bluuebunny/crossref_metadata_2025 huggingface dataset:
Triggering Mechanism for DNA Electrical Conductivity: Reversible Electron Transfer between DNA and Iron Oxide Nanoparticles
Authors: Magro Massimiliano , Baratella Davide , Jakubec Petr , Zoppellaro Giorgio , Tucek Jiri , Aparicio Claudia , Venerando Rina , Sartori Geppo , Francescato Federica , Mion Fabio , Gabellini Nadia , Zboril Radek , Vianello Fabio
Published: February 2015

A new category of iron oxide nanoparticles (surface active maghemite nanoparticles (SAMNs, γ‐Fe2O3)) allows the intimate chemical and electrical contact with DNA by direct covalent binding. On these basis, different DNA‐nanoparticle architectures are developed and used as platform for studying electrical properties of DNA. The macroscopic 3D nanobioconjugate, constituted of 5% SAMNs, 70% water, and 25% DNA, shows high stability, electrochemical reversibility and, moreover, electrical conductivity (70–80 Ω cm−1). Reversible electron transfer at the interface between nanoparticles and DNA is unequivocally demonstrated by Mössbauer spectroscopy, which shows the appearance of Fe(II) atoms on nanoparticles following nanobioconjugate formation. This represents the first example of permanent electron exchange by DNA, as well as, of DNA conductivity at a macroscopic scale. Finally, the most probable configuration of the binding is tentatively modeled by density functional theory (DFT/UBP86/6‐31+G*), showing the occurrence of electron transfer from the organic orbitals of DNA to surface exposed Fe(III) on nanoparticles, as well as the generation of defects (holes) on the DNA bases. The unequivocal demonstration of DNA conduction provides a new perspective in the five decades long debate about electrical properties of this biopolymer, further suggesting novel approaches for DNA exploitation in nanoelectronics.
Electronic Structure of Low‐Temperature Solution‐Processed Amorphous Metal Oxide Semiconductors for Thin‐Film Transistor Applications
Authors: Socratous Josephine , Banger Kulbinder K. , Vaynzof Yana , Sadhanala Aditya , Brown Adam D. , Sepe Alessandro , Steiner Ullrich , Sirringhaus Henning
Published: February 2015

The electronic structure of low temperature, solution‐processed indium–zinc oxide thin‐film transistors is complex and remains insufficiently understood. As commonly observed, high device performance with mobility >1 cm2 V−1 s−1 is achievable after annealing in air above typically 250 °C but performance decreases rapidly when annealing temperatures ≤200 °C are used. Here, the electronic structure of low temperature, solution‐processed oxide thin films as a function of annealing temperature and environment using a combination of X‐ray photoelectron spectroscopy, ultraviolet photoelectron spectroscopy, and photothermal deflection spectroscopy is investigated. The drop‐off in performance at temperatures ≤200 °C to incomplete conversion of metal hydroxide species into the fully coordinated oxide is attributed. The effect of an additional vacuum annealing step, which is beneficial if performed for short times at low temperatures, but leads to catastrophic device failure if performed at too high temperatures or for too long is also investigated. Evidence is found that during vacuum annealing, the workfunction increases and a large concentration of sub‐bandgap defect states (re)appears. These results demonstrate that good devices can only be achieved in low temperature, solution‐processed oxides if a significant concentration of acceptor states below the conduction band minimum is compensated or passivated by shallow hydrogen and oxygen vacancy‐induced donor levels.
Hybrid Z‐Scheme Using Photosystem I and BiVO4 for Hydrogen Production
Authors: Kim Younghye , Shin Della , Chang Woo Je , Jang Hae Lin , Lee Chan Woo , Lee Hye‐Eun , Nam Ki Tae
Published: February 2015

