Authors: Blevins Jason R.
Published: June 2015

This paper develops estimators for dynamic microeconomic models with serially correlated unobserved state variables using sequential Monte Carlo methods to estimate the parameters and the distribution of the unobservables. If persistent unobservables are ignored, the estimates can be subject to a dynamic form of sample selection bias. We focus on single‐agent dynamic discrete‐choice models and dynamic games of incomplete information. We propose a full‐solution maximum likelihood procedure and a two‐step method and use them to estimate an extended version of the capital replacement model of Rust with the original data and in a Monte Carlo study. Copyright © 2015 John Wiley & Sons, Ltd.
Analysis of cytotoxic effects of silver nanoclusters on human peripheral blood mononuclear cells ‘in vitro’
Authors: Orta‐García Sandra Teresa , Plascencia‐Villa Germán , Ochoa‐Martínez Angeles Catalina , Ruiz‐Vera Tania , Pérez‐Vázquez Francisco Javier , Velázquez‐Salazar J Jesús , Yacamán Miguel José , Navarro‐Contreras Hugo Ricardo , Pérez‐Maldonado Iván N.
Published: June 2015

The antimicrobial properties of silver nanoparticles (AgNPs) have made these particles one of the most used nanomaterials in consumer products. Therefore, an understanding of the interactions (unwanted toxicity) between nanoparticles and human cells is of significant interest. The aim of this study was to assess the in vitro cytotoxicity effects of silver nanoclusters (AgNC, < 2 nm diameter) on peripheral blood mononuclear cells (PBMC). Using flow cytometry and comet assay methods, we demonstrate that exposure of PBMC to AgNC induced intracellular reactive oxygen species (ROS) generation, DNA damage and apoptosis at 3, 6 and 12 h, with a dose‐dependent response (0.1, 1, 3, 5 and 30 µg ml–1). Advanced electron microscopy imaging of complete and ultrathin‐sections of PBMC confirmed the cytotoxic effects and cell damage caused by AgNC. The present study showed that AgNC produced without coating agents induced significant cytotoxic effects on PBMC owing to their high aspect ratio and active surface area, even at much lower concentrations (<1 µg ml–1) than those applied in previous studies, resembling what would occur under real exposure conditions to nanosilver‐functionalized consumer products. Copyright © 2015 John Wiley & Sons, Ltd.
Ocular Palatal Tremor Plus Dystonia: New Syndromic Association
Authors: Shaikh Aasef G. , Ghasia Fatema F. , DeLong Mahlon R. , Jinnah Hyder A. , Freeman Alan , Factor Stewart A.
Published: June 2015

Objective

Ocular palatal tremor (OPT) typically develops after a breach in the Guillian‐Mollaret triangle. We herein describe a variant of this syndrome in which dystonia is also present, hence called, here, ocular palatal tremor plus dystonia.

Methods

We assessed eye‐head movements and dystonia in 6 patients with ocular palatal plus dystonia.

Results

Among 6 patients with OPT, 2 had focal dystonia, 3 had multifocal dystonia, and 1 had generalized dystonia. The dystonia affected the upper extremities and neck in 4 patients, the lower extremities in 3, and the face in 2. Three of four cervical dystonia patients had head tremor. Two patients also had speech involvement. Lack of correlation between eye and head oscillations suggested that head oscillations were not compensatory or secondary to the eye oscillations and vice versa.

