bluuebunny/crossref_metadata_2025 huggingface dataset:
Missed appointments at maternal healthcare clinics in primary healthcare centres in Riyadh city: reasons and associated factors
Authors: Almalki Adel
Published: March 2014

Background: The issue of missed appointments at maternal healthcare clinics in primary healthcare centers (PHCCs) has received increasing attention in recent years. The significant relationship between missed appointments and access to maternal healthcare has been recognized around the world. Missed appointments have serious health and economic consequences for women seeking maternal healthcare at PHCCs. Objectives: The objectives of this research were 1) to critically explore the reasons for and socio-demographic factors associated with missed appointments at maternal healthcare clinics at PHCCs; and 2) to provide recommendations for health policy that might help to eliminate the problem of “no-show” maternal patients. Methods: Descriptive statistics were used to analyze the responses of 250 women regarding demographics, as well as their reasons for missing appointments and their preferences regarding appointment confirmation at maternal healthcare clinics at five PHCCs in Riyadh, Saudi Arabia. Results: The most frequent reasons associated with missed appointments reported by women included a lack of supplies and medical equipment, such as ultrasound machines, the unavailability of transportation and a lack of respect from PHCC staff. Conclusion: Developing easily accessible, flexible, interactive appointment systems with reminder/recall, providing means of transportation, providing training courses to PHCC employees on how to address these women and the provision of necessary medical equipment and facilities, such as ultrasound machines to all PHCCs are highly recommended to reduce the occurrence of missed appointments at maternal healthcare clinics at PHCCs in Riyadh, Saudi Arabia.
Cue‐Based Processing Capacity, Cognitive Load and the Completion of Simulated Short‐Duration Vigilance Tasks in Power Transmission Control
Authors: Small Aaron J. , Wiggins Mark W. , Loveday Thomas
Published: March 2014

The interaction between human operators and advanced technology systems has become increasingly complex, particularly with the introduction of automated and semi‐automated systems. This complexity is evident in increasing demands for vigilance in what might be regarded as low stimulus environments. Using resource theory as an explanation of the reduction in sustained attention to a task, the present study sought to examine the relationship between cue utilisation and sustained attention in the context of simulated power system control. The participants comprised power system operators from an Australian power transmission organisation, together with university engineering students. Controlling for experience, the results identified a relationship between different levels of cue utilisation and response latency over successive trials on a short vigilance task, consistent with resource theory. At an applied level, the results have implications for the selection and assessment for operators in environments where sustained attention is a necessary requirement. Copyright © 2014 John Wiley & Sons, Ltd.
Size controlling of monodisperse carboxymethyl cellulose microparticles via a microfluidic process
Authors: Ke Yu , Liu GuoSheng , Guo Tianhui , Zhang Yi , Li Chenghua , Xue Wei , Wu Gang , Wang Jiahui , Du Chang
Published: March 2014

Monodisperse carboxymethyl cellulose containing phenolic groups (CMC‐Ph) microdroplets with a radius of 100–400 μm and a coefficient of variation below 3% were produced in a coflowing microfluidic device. The CMC‐Ph solution containing horseradish peroxidase was used as the disperse phase and liquid paraffin containing H2O2 and lecithin as the continuous phase. The size of microdroplets decreased with the decreasing diameter of the inner channel and concentration of the disperse phase. When using a 0.04% CMC‐Ph solution and the device with the inner diameter of 160 μm, the size of the microdroplets can be further controlled by the flow rates of both the continuous phase and disperse phase following exponential models. The volume of the microdroplet was not inversely proportional to the flow‐rate ratio of the continuous phase to the disperse phase. There was a weak dependence of the volume on the flow of the continuous phase. The monodisperse microparticles possessed potential application for sensor, drug delivery system, cell encapsulation, catalysis, and imaging. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2014, 131, 40663.
Epoxy compositions cured with aluminosilsesquioxanes: Thermomechanical properties
Authors: Chmielewska Danuta , Sterzyński Tomasz , Dudziec Beata
Published: March 2014

The aim of this study was to verify the influence of bis(heptaphenylaluminosilsesquioxane) (AlPOSS), used as a curing agent, on the thermomechanical properties of epoxy resin. Moreover, various curing conditions were taken into account. Epoxy casts were prepared from epoxy resin based on bisphenol A cured with different amounts of bis(heptaphenylaluminosilsesquioxane). The thermomechanical properties were investigated during dynamical mechanical thermal analysis (DMTA) in two cycles of heating. The storage modulus G′ of the epoxy casts was found to be higher in comparison to the reference epoxy sample and significantly dependent on the POSS content. A correlation between the glass transition temperatures (Tg), the curing conditions and the amount of curing agents were closely related. The occurrence of the crosslinking process in epoxy matrix was proved by the FTIR spectroscopy. The structure of the epoxy casts was investigated using scanning electron microscopy (SEM). © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2014, 131, 40672.
Psychological Vulnerabilities and Propensities for Involvement in Violent Extremism
Authors: Borum Randy
Published: March 2014

Research on the psychology of terrorism has argued against the idea that most terrorist behavior is caused by mental illness or by a terrorist personality. This article suggests an alternative line of inquiry – an individual psychology of terrorism that explores how otherwise normal mental states and processes, built on characteristic attitudes, dispositions, inclinations, and intentions, might affect a person's propensity for involvement with violent extremist groups and actions. It uses the concepts of “mindset” – a relatively enduring set of attitudes, dispositions, and inclinations – and worldview as the basis of a psychological “climate,” within which various vulnerabilities and propensities shape ideas and behaviors in ways that can increase the person's risk or likelihood of involvement in violent extremism. Copyright © 2014 John Wiley & Sons, Ltd.
Is postdilatation useful after implantation of the Edwards valve?
Authors: Watanabe Yusuke , Hayashida Kentaro , Lefèvre Thierry , Romano Mauro , Hovasse Thomas , Chevalier Bernard , Garot Philippe , Donzeau‐Gouge Patrick , Farge Arnaud , Bouvier Erik , Cormier Bertrand , Morice Marie‐Claude
Published: March 2014