The so‐called Z‐scheme is a means of utilizing photo‐induced electrons from a photosystem and has consistently motivated the design of synthetic photocatalytic systems. Although progress has been made in many pioneering studies on an inorganic‐based Z‐scheme, there have been no reports of a hybrid Z‐scheme for an inorganic and a photosystem. Here, a hybrid Z‐scheme is demonstrated by integrating a platinized photosystem I (PSI) and BiVO4 for hydrogen production. Up to now, PSI‐driven systems have been limited to a one‐step photoreduction reaction using sacrificial reductants. In this hybrid Z‐scheme, step‐wise charge separation in PSI and BiVO4 enables the production of hydrogen from only water under visible light. PSI and BiVO4 are conjugated via metal mediators to form an all‐linked structure. The novel design exhibits potential for the development of a protein hybrid system for electrochemical devices, sensors, and a solar energy conversion system.
Lipid‐Conjugation of Endogenous Neuropeptides: Improved Biotherapy against Human Pancreatic Cancer
Authors: Gopalakrishnan Gopakumar , Lepetre Sinda , Maksimenko Andrei , Mura Simona , Desmaële Didier , Couvreur Patrick
Published: February 2015

Neuropeptides are small neuronal signaling molecules that act as neuromodulators for a variety of neural functions including analgesia, reproduction, social behavior, learning, and memory. One of the endogenous neuropeptides—Met‐Enkephalin (Met‐Enk), has been shown to display an inhibitory effect on cell proliferation and differentiation. Here, a novel lipid‐modification approach is shown to create a small library of neuropeptides that will allow increased bioavailability and plasma stability after systemic administration. It is demonstrated, on an experimental model of human pancreatic adenocarcinoma, that lipid conjugation of Met‐Enk enhances its tumor suppression efficacy compared to its nonlipidated counterparts, both in vitro and in vivo. More strikingly, the in vivo studies show that a combination therapy with a reduced concentration of Gemcitabine has suppressed the tumor growth considerably even three weeks after the last treatment.
A Toolbox for Controlling the Energetics and Localization of Electronic States in Self‐Assembled Organic Monolayers
Authors: Kretz Bernhard , Egger David A. , Zojer Egbert
Published: February 2015

Controlling the nature of the electronic states within organic layers holds the promise of truly molecular electronics. To achieve that we, here, develop a modular concept for a versatile tuning of electronic properties in organic monolayers and their interfaces. The suggested strategy relies on directly exploiting collective electrostatic effects, which emerge naturally in an ensemble of polar molecules. By means of quantum‐mechanical modeling we show that in this way monolayer‐based quantum‐cascades and quantum‐well structures can be realized, which allow a precise control of the local electronic structure and the localization of electronic states. Extending that concept, we furthermore discuss strategies for activating spin sensitivity in specific regions of an organic monolayer.
Expanding the genetic and phenotypic spectrum of popliteal pterygium disorders
Authors: Leslie Elizabeth J. , O'Sullivan James , Cunningham Michael L. , Singh Ankur , Goudy Steven L. , Ababneh Faroug , Alsubaie Lamia , Ch'ng Gaik‐Siew , van der Laar Ingrid M. B. H. , M. Hoogeboom A. Jeannette , Dunnwald Martine , Kapoor Seema , Jiramongkolchai Pawina , Standley Jennifer , Manak J. Robert , Murray Jeffrey C. , Dixon Michael J.
Published: February 2015

The popliteal pterygia syndromes are a distinct subset of the hundreds of Mendelian orofacial clefting syndromes. Popliteal pterygia syndromes have considerable variability in severity and in the associated phenotypic features but are all characterized by cutaneous webbing across one or more major joints, cleft lip and/or palate, syndactyly, and genital malformations. Heterozygous mutations in IRF6 cause popliteal pterygium syndrome (PPS) while homozygous mutations in RIPK4 or CHUK (IKKA) cause the more severe Bartsocas–Papas syndrome (BPS) and Cocoon syndrome, respectively. In this study, we report mutations in six pedigrees with children affected with PPS or BPS. Using a combination of Sanger and exome sequencing, we report the first case of an autosomal recessive popliteal pterygium syndrome caused by homozygous mutation of IRF6 and the first case of uniparental disomy of chromosome 21 leading to a recessive disorder. We also demonstrate that mutations in RIPK4 can cause features with a range of severity along the PPS‐BPS spectrum and that mutations in IKKA can cause a range of features along the BPS‐Cocoon spectrum. Our findings have clinical implications for genetic counseling of families with pterygia syndromes and further implicate IRF6, RIPK4, and CHUK (IKKA) in potentially interconnected pathways governing epidermal and craniofacial development. © 2015 Wiley Periodicals, Inc.
Increased plasma chemokine levels in children with Prader–Willi syndrome
Authors: Butler Merlin G. , Hossain Waheeda , Sulsona Carlos , Driscoll Daniel J. , Manzardo Ann M.
Published: February 2015