Conclusions

We describe a novel variant of OPT with dystonia. We speculate that in such a variant, the dystonia possibly could be a result of abnormal cerebellar outflow in patients with a breach in the Guillain‐Mollaret triangle.
Validating administrative records in post‐traumatic stress disorder
Authors: Abrams Thad E. , Vaughan‐Sarrazin Mary , Keane Terence M. , Richardson Kelly
Published: June 2015

There is insufficient data on the accuracy of administrative coding data (ACD) for post‐traumatic stress disorder (PTSD). Medical records were reviewed for (1) a diagnosis of PTSD; (2) treatment for PTSD. The records were compared against the Veterans Health Administration (VHA) data in order to determine the positive predictive value (PPV) and negative predictive value (NPV) of three commonly used approaches. The PPV and NPV varied according to the ACD approach. Relative to a medical records review, the ACD approach of one or two PTSD coded outpatient encounters had a PPV of 78% and an NPV of 91%; whereas the PPV was 97% and the NPV was 98% for three or more PTSD codes. For pharmacotherapy, the ACD approach with one or two codes for PTSD had a PPV of 33% (NPV = 93%), whereas three or more PTSD coded encounters improved the PPV to 85% (NPV = 100%). When using VHA data, we recommend tailoring the identification strategy according to the research aims. An ACD approach identifying one or more PTSD outpatient encounters should be considered sufficient for a diagnosis of PTSD. Assessments for PTSD associated pharmacotherapy require using an ACD approach that identifies veterans with the presence ≥ 3 outpatient PTSD encounters. Published 2015. This article is a U.S. Government work and is in the public domain in the USA.
Combination histamine and serotonin treatment after simulated childbirth injury improves stress urinary incontinence
Authors: Song Qi‐Xiang , Balog Brian M. , Lin Dan Li , Jiang Hai‐Hong , Gurel Volkan , Spaulding James , Tobacyk Julia , McMichael John , Damaser Margot S.
Published: June 2015

Aims

Histamine and serotonin‐related pharmaceuticals have the potential to modulate micturition and continence. The aim of this study was to determine if treatment with histamine and/or serotonin improves stress urinary incontinence (SUI) in female rats.

Methods

Twenty‐six age‐matched female rats underwent pudendal nerve crush and vaginal distension (PNC + VD), to produce SUI. One week after injury, rats were treated subcutaneously with saline, histamine (1.1 μg), serotonin (2μg), or the combination of both twice daily for another week. A sham injured group received sham PNC + VD and were treated with saline (n = 7). Leak point pressure (LPP) testing with simultaneous external urethral sphincter (EUS) electromyography (EMG) was conducted 2 weeks after injury. The urethra was harvested for qualitative and quantitative histology. Data were analyzed with a one‐way ANOVA and Student‐Newman‐Keuls posthoc test with P < 0.05 indicating statistically significant differences between groups.

Results

Combination treatment significantly increased LPP after PNC + VD compared to injured sham treatment and treatment with either histamine or serotonin alone. Compared to injured sham treated rats, all three treatments significantly increased EUS EMG amplitude at both baseline and peak pressure and EUS EMG firing rate at peak pressure during LPP testing. There were more consistent urethral striated muscle fibers and thicker smooth and striated muscle with combination and histamine treatment. There was a statistically significant shift to a greater proportion of thicker collagen fibers in the urethra in serotonin and combination treated rats compared with injured sham treated rats.

Conclusions

Combination treatment was the most effective and may provide an effective therapy for SUI. Neurourol. Urodynam. 35:703–710, 2016. © 2015 Wiley Periodicals, Inc.
Turning Spiroketals Inside Out: A Rearrangement Triggered by an Enol Ether Epoxidation
Authors: Lorenc Chris , Saurí Josep , Moser Arvin , Buevich Alexei V. , Williams Antony J. , Williamson R. Thomas , Martin Gary E. , Peczuh Mark W.
Published: June 2015