Background: Few data are available about postdilatation (PD) for the treatment of significant paravalvular aortic regurgitation (AR) after transcatheter aortic valve implantation of the Edwards valve. Methods and Results: A total of 470 patients, aged 83.4 ± 6.4 yrs, with logistic European System for Cardiac Operative Risk Evaluation 21.9 ± 12.3, undergoing transcatheter aortic valve implantation with the Edwards valve were evaluated. PD was performed using the balloon delivery system when significant paravalvular AR was identified. The diameter of the valve was measured from cine acquisition at three different levels. PD was performed in 49 (10.4%) patients with grade 2, 3, or 4 AR as 42.1%, 55.3%, and 2.6%, respectively. After PD, a reduction of at least 1 degree of AR was achieved in 81.5% of cases. Residual AR grades 2, 3, and 4 were observed in 36.8%, 10.5%, and 0%, respectively. A significant increase in the prosthesis diameter was observed at the three valve levels (absolute Δ 3.5%–5.4%, P.< 0.01). For the 23 mm valve, mid level of valve increased from 23.0 ± 0.4 to 24.1 ± 0.5 mm (P < 0.01) and for the 26 mm, from 25.2 ± 0.9 to 26.6 ± 0.9 mm (P < 0.01). Occurrence of annulus rupture (4.1% vs. 1.7%, P = 0.24), cerebrovascular accidents (2.0% vs. 2.1%, P = 0.72), need for new pacemaker (8.2% vs. 5.5%, P = 0.31), and 30‐day composite endpoint (24.5% vs. 20.2%, P = 0.48) were not significantly different between PD and non‐PD groups. Conclusions: PD for the treatment of significant paravalvular leak proved to be a feasible treatment allowing a significant increase in valve size and decrease in PVL without increase in stroke rates. This promising approach needs further confirmation. © 2014 Wiley Periodicals, Inc.
Artificial neural networks modeling in ultra performance liquid chromatography method optimization of mycophenolate mofetil and its degradation products
Authors: Golubović Jelena , Protić Ana , Zečević Mira , Otašević Biljana , Mikić Marija
Published: March 2014

The study of experimental design in conjunction with artificial neural networks for optimization of isocratic ultra performance liquid chromatography method for separation of mycophenolate mofetil and its degradation products has been reported. Experimental design showed to be suitable for selection of experimental scheme, while Kennard‐Stone algorithm was used for selection of training data set. The input variables were column temperature and composition of mobile phase including percentage of acetonitrile, concentration of ammonium acetate in buffer, and its pH value. The retention factor of the most retentive component and selectivity factors were used as the dependent variables (outputs). In this way, artificial neural network has been applied as a predictable tool in solving a method optimization problem using small number of experiments. Network architecture and training parameters were optimized to the lowest root‐mean‐square error values, and the network with 5‐4‐4‐4 topology has been selected as the most predictable one. Predicted data were in good agreement with experimental data, and regression statistics confirmed good ability of trained network to predict compounds retention. The optimal chromatographic conditions included column temperature of 40°C, flow rate of 700 µl min−1, 26% of acetonitrile and 9 mM ammonium acetate in mobile phase, and buffer pH of 5.87. The chromatographic analysis has been achieved within 5.2 min. The validation of the proposed method was also performed considering selectivity, linearity, accuracy, precision, limit of detection, and limit of quantification, and the results indicated that the method fulfilled all required criteria. The method was successfully applied to the analysis of commercial dosage form. Copyright © 2014 John Wiley & Sons, Ltd.
ChemInform Abstract: New Roles for Icosahedral Clusters in Intermetallic Phases: Micelle‐Like Segregation of Ca—Cd and Cu—Cd Interactions in Ca10Cd27Cu2.
Authors: Hadler Amelia B. , Harris Nicholas A. , Fredrickson Daniel C.
Published: March 2014

The new intermetallic title compound is synthesized from a stoichiometric mixture of the elements (Ta tube, 1100 °C, 48 h, followed by annealing at 500 °C for 100 h).
ChemInform Abstract: Ba3M2[B3O6(OH)]2 [B4O7(OH)2] (M: Al, Ga): Two Novel UV Nonlinear Optical Metal Borates Containing Two Types of Oxoboron Clusters.
Authors: Cheng Lin , Wei Qi , Wu Han‐Qing , Zhou Liu‐Jiang , Yang Guo‐Yu
Published: March 2014

The title compounds are hydrothermally synthesized from mixtures of H3BO3, Al(O‐iPr)3 or Ga(O‐iPr)3, Ba(OH)2, and H2O (autoclave, 220 °C, 10 d, 75 and 58% yield for the Al‐ and Ga compound, respectively).
ChemInform Abstract: B2S2O9: A Boron Sulfate with Phyllosilicate Topology.
Authors: Logemann Christian , Wickleder Mathias S.
Published: March 2014

The title compound with a structure analogous to a typical layer‐type silicate is synthesized from a mixture of B(OH)3 and HSO3Cl (glass tube, 200 °C, 24 h).
ChemInform Abstract: Iodobenzene‐Catalyzed Oxabicyclo[3.2.1]octane and [4.2.1]Nonane Synthesis via Cascade C—O/C—C Formation.
Authors: Ngatimin Marsewi , Frey Raphael , Levens Alison , Nakano Yuji , Kowalczyk Marcin , Konstas Kristina , Hutt Oliver E. , Lupton David W.
Published: March 2014