Prader–Willi syndrome (PWS) is caused by loss of paternally expressed genes from the 15q11‐q13 region and reportedly rearranged as a cause of autism. Additionally, increased inflammatory markers and features of autism are reported in PWS. Cytokines encoded by genes involved with inflammation, cell proliferation, migration, and adhesion play a role in neurodevelopment and could be disturbed in PWS as abnormal plasma cytokine levels are reported in autism. We analyzed 41 plasma cytokines in a cohort of well‐characterized children with PWS between 5 and 11 years of age and unaffected unrelated siblings using multiplex sandwich immunoassays with the Luminex magnetic‐bead based platform. Data were analyzed using ANOVA testing for effects of diagnosis, gender, body mass index (BMI) and age on the 24 cytokines meeting laboratory criteria for inclusion. No significant effects were observed for age, gender or BMI. The log‐transformed levels of the 24 analyzable cytokines were examined simultaneously using MANOVA adjusting for age and gender and a main effect of diagnosis was found (P‐value <0.03). Four of 24 plasma cytokine levels (MCP1, MDC, Eotaxin, RANTES) were significantly higher in children with PWS compared with controls and classified as bioinflammatory chemokines supporting a disturbed immune response unrelated to obesity status. BMI was not statistically different in the two subject groups (PWS or unaffected unrelated siblings) and chemokine levels were not correlated with percentage of total body fat. Additional studies are required to identify whether possible early immunological disturbances and chemokine inflammatory processes found in PWS may contribute to neurodevelopment and behavioral features. © 2015 Wiley Periodicals, Inc.
Association of achondroplasia with sagittal synostosis and scaphocephaly in two patients, an underestimated condition?
Authors: Accogli Andrea , Pacetti Mattia , Fiaschi Pietro , Pavanello Marco , Piatelli Gianluca , Nuzzi Daniele , Baldi Maurizia , Tassano Elisa , Severino Maria Savina , Allegri Anna , Capra Valeria
Published: February 2015

We report on two patients with an unusual combination of achondroplasia and surgically treated sagittal synostosis and scaphocephaly. The most common achondroplasia mutation, p.Gly380Arg in fibroblast growth factor receptor 3 (FGFR3), was detected in both patients. Molecular genetic testing ofFGFR1,FGFR2,FGFR3andTWIST1genes failed to detect any additional mutations. There are several reports of achondroplasia with associated craniosynostosis, but no other cases of scaphocephaly in children with achondroplasia have been described. Recently it has been demonstrated thatFGFR3mutations affect not only endochondral ossification but also membranous ossification, providing new explanations for the craniofacial hallmarks in achondroplasia. Our report suggests that the association of isolated scaphocephaly and other craniosynostoses with achondroplasia may be under recognized. © 2015 Wiley Periodicals, Inc.
Biochemical abnormalities in Pearson syndrome
Authors: Crippa Beatrice Letizia , Leon Eyby , Calhoun Amy , Lowichik Amy , Pasquali Marzia , Longo Nicola
Published: February 2015

Pearson marrow‐pancreas syndrome is a multisystem mitochondrial disorder characterized by bone marrow failure and pancreatic insufficiency. Children who survive the severe bone marrow dysfunction in childhood develop Kearns–Sayre syndrome later in life. Here we report on four new cases with this condition and define their biochemical abnormalities. Three out of four patients presented with failure to thrive, with most of them having normal development and head size. All patients had evidence of bone marrow involvement that spontaneously improved in three out of four patients. Unique findings in our patients were acute pancreatitis (one out of four), renal Fanconi syndrome (present in all patients, but symptomatic only in one), and an unusual organic aciduria with 3‐hydroxyisobutyric aciduria in one patient. Biochemical analysis indicated low levels of plasma citrulline and arginine, despite low‐normal ammonia levels. Regression analysis indicated a significant correlation between each intermediate of the urea cycle and the next, except between ornithine and citrulline. This suggested that the reaction catalyzed by ornithine transcarbamylase (that converts ornithine to citrulline) might not be very efficient in patients with Pearson syndrome. In view of low‐normal ammonia levels, we hypothesize that ammonia and carbamylphosphate could be diverted from the urea cycle to the synthesis of nucleotides in patients with Pearson syndrome and possibly other mitochondrial disorders. © 2015 Wiley Periodicals, Inc.
Formal Asymmetric Catalytic Thiolation with a Bifunctional Catalyst at a Water–Oil Interface: Synthesis of Benzyl Thiols
Authors: Guo Wengang , Wu Bo , Zhou Xin , Chen Ping , Wang Xu , Zhou Yong‐Gui , Liu Yan , Li Can
Published: February 2015