Spiroketals organize small molecule structures into well‐defined, three‐dimensional configurations that make them good ligands of proteins. We recently discovered a tandem cycloisomerization–dimerization reaction of alkynyl hemiketals that delivered polycyclic, enol‐ether‐containing spiroketals. Here we describe rearrangements of those compounds, triggered by epoxidation of their enol ethers that completely remodel their structures, essentially turning them “inside out”. Due to the high level of substitution on the carbon skeletons of the substrates and products, characterization resorted to X‐ray crystallography and advanced computation and NMR techniques to solve the structures of representative compounds. In particular, a new proton‐detected ADEQUATE NMR experiment (1,1‐HD‐ADEQUATE) enabled the unequivocal assignment of the carbon skeleton of one of the new compounds. Solution of the structures of the representative compounds allowed for the assignment of product structures for the other compounds in two separate series. Both the rearrangement and the methods used for structural determination of the products are valuable tools for the preparation of characterization of new small molecule compounds.
Synthesis of highly nanoporous YBO3 architecture via a co‐precipitation approach and tunable luminescent properties
Authors: Liu Lili , Zhang Xianwen , Chaudhuri Jharna
Published: June 2015

We present a simple co‐precipitation method to prepare highly nanoporous YBO3 architecture using NaBO3 · 4H2O as a boric source and 600°C as the annealing temperature. The reaction was carried out under an aqueous condition without any organic solvent, surfactant, or catalysts. The prepared samples were characterized by powder X‐ray diffraction (PXRD), scanning electron microscopy (SEM), and transmission electron microscopy (TEM). The photoluminescence of doped‐nanoporous YBO3:Eu3+ was further investigated. It is expected that highly nanoporous YBO3 architecture can be an ideal candidate for applications in catalysis, adsorption, and optoelectronic devices. SCANNING 37:277–283, 2015. © 2015 Wiley Periodicals, Inc.
Enhancing Commuter Student Success: What's Theory Got to Do With It?
Authors: Jacoby Barbara
Published: June 2015

Theory helps us understand commuter students and develop environments, policies, and practices that enhance their educational experience.
Strategies for Assessing Commuter Students
Authors: Biddix J. Patrick
Published: June 2015

This chapter provides pragmatic suggestions for designing assessment projects focused on commuter students.
Fabrication of Chiral Materials via Self‐Assembly and Biomineralization of Peptides
Authors: Huang Zhehao , Che Shunai
Published: June 2015

With different scales of chirality, chiral materials have various particular properties and potential applications in many fields. Peptides are the fundamental building units of biological systems, and a variety of ordered functional nanostructures are produced through self‐assembly and biomineralization of peptides in nature. This Personal Account describes chiral silica materials fabricated by using amphiphilic peptides as building blocks. Three particular biomineralization approaches are described based on different kinds of geometry of amphiphilic peptides: the influence of the specific amino acid proline in the peptide sequence, the hydrophilicity of amphiphilic peptides, and different kinds of hydrophobic tails in amphiphilic peptides. These strategies are useful for designing peptides toward the bottom‐up synthesis of nanomaterials as well as improving the understanding of the mechanism of peptide self‐assembly.
Collective Responsibility in a Hollywood Standoff
Authors: Chant Sara Rachel ,   Philosophy Documentation Center
Published: June 2015

In this paper, I advance a counterexample to the collective agency thesis.
Lexical Individuation and Predicativism about Names
Authors: Gray Aidan ,   Philosophy Documentation Center
Published: June 2015

Predicativism about names—the view that names are metalinguistic predicates—has yet to confront a foundational issue: how are names represented in the lexicon? I provide a positive characterization of the structure of the lexicon from the point of view Predicativism. I proceed to raise a problem for Predicativism on the basis of that characterization, focusing on cases in which individuals have names which are spelled the same way but pronounced differently. Finally, I introduce two potential strategies for solving the problem, and offer reasons not to be optimistic about either.
Internationalization of Small Family Firms: The Influence of Family from a Socioemotional Wealth Perspective
Authors: Scholes Louise , Mustafa Michael , Chen Stephen
Published: June 2015