A concise method to oxabicyclo[3.2.1]octanes and [4.2.1]nonanes is developed via 1,2‐olefin functionalization cascade using two distinct nucleophiles.
ChemInform Abstract: Catalytic Asymmetric Bromolactonization Reactions Using (DHQD)2PHAL‐Benzoic Acid Combinations.
Authors: Armstrong Alan , Braddock D. Christopher , Jones Alexander X. , Clark Stacy
Published: March 2014

The use of benzoic acid as the additive for the bromolactonization of various carboxylic acids in the presence of catalytic amounts of (DHQD)2‐PHAL affords the corresponding lactones with improved enantioselectivity.
ChemInform Abstract: α‐Aminoamides as Ligands in Goldberg Amidations.
Authors: Mitra Aurpon W. , Hansen Marvin M. , Laurila Michael E. , Kolis Stanley P. , Martinelli Joseph R.
Published: March 2014

α‐Aminoamides are shown to be useful as ligands in Goldberg amidations.
ChemInform Abstract: Expedient Synthesis of Novel β‐Ketoesters from the Mizoroki—Heck Coupling of Ethyl 3‐Ethoxyacrylate with Aryl and Pyridyl Halides.
Authors: Kohrt Jeffrey T. , Conn Ed , Maguire Robert , Wright Stephen W. , Singer Robert
Published: March 2014

A mild and generally applicable two‐step synthesis of aryl‐ and heteroaryl‐substituted β‐ketoesters via Mizoroki—Heck reaction and subsequent hydrolysis is presented.
ChemInform Abstract: AlCl3‐Promoted [3 + 2] Annulation of cis‐2,3‐Disubstituted Cyclopropane 1,1‐Diesters with Isothiocyanates: Stereoselective Synthesis of Densely Substituted 2‐Iminodihydrothiophenes.
Authors: Sun Yongxian , Yang Gaosheng , Chai Zhuo , Mu Xiaolong , Chai Jun
Published: March 2014

Title compounds (I) are found to be significantly more reactive than their corresponding trans‐isomers in the annulation reaction with isothiocyanates (II).
ChemInform Abstract: Cycloisomerization of 2‐Alkynylanilines to Indoles Catalyzed by Carbon‐Supported Gold Nanoparticles and Subsequent Homocoupling to 3,3′‐Biindoles.
Authors: Perea‐Buceta Jesus E. , Wirtanen Tom , Laukkanen Otto‐Ville , Maekelae Mikko K. , Nieger Martin , Melchionna Michele , Huittinen Nina , Lopez‐Sanchez Jose A. , Helaja Juho
Published: March 2014

The cycloisomerization of 2‐alkynyl substituted anilines (I) is studied using a heterogeneous gold on carbon catalysts.
ChemInform Abstract: Rhenium‐Catalyzed Synthesis of 3‐Imino‐1‐isoindolinones by C—H Bond Activation: Application to the Synthesis of Polyimide Derivatives.
Authors: Sueki Shunsuke , Guo Yuanfang , Kanai Motomu , Kuninobu Yoichiro
Published: March 2014

A new method to synthesize the title compounds from aromatic imidates and isocyanates is presented.
ChemInform Abstract: Copper‐Mediated Selective C—H Activation and Cross‐Dehydrogenative C—N Coupling of 2′‐Aminoacetophenones.
Authors: Ilangovan Andivelu , Satish Gandhesiri
Published: March 2014

An efficient copper(II)‐catalyzed cross‐dehydrogenative intramolecular C—N coupling of an acetyl group and an amine furnishes isatins.
ChemInform Abstract: An Organocatalytic Highly Efficient Approach to the Direct Synthesis of Substituted Carbazoles in Water.
Authors: Jaiswal Pradeep Kumar , Biswas Soumen , Singh Shivendra , Samanta Sampak
Published: March 2014

A simple, green synthesis of title compounds (III) and (VI) is achieved via a one‐pot domino Michael—Henry/aromatization reaction of indolyl acetates with β‐nitroolefins (II) under air using DABCO as an organocatalyst.
ChemInform Abstract: Expeditious Synthesis of Bicyclic Pyrrolidine/Pyrrolizidine/Thiazolidine Grafted Macrocycles Through Intramolecular 1,3‐Dipolar Cycloaddition of Azomethine Ylides.
Authors: Purushothaman S. , Prasanna R. , Raghunathan R.
Published: March 2014

Alkenyl aldehydes (I) react with secondary aminoacids to generate azomethine ylide intermediates, which undergo intramolecular 1,3‐dipolar cycloaddition to give macrocyclic products.
ChemInform Abstract: Synthesis of Novel Biaryl Derivatives of Sesamol (5‐Benzodioxolol) and Evaluation of Their Antioxidant Activity Against DPPH Radical.
Authors: Rodriguez Sergio A. , Nazareno Monica A. , Baumgartner Maria T.
Published: March 2014

The photoinduced reaction of sesamol (I) with aryl halides (II) leads to biaryl coupling products (III), whilst the reaction with chloride (VII) gives rise to O‐arylated derivative (VIII).
ChemInform Abstract: Isothiourea‐Mediated One‐Pot Synthesis of Functionalized Pyridines.
Authors: Stark Daniel G. , Morrill Louis C. , Yeh Pei‐Pei , Slawin Alexandra M. Z. , O'Riordan Timothy J. C. , Smith Andrew D.
Published: March 2014