The enantioselective conjugated addition of tritylthiol to in situ generatedortho‐quinone methides (o‐QMs) is catalyzed by an acid–base bifunctional squaramide organocatalyst. The transformation proceeds with high yield (up to 99 %) and stereoselectivity (up to 97:3 e.r.) using water as solvent under mild conditions. The catalyst system provides a new strategy for the synthesis of optically active benzyl mercaptans. Control experiments suggested thato‐QMs are generated by the tertiary amine moiety of the squaramide organocatalyst and that the water–oil biphase is crucial for achieving high reactivity and stereoselectivity.
Asymmetric Ruthenium‐Catalyzed Hydrogenation of 2,6‐Disubstituted 1,5‐Naphthyridines: Access to Chiral 1,5‐Diaza‐cis‐Decalins
Authors: Zhang Jianwei , Chen Fei , He Yan‐Mei , Fan Qing‐Hua
Published: February 2015

The first asymmetric hydrogenation (AH) of 2,6‐disubstituted and 2,3,6‐trisubstituted 1,5‐naphthyridines, catalyzed by chiral cationic ruthenium diamine complexes, has been developed. A wide range of 1,5‐naphthyridine derivatives were efficiently hydrogenated to give 1,2,3,4‐tetrahydro‐1,5‐naphthyridines with up to 99 % ee and full conversions. This facile and green protocol is applicable to the scaled‐up synthesis of optically pure 1,5‐diaza‐cis‐decalins, which have been used as rigid chelating diamine ligands for asymmetric synthesis.
Iron‐Catalyzed Asymmetric Hydrosilylation of 1,1‐Disubstituted Alkenes
Authors: Chen Jianhui , Cheng Biao , Cao Minyi , Lu Zhan
Published: February 2015

The highly regio‐ and enantioselective iron‐catalyzed anti‐Markovnikov hydrosilylation of 1,1‐disubstituted aryl alkenes was developed using iminopyridine oxazoline ligands to afford chiral organosilanes. Additional derivatization of these products lead to chiral organosilanols, cyclic silanes, phenol derivatives, and 3‐substituted 2,3‐dihydrobenzofurans.
Heterogeneous Catalysis
Authors: Schlögl Robert
Published: February 2015

A heterogeneous catalyst is a functional material that continually creates active sites with its reactants under reaction conditions. These sites change the rates of chemical reactions of the reactants localized on them without changing the thermodynamic equilibrium between the materials.
TiO2‐Oligoaldaramide nanocomposites as efficient core‐shell systems for wood preservation
Authors: Oliva Rosangela , Salvini Antonella , Di Giulio Giuseppina , Capozzoli Laura , Fioravanti Marco , Giordano Cristiana , Perito Brunella
Published: February 2015

Homogeneous core‐shell systems were obtained with a growth, in controlled steps, of several oligoamides on TiO2 nanoparticles. Derivatives of natural compounds, such as l‐tartaric acid and α,α′‐trehalose, were used as diesters in the polycondensation reactions with ethylenediamine. TiO2 anatase was chosen because of its high photo‐activity and its antimicrobial activity. The TiO2 nanoparticles had been previously activated then functionalized using two different coupling agents, and finally, the TiO2‐oligoamide nanocomposites were synthesized using two synthetic pathways. The final products were characterized by 1H NMR, 13C NMR, FT‐IR, and transmission electron microscope. These nanocomposites can show improved properties in comparison with the single components (TiO2 nanoparticles or oligoamides), which are useful in many fields, such as antimicrobial coatings for surfaces in cultural heritage conservation. A nanocomposite (TiO2‐polyethylenetartaramide) was used for applicative studies, and it has shown a good efficacy against fungal attack by Trametes versicolor on wood specimens (Fagus sylvatica). © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 42047.
Regeneration of spent polymer resins in oily water treatment systems by application of nanoemulsion
Authors: Costa Josane A. , Queirós Yure G. C. , Mansur Claudia R. E.
Published: February 2015