We explore the factors influencing the internationalization of small family firms. Based on interviews with six family firms in Singapore, we highlight the importance of (1) family harmony, (2) trust in external relationships, (3) social and business networks, and (4) organizational resources and capabilities in the internationalization process. We show how the socioemotional wealth factors of trust and harmony affect networking and resources, which in turn affect internationalization. We find that initial internationalization through exports is enabled through trust in family networks, but the typical family characteristics of a desire to maintain family harmony and distrust of outsiders have a negative impact on network creation and resource development, which constrains the extent to which the firm internationalizes beyond exporting. In order to move from the first stage (exports/similar markets) to the second stage (joint ventures/different markets) of internationalization, less emphasis on trust and family harmony accompanied by more emphasis on building external networks and resources may be necessary. We propose a new model of internationalization of family firms based on our findings. © 2015 Wiley Periodicals, Inc.
Efficiency of rehabilitation after acute myocardial infarction
Authors: Chen Hui‐Ming , Liu Chih‐Kuang , Chen Hui‐Wen , Shia Ben‐Chang , Chen Mingchih , Chung Chi‐Hsiang
Published: June 2015

The purpose of this study was to evaluate the recurrence rate and medical expenses of acute myocardial infarction (AMI) following inpatient cardiac rehabilitation. A total of 834 patients with AMI were divided into Group 1 (with inpatient cardiac rehabilitation) and Group 2 (without inpatient cardiac rehabilitation). The results showed that Group 1 had a lower AMI recurrence rate (a 0.640‐fold lower hazards ratio) than Group 2 [95% confidence interval (CI) = 0.197–1.863; p = 0.004]. Compared with the medical costs of Group 2, Group 1 also had lower medical costs (a 0.947‐fold lower hazards ratio) than Group 2 (95% CI = 0.934–0.981; p = 0.042). These findings have implications for the decision making of clinicians and health policymakers attempting to provide adequate services for patients with AMI.
Effect of sample size re‐estimation in adaptive clinical trials for Alzheimer's disease and mild cognitive impairment
Authors: Wang Guoqiao , Kennedy Richard E. , Cutter Gary R. , Schneider Lon S.
Published: June 2015

Introduction

The sample size re‐estimation (SSR) adaptive design allows interim analyses and resultant modifications of the ongoing trial to preserve or increase power. We investigated the applicability of SSR in Alzheimer's disease (AD) trials using a meta‐database of clinical studies.

Methods

Based on six studies, we simulated clinical trials using Alzheimer's Disease Assessment Scale‐cognitive subscale (ADAS‐Cog) as primary outcome. A single SSR based on effect sizes or based on variances was conducted at 6 months and 12 months. Resultant power improvement and sample size adjustments were evaluated.

Results

SSR resulted in highly variable outcomes for both sample size increases and power improvement. The gain in power after SSR varies by initial sample sizes, trial durations, and effect sizes.

Conclusions

SSR adaptive designs can be effective for trials in AD and mild cognitive impairment with small or medium initial sample sizes. However, SSR in larger trials (>200 subjects per arm) generates no major advantages over the typical randomized trials.
Neural and behavioral substrates of disorientation in mild cognitive impairment and Alzheimer's disease
Authors: Sousa Amber , Gomar Jesus J. , Goldberg Terry E. ,   for the Alzheimer's Disease Neuroimaging Initiative
Published: June 2015

Background

The neural and cognitive substrates of measures of orientation as used in clinical trials and examinations have not been comprehensively examined.

Methods

We studied 473 subjects diagnosed with mild cognitive impairment (MCI) and Alzheimer's disease (AD) at baseline in Alzheimer's Disease Neuroimaging Initiative. Regression analyses at baseline were conducted to find significant predictors of orientation score among cognitive, brain morphometry, and glucose metabolism measures. Mixed model longitudinal analysis was performed to examine consequences of orientation on functional decline, and Cox hazard models examined the risk of conversion to AD in the MCI group.

Results

In MCI and AD subjects, orientation was predicted by poorer neurocognitive performance on immediate and delayed episodic memory and attention and processing speed. Among magnetic resonance imaging measures, orientation was predicted by entorhinal cortex thickness, hippocampal volume, and inferior temporal cortex thickness. Glucose metabolism in both middle‐inferior temporal cortex and hippocampus were also predictive of orientation score. Functioning was significantly lower in disoriented subjects after 4 years of follow‐up, and MCI patients who also were disoriented showed a higher rate of conversion to AD with a hazard ratio of 1.5.