The reaction of a range of α,β‐unsaturated ketimines with (phenylthio)acetic acid in the presence of an isothiourea catalyst is developed to yield 2,4,6‐trisubstituted pyridines.
ChemInform Abstract: Alkylation of 2‐Methylquinoline with Alcohols under Additive‐Free Conditions by Al2O3‐Supported Pt Catalyst.
Authors: Chaudhari Chandan , Siddiki S. M. A. Hakim , Shimizu Ken‐ichi
Published: March 2014

Moreover, the catalyst can be reused at least four times without significant loss of activity.
ChemInform Abstract: Synthesis of Isoquinolines via Rh(III)‐Catalyzed C—H Activation Using Hydrazone as a New Oxidizing Directing Group.
Authors: Chuang Sheng‐Chieh , Gandeepan Parthasarathy , Cheng Chien‐Hong
Published: March 2014

An efficient method for the synthesis of highly substituted isoquinolines by a Rh(III)‐catalyzed hydrazone directed ortho C—H bond activation and annulation without an external oxidant is described.
ChemInform Abstract: Synthesis of Fused Pyridines in the Presence of Thiamine Hydrochloride as an Efficient and Reusable Catalyst in Aqueous Conditions.
Authors: Siddiqui I. R. , Rai Pragati , Srivastava Anushree , Srivastava Arjita , Srivastava Anjali
Published: March 2014

The synthesis of fused pyridines (IV) and (VI) involves addition on an activated olefinic bond, generated in situ by Knoevenagel condensation between an aromatic aldehyde and an active methylene compound.The Michael product on subsequent cyclocondensation affords the target compound in high yield.
ChemInform Abstract: Microwave‐Assisted Expeditious and Efficient Synthesis of Cyclopentene Ring‐Fused Tetrahydroquinoline Derivatives Using Three‐Component Povarov Reaction.
Authors: Kulkarni Abhijit R. , Thakur Ganesh A.
Published: March 2014

An efficient microwave‐assisted synthesis of cyclopentene ring‐fused tetrahydroquinolines using a three‐component Povarov reaction is reported.
ChemInform Abstract: Kinetic Resolution of Unsaturated Amides in a Chlorocyclization Reaction: Concomitant Enantiomer Differentiation and Face Selective Alkene Chlorination by a Single Catalyst.
Authors: Jaganathan Arvind , Staples Richard J. , Borhan Babak
Published: March 2014

Kinetic resolution and chlorofunctionalization are mediated by the same catalyst and proceed in one step.
ChemInform Abstract: Asymmetric Three‐Component Domino Reaction: An Original Access to Chiral Nonracemic 1,3‐Thiazin‐2‐ones.
Authors: Peudru Flavie , Le Cavellier Fabien , Lohier Jean‐Francois , Gulea Mihaela , Reboul Vincent
Published: March 2014

A new asymmetric three‐component domino process, based on a diastereoselective hetero‐Diels—Alder reaction, involving an aldehyde, an alkene, and a chiral thiocarbamate is developed.
ChemInform Abstract: Synthesis of Six‐Membered Cyclic Sulfonimidamides.
Authors: Sen Indira , Kloer Daniel P. , Hall Roger G. , Pal Sitaram
Published: March 2014

Title compounds (V) are prepared via an intramolecular ring closure of suitably functionalized acyclic sulfonimidates (IV).
ChemInform Abstract: Pyrimido[5,4‐e]tetrazolo[5,1‐b][1,3,4]thiadiazines as a New Heterocyclic System.
Authors: Eshghi Hossein , Rahimizadeh Mohammad , Saberi Sattar , Abnous Khalil , Bakavoli Mehdi
Published: March 2014

A facile multistep sequence for the synthesis of the novel title compounds (VI) (6 examples) is given.
ChemInform Abstract: Preyssler Catalyst‐Promoted Rapid, Clean, and Efficient Condensation Reactions for 3H‐1,5‐Benzodiazepine Synthesis in Solvent‐Free Conditions.
Authors: Pasquale Gustavo , Ruiz Diego M. , Jios Jorge L. , Autino Juan C. , Romanelli Gustavo P.
Published: March 2014

A simple, convenient, and environmentally benign synthesis of 1,5‐benzodiazepines is developed by condensing different o‐phenylenediamines and 1,3‐aryl‐1,3‐propanodiones.
ChemInform Abstract: Organocatalysis for the Acid‐Free O‐Arylidenation of Carbohydrates.
Authors: Geng Yiqun , Faidallah Hassan M. , Albar Hassan A. , Mhkalid Ibrahim A. , Schmidt Richard R.
Published: March 2014

Methyl glycopyranoside derivatives react with arylaldehyde dimethyl acetals such as (II) in the presence of a squaramide type catalyst to afford 4,6‐O‐arylidene carbohydrates in good yields.
ChemInform Abstract: One‐pot Solvothermal Synthesis and Properties of 1D NiSe and NiSe—Ni3S2 Alloyed Compound Nanorod Arrays.
Authors: Yu Xia , Sun Wendong , Chu Ying
Published: March 2014

NiSe nanorod arrays on a Ni substrate are prepared from Se powder and hexadecyltrimethyl ammonium bromide dissolved in N2H4·H2 in an autoclave containing a Ni foil (140 °C, 12 h).
ChemInform Abstract: Emerging Properties and Applications of Spin Crossover Nanomaterials
Authors: Molnar Gabor , Salmon Lionel , Nicolazzi William , Terki Ferial , Bousseksou Azzedine
Published: March 2014

Review: 66 refs.
ChemInform Abstract: Chromium Deposition and Poisoning of Cathodes of Solid Oxide Fuel Cells — A Review
Authors: Jiang San Ping , Chen Xinbing
Published: March 2014