In step production of oil wells, along with oil, also produces a large volume of water oily, which must be properly treated for disposal. Several absorbent materials have been developed and are highly effective for this purpose. However, they need regeneration when they reach saturation, because their discharge after each saturation cycle makes the process unfeasible from the cost and environmental standpoints. In this study, we investigated the efficiency of regenerating a methyl methacrylate‐divinylbenzene polymer resin spent in a system for continuous treatment of oily wastewater, in loco. The regeneration fluid used was an O/W nanoemulsion, which contain only 8% of environmentally friendly solvent and 80% of synthetic marine water. A kinetics desorption study of oil saturated resin was performed to identify the best times for desorption using the nanoemulsion. After one cycle of saturation, cleaning and resaturation, was observed that regeneration efficiency in continuous process of around 40%. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 42050.
Simple chemiluminescence determination of ketotifen using tris(1,10 phenanthroline)ruthenium(II)‐ Ce(IV) system
Authors: Mokhtari Ali , Ghazaeian Mehrgan , Maghsoudi Mahdieh , Keyvanfard Mohsen , Emami Iraj
Published: February 2015

A new method using chemiluminescence (CL) detection has been developed for the simple determination of ketotifen fumarate (KF). The method is based on the catalytic effect of KF in the CL reaction of tris(1,10 phenanthroline)ruthenium(II), Ru(phen)32+, with Ce(IV) in sulfuric acid medium. The CL response was detected using a lab‐made chemiluminometer. Effects of chemical variables were investigated and under optimum conditions, the CL intensity was proportional to the concentration of the drug over the range 0.34‐34.00 µg mL−1 KF. The limit of detection (S/N=3) was 0.09 µg mL−1. Effects of common ingredients were investigated and the method was applied successfully for determining KF in pharmaceutical formulations and human plasma. The percent of relative standard deviation (n=11) at level of 3.4 µg mL−1 of KF was 4.6% and the minimum sampling rate was 70 samples per hour. The possible CL mechanism is proposed based on the kinetic characteristic of the CL reaction, CL spectrum, UV‐Vis and phosphorescence spectra. Copyright © 2015 John Wiley & Sons, Ltd.
Fluorescence decay of dyed protozoa: differences between stressed and non‐stressed cysts
Authors: Santos Samuel Ricardo dos , Branco Nilson , Franco Regina Maura Bueno , Paterniani José Euclides Stipp , Katsumata Masakazu , Barlow Peter W. , de Mello Gallep Cristiano
Published: February 2015

Several series of tests have shown that fresh, intact samples of Giardia duodenalis and Cryptosporidium parvum (oo)cysts are not marked by fluorescent probes such as carboxyfluorcein‐succinimidyl‐diacetate‐ester (CFDA‐SE), C12‐resazurin and SYTOX® Green, probably because of their robust cell walls. These dyes fail to indicate the viability of such protozoa and allow negative responses to be recorded from living and infectious samples. Cryptosporidium parvum showed stronger isolation from chemicals, with living oocysts remaining unstained by the probe for up to 90 days after extraction. However, in further fluorescence decay (FD) experiments run with G. duodenalis samples stained using CFDA‐SE (comprising living, non‐stressed but aged cysts, heat‐killed samples and UV‐C‐stressed samples) each showed a different FD decay profile, here studied in seven series of tests of five replicates each. The FD profiles were fitted by double‐exponential decay kinetics, with the decay constant k2 being five times higher than k1. This FD procedure is fast and can be easily reproduced in 10 steps, taking ~ 1 h of laboratory work for already purified samples. Copyright © 2015 John Wiley & Sons, Ltd.
International validation of a risk score for complications and reinterventions after endovascular aneurysm repair
Authors: Karthikesalingam A , Vidal-Diez A , De Bruin J L , Thompson M M , Hinchliffe R J , Loftus I M , Holt P J
Published: February 2015

Background

Lifelong surveillance is considered mandatory after endovascular repair (EVAR) of abdominal aortic aneurysms to detect endograft complications and prevent aneurysm rupture. Current protocols are not cost-effective or clinically effective. The international validity of the St George's Vascular Institute (SGVI) score for EVAR complications was examined.