Conclusions

Orientation is associated with medial temporal lobe structure, temporal lobe glucose metabolism, and episodic memory function. In MCI individuals orientation was a risk factor for progression to AD, also associated with rapid functional decline and worse prognosis. Thus, orientation may serve as a surrogate for episodic memory in clinical examination. These results have direct implications for the use of orientation in MCI and AD clinical trials including ceiling effects in healthy controls and issues of redundancy with measures of memory, when both are used in composite scores.
The design and progress of a multidomain lifestyle intervention to improve brain health in middle‐aged persons to reduce later Alzheimer's disease risk: The Gray Matters randomized trial
Authors: Norton Maria C. , Clark Christine J. , Tschanz JoAnn T. , Hartin Phillip , Fauth Elizabeth B. , Gast Julie A. , Dorsch Travis E. , Wengreen Heidi , Nugent Chris , Robinson W. David , Lefevre Michael , McClean Sally , Cleland Ian , Schaefer Sydney Y. , Aguilar Sheryl
Published: June 2015

Introduction

Most Alzheimer's disease (AD) prevention studies focus on older adults or persons with existing cognitive impairment. This study describes the design and progress of a novel pilot intervention, the Gray Matters study.

Methods

This proof‐of‐concept randomized controlled trial tests an evidence‐based multidomain lifestyle intervention in 146 persons aged 40 to 64 years, in northern Utah. Data collectors were blinded to participants' randomization to treatment (n = 104) or control (n = 42). Intervention targeted physical activity, food choices, social engagement, cognitive simulation, sleep quality, and stress management, and uses a custom smartphone application, activity monitor, and educational materials. Secondary outcomes include biomarkers, body mass index, cognitive testing, and psychological surveys.

Results

Midway through the study, achievements include a 98.7% retention rate, a 96% rate of compliance with app data entry, and positive trends in behavioral change.

Discussion

Participants were empowered, learning that lifestyle might impact AD risk, exhibiting positive behavioral changes thus far.
Eating out of home and dietary adequacy in preschool children
Authors: Moreira Teresa , Severo Milton , Oliveira Andreia , Ramos Elisabete , Rodrigues Sara , Lopes Carla
Published: June 2015

The present study aims to describe dietary intake and dietary adequacy according to eating location in preschool children. A sub-sample of 2414 children from the Generation XXI birth cohort (Porto, Portugal), evaluated during the follow-up between 2009 and 2011, was included. Dietary intake was assessed by 3 d food diaries and four groups of children were defined according to the eating location: ‘Home’ ( ≥ 80 % of meals at home), ‘Other homes’, ‘Preschool’ and ‘Restaurants’. A dietary adequacy index was developed based on general recommendations for children; a higher score represents a better dietary adequacy. The comparison of nutrients and foods daily intake according to the eating location groups was performed by ANOVA and ANCOVA to adjust for potential confounders. Children classified in ‘Preschool’ group ate significantly more vegetables, fruit, bread and fish, and less meat, compared to children classified into the ‘Home’ group. Children classified in the ‘Restaurants’ group ate more cakes, salty snacks and fruit juices than children in ‘Home’ group; and less vegetables, dairy products and pasta/rice/potatoes. In ‘Restaurants’ children obtained the lowest mean score of the dietary adequacy index (15·5, 95 % CI 14·8, 16·3) and in ‘Preschool’ children had the highest mean score (18·3, 95 % CI 18·1, 18·4), corresponding to a better dietary adequacy. Preschools seem to have a relevant role in promoting the intake of healthy foods in preschool children. The consumption in restaurants/coffee shops seems to contribute to energy-dense food intake and reduced consumption of nutrient-dense foods.