Review: 137 refs.
ChemInform Abstract: Synthesis, Structure and Reactivity of Rare‐Earth Metal Complexes Containing Anionic Phosphorus Ligands
Authors: Li Tianshu , Kaercher Sabrina , Roesky Peter W.
Published: March 2014

Review: 49 refs.
ChemInform Abstract: Asymmetric Synthesis of Atropisomeric Compounds with an N—C Chiral Axis
Authors: Takahashi Isao , Suzuki Yuya , Kitagawa Osamu
Published: March 2014

Review: 103 refs.
ChemInform Abstract: Asymmetric Organocatalysis Mediated by Primary Amines Derived from Cinchona Alkaloids: Recent Advances
Authors: Duan Jindian , Li Pengfei
Published: March 2014

Review: 97 refs.
ChemInform Abstract: Peptide Ligation Chemistry at Selenol Amino Acids
Authors: Malins Lara R. , Mitchell Nicholas J. , Payne Richard J.
Published: March 2014

Review: 123 refs.
ChemInform Abstract: Chiral Ca‐, Sr‐, and Ba‐Catalyzed Asymmetric Direct‐Type Aldol, Michael, Mannich, and Related Reactions
Authors: Tsubugo Tetsu , Yamashita Yasuhiro , Kobayashi Shu
Published: March 2014

Review: 105 refs.
ChemInform Abstract: Alkoxyamines: A New Family of Pro‐Drugs Against Cancer. Concept for Theranostics
Authors: Audran Gerard , Bremond Paul , Franconi Jean‐Michel , Marque Sylvain R. A. , Massot Philippe , Mellet Philippe , Parzy Elodie , Thiaudiere Eric
Published: March 2014

Review: 31 refs.
ChemInform Abstract: Lithium and Sodium Battery Cathode Materials: Computational Insights into Voltage, Diffusion and Nanostructural Properties
Authors: Islam M. Saiful , Fisher Craig A. J.
Published: March 2014

Review: DFT and atomistic potential‐based methods; 187 refs.
An overview of insider attacks in cloud computing
Authors: Duncan Adrian , Creese Sadie , Goldsmith Michael
Published: March 2014

Cloud computing offers the potential for significant cost reductions and increased agility for users. However, security concerns continue to be raised as a potential barrier to uptake for private, community and public clouds. A report from the European Network and Information Security Agency on the Priorities for Research on Current and Emerging Network Technologies highlighted trusted cloud models as one of its top priorities for further research. More recently—September 2012—Carnegie Mellon University's computer emergency response team have released a paper describing insider threats to cloud computing as a direction for new research. Further, a project completed at the University of Warwick in 2010 investigated security aspects of cloud computing and in particular the potential for cascade effects. This research involved a detailed modelling of the threat and vulnerability landscape, including the incentives and motivations that might drive attackers. One of the conclusions is that insider threats potentially pose the most significant source of risk. This paper presents the progress made on furthering this research by investigating what attacks are available to insiders together with the damage and implications of such attacks. Copyright © 2014 John Wiley & Sons, Ltd.
Woody encroachment reduces nutrient limitation and promotes soil carbon sequestration
Authors: Blaser Wilma J. , Shanungu Griffin K. , Edwards Peter J. , Olde Venterink Harry
Published: March 2014

During the past century, the biomass of woody species has increased in many grassland and savanna ecosystems. As many of these species fix nitrogen symbiotically, they may alter not only soil nitrogen (N) conditions but also those of phosphorus (P). We studied the N‐fixing shrub Dichrostachys cinerea in a mesic savanna in Zambia, quantifying its effects upon pools of soil N, P, and carbon (C), and availabilities of N and P. We also evaluated whether these effects induced feedbacks upon the growth of understory vegetation and encroaching shrubs. Dichrostachys cinerea shrubs increased total N and P pools, as well as resin‐adsorbed N and soil extractable P in the top 10‐cm soil. Shrubs and understory grasses differed in their foliar N and P concentrations along gradients of increasing encroachment, suggesting that they obtained these nutrients in different ways. Thus, grasses probably obtained them mainly from the surface upper soil layers, whereas the shrubs may acquire N through symbiotic fixation and probably obtain some of their P from deeper soil layers. The storage of soil C increased significantly under D. cinerea and was apparently not limited by shortages of either N or P. We conclude that the shrub D. cinerea does not create a negative feedback loop by inducing P‐limiting conditions, probably because it can obtain P from deeper soil layers. Furthermore, C sequestration is not limited by a shortage of N, so that mesic savanna encroached by this species could represent a C sink for several decades.
Lanthanide Complexes with Tetradentate N,N′,O,O′‐Dipyridyl‐Based Ligands: Structure, Stability, and Photophysical Properties
Authors: Borisova Nataliya E. , Kostin Andrey A. , Eroshkina Elizaveta A. , Reshetova Marina D. , Lyssenko Konstantin A. , Spodine Evgenia N. , Puntus Lada N.
Published: March 2014