Methods

The ENGAGE registry recruited patients undergoing EVAR at 79 centres in 30 countries. Reinterventions and endograft complications were recorded for up to 3 years after surgery. Preoperative aneurysm morphology was extracted from the registry database, and used to predict whether patients would be at low or high risk of complications after EVAR based on the SGVI score. Kaplan–Meier analysis was used to compare the incidence of endograft complications and reinterventions in patients predicted to be at low risk compared with those predicted to be at high risk.

Results

Some 1207 patients underwent EVAR, with follow-up of up to 3 years. The SGVI score accurately discriminated freedom from reinterventions (90·5 versus 79·3 per cent in low- versus high-risk patients; P < 0·001), freedom from endograft complications (77·9 versus 69·6 per cent in low- versus high-risk patients; P = 0·012), and freedom from a composite outcome measure of reinterventions or endograft complications (75·0 versus 66·1 per cent in low- versus high-risk patients; P = 0·006) during mid-term follow-up.

Conclusion

This study has provided international validation of a morphological risk score that predicts mid-term reinterventions and endograft complications. The results may enable risk-stratified surveillance after EVAR.
Experimental and Computational Insights into Carbon Dioxide Fixation by RZnOH Species
Authors: Sokołowski Kamil , Bury Wojciech , Tulewicz Adam , Cieślak Anna M. , Justyniak Iwona , Kubicki Dominik , Krajewska Elżbieta , Milet Anne , Moszyński Robert , Lewiński Janusz
Published: February 2015

Organozinc hydroxides, RZnOH, possessing the proton‐reactive alkylzinc group and the CO2‐reactive ZnOH group, represent an intriguing group of organometallic precursors for the synthesis of novel zinc carbonates. Comprehensive experimental and computational investigations on 1) solution and solid‐state behavior of tBuZnOH (1) species in the presence of Lewis bases, namely, THF and 4‐methylpyridine; 2) step‐by‐step sequence of the reaction between 1 and CO2; and 3) the effect of a donor ligand and/or an excess of tBu2Zn as an external proton acceptor on the reaction course are reported. DFT calculations for the insertion of carbon dioxide into the dinuclear alkylzinc hydroxide 12 are fully consistent with 1H NMR spectroscopy studies and indicate that this process is a multistep reaction, in which the insertion of CO2 seems to be the rate‐determining step. Moreover, DFT studies show that the mechanism of the rearrangement between key intermediates, that is, the primary alkylzinc bicarbonate with a proximal position of hydrogen and the secondary alkylzinc bicarbonate with a distal position of hydrogen, most likely proceeds through internal rotation of the dinuclear bicarbonate.
EnantioselectiveAldol Reaction Between Isatins and Cyclohexanone Catalyzed by Amino Acid Sulphonamides
Authors: Wang Jun , Liu Qi , Hao Qing , Sun Yanhua , Luo Yiming , Yang Hua
Published: February 2015

Sulphonamides derived from primary α‐amino acid were successfully applied to catalyze the aldol reaction between isatin and cyclohexanone under neat conditions. More interestingly, molecular sieves, as privileged additives, were found to play a vital role in achieving high enantioselectivity. Consequently, high yields (up to 99%) along with good enantioselectivities (up to 92% ee) and diastereoselectivities (up to 95:5 dr) were obtained. In addition, this reaction was also conveniently scaled up, demonstrating the applicability of this protocol. Chirality 27:314‐319, 2015. © 2015 Wiley Periodicals, Inc.
Ökonomisch/ökologische Betrachtung zur Herstellung von Wasserstoff in Großanlagen
Authors: Machhammer Otto , Bode Andreas , Hormuth Wolfgang
Published: February 2015

Wasserstoff wird häufig als Energieträger der Zukunft gesehen. Neue Technologien sollen H2 zu konkurrenzfähigen Produktkosten aber mit einem deutlich geringeren Carbon‐Footprint herstellen. Anhand der Kriterien Produktkosten und Carbon Footprint werden die konventionellen Technologien Methane Steam Reforming und Kohlevergasung mit den neuen Technologien Metalloxid‐Kreisprozess, Wasserelektrolyse, Biomassevergasung und Methan‐Pyrolyse verglichen. Für die Ermittlung des Carbon Footprints der Methan‐Pyrolyse wird eine Betrachtung mit Systemraumerweiterung und Differenzenbildung durchgeführt. Unter den gewählten Randbedingungen ergeben sich für die Pyrolyse insgesamt sehr gute Werte für Produktkosten und Carbon Footprint. Aufgrund der Ergebnisse wurde eine branchenübergreifende Entwicklung der Methan‐Pyrolyse angestoßen.
In‐situ‐Stoffübergangsmessungen mit Computertomographie: Auswahl des Testsystems
Authors: Schug Sebastian , Arlt Wolfgang
Published: February 2015