A series of lanthanide(III) complexes (Ln = La to Lu) with 2,2′‐bipyridyl‐6,6′‐dicarboxamide ligands were obtained. The X‐ray structure of the di(N‐ethylanilide) of 2,2′‐bipyridyl‐6,6′‐dicarboxylic acid is reported. The structures of the amides in the gas phase were modeled by DFT calculations. The global minima of the structures on the potential energy surface (PES) strongly depend on the nature of the substituents on the amidic nitrogen atom. The UV/Vis titration results of three diamides of 2,2′‐bipyridyl‐6,6′‐dicarboxylic acid with lanthanide(III) metal nitrates show the composition of the complexes formed and allow us to determine the binding constants. Compounds with a 1:1 metal‐to‐ligand ratio are formed with the three diamide ligands under study. The binding constants are high, log β1 being higher than 5.5. The values of the constants decrease from LaIII to LuIII. The first structures, obtained by single‐crystal X‐ray diffraction, for GdIII and TbIII complexes of 2,2′‐bipyridyl‐6,6′‐dicarboxamide ligands are described. Decacoordinated metal ions are bonded by the tetradentate ligand and three bidentate nitrate groups. 2D ROESY experiments with LaIII, LuIII, and EuIII complexes allow us to conclude that the structures of the complexes in solution are the same as those in the solid state. The photophysical properties of these Ln complexes were determined in the solid state at 77 and 300 K. Intense red and green luminescence was observed for both Eu and Tb complexes, and an intrinsic quantum yield of 90 % was determined for the europium complex.
Response of fish tissue mercury in a freshwater lake to local, regional, and global changes in mercury emissions
Authors: Vijayaraghavan Krish , Levin Leonard , Parker Lynsey , Yarwood Greg , Streets David
Published: March 2014

A suite of mechanistic atmospheric and mercury (Hg) cycling and bioaccumulation models is applied to simulate atmospheric Hg deposition and Hg concentrations in the water column and in fish in a Hg-impaired freshwater lake located in the northeastern United States that receives its Hg loading primarily through deposition. Two future-year scenarios evaluate the long-term response of fish tissue Hg concentrations to reductions in local and nationwide coal-fired electric-generating utility and other Hg emissions and an increase or decrease in global (non-US) Hg emissions. Results indicate that fish tissue Hg concentrations in this ecosystem could require approximately 3 yr to 8 yr to begin to respond to declines in US emissions and deposition with a fish Hg reduction proportional to deposition reduction requiring over 50 yr. Furthermore, recovery could potentially be partially or completely offset by growth in non-US Hg emissions. Environ Toxicol Chem 2014;33:1238–1247. © 2014 SETAC
An extended mixture model for the simultaneous treatment of small‐scale and large‐scale interfaces
Authors: Damián Santiago Márquez , Nigro Norberto M.
Published: March 2014

The aim of this work is to present a new model based on the volume of fluid method and the algebraic slip mixture model in order to solve multiphase gas–fluid flows with different interface scales and the transition among them. The interface scale is characterized by a measure of the grid, which acts as a geometrical filter and is related with the accuracy in the solution; in this sense, the presented coupled model allows to reduce the grid requirements for a given accuracy. With this objective in mind, a generalization of the algebraic slip mixture model is proposed to solve problems involving small‐scale and large‐scale interfaces in an unified framework taking special care in preserving the conservativeness of the fluxes. This model is implemented using the OpenFOAM® libraries to generate a tool capable of solving large problems on high‐performance computing facilities. Several examples are solved as a validation for the presented model, including new quantitative measurements to assess the advantages of the method. Copyright © 2014 John Wiley & Sons, Ltd.
Forecasting the Term Structure of Interest Rates Using Integrated Nested Laplace Approximations
Authors: Laurini MÁrcio Poletti , Hotta Luiz Koodi
Published: March 2014

This article discusses the use of Bayesian methods for inference and forecasting in dynamic term structure models through integrated nested Laplace approximations (INLA). This method of analytical approximation allows accurate inferences for latent factors, parameters and forecasts in dynamic models with reduced computational cost. In the estimation of dynamic term structure models it also avoids some simplifications in the inference procedures, such as the inefficient two‐step ordinary least squares (OLS) estimation. The results obtained in the estimation of the dynamic Nelson–Siegel model indicate that this method performs more accurate out‐of‐sample forecasts compared to the methods of two‐stage estimation by OLS and also Bayesian estimation methods using Markov chain Monte Carlo (MCMC). These analytical approaches also allow efficient calculation of measures of model selection such as generalized cross‐validation and marginal likelihood, which may be computationally prohibitive in MCMC estimations. Copyright © 2014 John Wiley & Sons, Ltd.
An Efficient Green Synthesis of a New Class of α‐Aminophosphonates under Microwave Irradiation Conditions in the Presence of PS/PTSA
Authors: Gangireddy Chandra Sekhar Reddy , Chinthaparthi Radha Rani , Mudumala Veeranarayana Reddy , Mamilla Madhav , Arigala Uma Ravi Sankar
Published: March 2014

The present work focuses on the study of catalytic activity of polystyrene‐supported p‐toluenesulfonic acid (PS/PTSA) and the synthesis of α‐aminophosphonates from the Kabachnik–Fields (KF) reaction under microwave irradiation in solvent‐free conditions. Recently, the catalytic activity of PS/PTSA was tested with good yields. This procedure is the simplest, most straightforward, environment friendly method for the synthesis of α‐aminophosphonates from simple to different substituted aldehyde substrates. Furthermore, this catalyst can be recovered and reused without loss of its catalytic activity.
Optimization of Output Power and Thermal Efficiency of Solar‐Dish Stirling Engine Using Finite Time Thermodynamic Analysis
Authors: Ahmadi Mohammad H. , Sayyaadi Hoseyn , Hosseinzadeh Hadi
Published: March 2014

This paper presents an investigation on finite time thermodynamic (FTT) evaluation of a solar‐dish Stirling heat engine. FTTs has been applied to determine the output power and the corresponding thermal efficiency, exergetic efficiency, and the rate of entropy generation of a solar Stirling system with a finite rate of heat transfer, regenerative heat loss, conductive thermal bridging loss, and finite regeneration process time. Further imperfect performance of the dish collector and convective/radiative heat transfer mechanisms in the hot end as well as the convective heat transfer in the heat sink of the engine are considered in the developed model. The output power of the engine is maximized while the highest temperature of the engine is considered as a design parameter. In addition, thermal efficiency, exergetic efficiency, and the rate of entropy generation corresponding to the optimum value of the output power is evaluated. Results imply that the optimized absorber temperature is some where between 850 K and 1000 K. Sensitivity of results against variations of the system parameters are studied in detail. The present analysis provides a good theoretical guidance for the designing of dish collectors and operating the Stirling heat engine system.
Modeling and Optimization of Nanofluid Flow in Flat Tubes Using a Combination of CFD and Response Surface Methodology
Authors: Safikhani H. , Abbassi A. , Khalkhali A. , Kalteh M.
Published: March 2014

In this paper, modeling and optimization of Al2O3–water nanofluid flow in horizontal flat tubes is performed using a combination of computational fluid dynamics (CFD) and response surface methodology (RSM). At first, nanofluid flow is solved numerically in various flat tubes using CFD techniques and the heat transfer coefficient () and pressure drop () in tubes are calculated. The numerical simulations are performed using two phase mixture model by FORTRAN programming language. The flow regime and the wall boundary conditions are assumed to be laminar and constant heat flux respectively. In the second step, numerical data of the previous step will be used for a parametric study, modeling and optimization of nanofluid flow in flat tubes using the RSM technique.It is shown that the results include important design information on nanofluid parameters in flat tubes. The important design information about the relationship between design variables and responses will not be achieved without the simultaneous use of CFD and optimization approaches.
Changes in water table level influence solute transport in uniform porous media
Authors: Rühle Franziska Anna , Zentner Nadine , Stumpp Christine
Published: March 2014

Changes in the water table level result in variable water saturation and variable hydrological fluxes at the interface between the unsaturated and saturated zone. This may influence the transport and fate of contaminants in the subsurface. The objective of this study was to examine the impact of a decreasing and an increasing water table on solute transport. We conducted tracer experiments at downward flow conditions in laboratory columns filled with two different uniform porous media under static and transient flow conditions either increasing or decreasing the water table. Tracer breakthrough curves were simulated using a mobile–immobile transport model. The resulting transport parameters were compared to identify dominant transport processes. Changes in the water table level affected dispersivities and mobile water fractions depending on the direction of water table movement and the grain size of the porous media. In fine glass beads, the water flow velocity was similar to the decline rate of the water table, and the mobile water fraction was decreased compared with steady‐state saturated conditions. However, immobile water was negligible. In coarse glass beads, water flow was faster because of fingered flow in the unsaturated part, and the mobile water fraction was smaller than in the fine material. Here, a rising water table led to an even smaller mobile water fraction and increased solute spreading because of diffusive interaction with immobile water. We conclude that changes of the water table need to be considered to correctly simulate transport in the subsurface at the transition of the unsaturated–saturated zone. Copyright © 2014 John Wiley & Sons, Ltd.
The measurement and modelling of stemflow in an alpine Myricaria squamosa community
Authors: Zhang Si‐Yi , Li Xiao‐Yan , Li Liu , Huang Yong‐Mei , Zhao Guo‐Qin , Chen Hui‐Ying
Published: March 2014

Stemflow is an important hydrological process of rainfall partitioning, but it has rarely been studied in the alpine riparian shrub Myricaria squamosa in the Qinghai–Tibet Plateau. This study aimed to measure and model the stemflow of the unstudied M. squamosa and to identify the key controlling factors of stemflow yield. Correlations and stepwise regression analysis between stemflow and five meteorological and ten biological factors indicated that the rainfall amount and the aboveground biomass were the best variables for modelling and predicting stemflow. We used the best model to estimate annual and stand stemflow, as well as rainfall threshold for stemflow generation. Annual stemflow accounted for 2.3 to 10.2% of the annual rainfall amount, varying with different vegetation coverage and leaf area index. The annual stemflow percentage increased linearly with the annual total rainfall amount of events > 7.3 mm. For M. squamosa stands, branches with diameters of 10 to 25 mm were less frequent but contributed much more stemflow than branches with diameters smaller than 10 mm. The stemflow percentage increased sharply with increasing rainfall amounts when the rainfall amounts were less than 4, 8 or 13 mm for the M. squamosa stands with coverage of 32.6, 47.6 or 56.1%, respectively, but increased gently when the rainfall amounts were greater than these values. The rainfall threshold for stemflow generation decreased as the branch aboveground biomass increased, and the estimated median value of the rainfall threshold was 0.8 mm for M. squamosa stands, with a range of 3.0 to 0.4 mm for branches weighing 10 to 300 g, respectively. Copyright © 2014 John Wiley & Sons, Ltd.
THE HISTORIC KURIT DAM: AN ILLUSTRATIVE EXAMPLE OF WATER WISDOM
Authors: Emami Kamran
Published: March 2014

The historic Kurit Dam near Tabas, Iran, has regulated the Kurit River for irrigation for 600 years and can be considered a symbol of sustainability. The arch‐gravity dam is especially remarkable for its extraordinary height of 60 m. This was to remain a world record for any type of dam from 1350 until the early twentieth century. The former president of ICOLD referred to the Kurit Dam as one of the most astounding achievements in dam engineering in the Middle Ages. Despite the fact that the dam was built 650 years ago, it still serves as an illustrative example of creativity, harmony with floods, sustainable development and coping with uncertainties.

Unfortunately overlooking the valuable water wisdom of past generations, a modern dam was constructed just upstream of the historic dam. When, 6 years after impoundment, the new dam remained virtually empty due to error in estimating the river inflow, the canniness of the builders of the old dam became evident.

This paper seeks to reveal the engineering genius of Iranian history to provide an example of the intergenerational and multicultural collaboration demanded by the global climate challenges of today. Copyright © 2014 John Wiley & Sons, Ltd.
Cell‐penetrating peptides: A tool for effective delivery in gene‐targeted therapies
Authors: de Figueiredo Inês Rego , Freire João Miguel , Flores Luís , Veiga Ana Salomé , Castanho Miguel A.R.B.
Published: March 2014

The current landscapes of novel therapeutic approaches rely mostly on gene‐targeted technologies, enabling to fight rare genomic diseases, from infections to cancer and hereditary diseases. Although, reaching the action‐site for this novel treatments requires to deliver nucleic acids, or other macromolecules into cells, which may pose difficult tasks to pharmaceutical companies. To overcome this technological limitation, a wide variety of vectors have been developed in the past decades and have proven to be successful in delivering various therapeutics. Cell‐penetrating peptides (CPP) have been one of the technologies widely studied and have been increasingly used to transport small RNA/DNA, plasmids, antibodies, and nanoparticles into cells. Despite the already proved huge potential that these peptide‐based approaches may suggest, few advances have been put to pharmacological or clinical use. This review will describe the origin, development, and usage of CPP to deliver therapeutic agents into cells, with special emphasis on their current application to gene‐therapies. Specifically, we will describe the current trials being conducted to treat cancer, gene disorders, and autoimmune diseases using CPP‐based therapies. © 2014 IUBMB Life, 66(3):182–194, 2014
Simultaneous comparison of thrombogenic reactions to different combinations of anticoagulants, activated clotting times, and materials
Authors: Nagai Mirei , Iwasaki Kiyotaka , Umezu Mitsuo , Ozaki Makoto
Published: March 2014

Thrombogenic reactions under multiple interactions of pharmacological agents, doses, and materials have not been well understood yet. The aim of this study was to investigate the ability to simultaneously compare thrombogenic reactions to different combinations of anticoagulants, doses, and blood‐contacting materials, in a single human blood using an in vitro test method. Four venous blood samples were drawn from each of six healthy volunteers into syringes that contained two different amounts of heparin and argatroban to set the activated clotting time (ACT) to approximately 200 or 500 s, respectively. The four blood samples from each volunteer were immediately poured into two clinical‐grade extracorporeal circulation tubes: a polyvinyl chloride (PVC) tube and a poly(2‐methoxyethyl acrylate)‐coated (PMEA) PVC tube. These tubes with an inner diameter of 12.7 mm were rotated at 183 rpm in a 37°C chamber for 10 min. The results indicated that the in vitro thrombogenicity test method was capable of assessing differences in platelet factor 4 and β‐thromboglobulin increases among different combinations of the two materials, two anticoagulants, and two ACTs. Higher amounts of total plasma proteins were absorbed on PVC tubes than on PMEA‐coated tubes when using the same anticoagulant and dose. These data elucidate that the in vitro thrombogenicity test method is useful for the simultaneous quantitative evaluation of the influences of various combinations of materials, pharmacological agents, and doses on thrombogenicity in a single human blood. © 2014 Wiley Periodicals, Inc. J Biomed Mater Res Part B, 102B: 1605–1612, 2014.
Midpoint cell method for hybrid (MPI+OpenMP) parallelization of molecular dynamics simulations
Authors: Jung Jaewoon , Mori Takaharu , Sugita Yuji
Published: March 2014

We have developed a new hybrid (MPI+OpenMP) parallelization scheme for molecular dynamics (MD) simulations by combining a cell‐wise version of the midpoint method with pair‐wise Verlet lists. In this scheme, which we call the midpoint cell method, simulation space is divided into subdomains, each of which is assigned to a MPI processor. Each subdomain is further divided into small cells. The interaction between two particles existing in different cells is computed in the subdomain containing the midpoint cell of the two cells where the particles reside. In each MPI processor, cell pairs are distributed over OpenMP threads for shared memory parallelization. The midpoint cell method keeps the advantages of the original midpoint method, while filtering out unnecessary calculations of midpoint checking for all the particle pairs by single midpoint cell determination prior to MD simulations. Distributing cell pairs over OpenMP threads allows for more efficient shared memory parallelization compared with distributing atom indices over threads. Furthermore, cell grouping of particle data makes better memory access, reducing the number of cache misses. The parallel performance of the midpoint cell method on the K computer showed scalability up to 512 and 32,768 cores for systems of 20,000 and 1 million atoms, respectively. One MD time step for long‐range interactions could be calculated within 4.5 ms even for a 1 million atoms system with particle‐mesh Ewald electrostatics. © 2014 Wiley Periodicals, Inc.
Iberian extreme precipitation 1855/1856: an analysis from early instrumental observations and documentary sources
Authors: Domínguez‐Castro F. , Ramos Alexandre M. , García‐Herrera Ricardo , Trigo Ricardo M.
Published: March 2014

Flood events is the natural hazard that originated more damages and fatalities in the Iberian Peninsula in the last decades. While most 20th century extreme precipitation and flood episodes in Iberia have been documented, the same does not hold for most events that took place during the 19th century. This article describes the unusually high precipitation and associated impacts recorded during the 1855/1856 hydrological year. We combine newspaper reports, early instrumental precipitation series and sea level pressure (SLP) reconstructed gridded fields. The early instrumental precipitation time series includes 11 observatories that were not previously digitized and preceded the implementation of the official meteorological observation network in Spain. We show that high values of precipitation were mostly recorded during the months of September, October 1855 and January 1856, with most of the flooding and damages occurring in the last month. The use of daily circulation weather types and monthly differences of SLP are particularly useful to explain the heavy precipitation in October and January, which were clearly associated with unusual high frequencies of wet weather types. However, SLP patterns cannot explain the September records, which could be associated to upper cold air intrusions in the Iberian Peninsula.