Der Stoffübergang von einer Gasphase in einen Flüssigkeitsfilm auf einer Packung soll mithilfe der Computertomographie in‐situ gemessen und verfolgt werden. Hierfür wird ein geeignetes Stoffpaar gesucht, das einen ausreichend dicken Film auf einer Packung ausbildet und dessen Komponenten in den aus der Computertomographie erhaltenen Bildern unterschieden werden können. Hierfür wurden zunächst die Filmdicken verschiedener Komponenten auf einer Mellapak‐Packung bestimmt und anschließend schwere Gase auf ihre Röntgenaktivität in der Gasphase und als gelöster Stoff in der Flüssigkeit untersucht. Die maximale Löslichkeit des Gases in der Flüssigkeit wurde durch die Simulation des Dampf‐Flüssig‐Gleichgewichts mithilfe des quantenchemischen Modells COSMO‐RS bestimmt.
Looking for Efficient G‐Quadruplex Ligands: Evidence for Selective Stabilizing Properties and Telomere Damage by Drug‐Like Molecules
Authors: Pagano Bruno , Amato Jussara , Iaccarino Nunzia , Cingolani Chiara , Zizza Pasquale , Biroccio Annamaria , Novellino Ettore , Randazzo Antonio
Published: February 2015

There is currently significant interest in the development of G‐quadruplex‐interactive compounds, given the relationship between the ability to stabilize these non‐canonical DNA structures and anticancer activity. In this study, a set of biophysical assays was applied to evaluate the binding of six drug‐like ligands to DNA G‐quadruplexes with different folding topologies. Interestingly, two of the investigated ligands showed selective G‐quadruplex‐stabilizing properties and biological activity. These compounds may represent useful leads for the development of more potent and selective ligands.
Novel bioequivalence approach for narrow therapeutic index drugs
Authors: Yu LX , Jiang W , Zhang X , Lionberger R , Makhlouf F , Schuirmann DJ , Muldowney L , Chen M‐L , Davit B , Conner D , Woodcock J
Published: February 2015

Narrow therapeutic index drugs are defined as those drugs where small differences in dose or blood concentration may lead to serious therapeutic failures and/or adverse drug reactions that are life‐threatening or result in persistent or significant disability or incapacity. The US Food and Drug Administration proposes that the bioequivalence of narrow therapeutic index drugs be determined using a scaling approach with a four‐way, fully replicated, crossover design study in healthy subjects that permits the simultaneous equivalence comparison of the mean and within‐subject variability of the test and reference products. The proposed bioequivalence limits for narrow therapeutic index drugs of 90.00%–111.11% would be scaled based on the within‐subject variability of the reference product. The proposed study design and data analysis should provide greater assurance of therapeutic equivalence of narrow therapeutic index drug products.
In silico‐derived bedside formula for individualized micafungin dosing for obese patients in the age of deterministic chaos
Authors: Pasipanodya JP , Hall RG , Gumbo T
Published: February 2015

There are 2.1 billion people worldwide who are overweight or obese. However, most current doses of drugs were derived for normal weight patients. For several drugs, the relationship between clearance and patient weight follows fractal geometry rules. Clearance directly determines the area under the concentration time curve (AUC) after i.v. infusion. For micafungin, AUC‐to‐minimum inhibitory concentration (AUC/MIC) ratios have a close deterministic relationship with efficacy in candidiasis; an AUC/MIC ≥3,000 is associated with 98% efficacy. We performed computer‐aided clinical trial simulations of 100,000 patients with candidiasis to identify the lowest micafungin dose able to achieve AUC/MIC ≥3,000 in patients weighing up to 200 kg. We used the cumulative fraction of response to derive the formula “Dose (mg) = patient weight + 42” for use by the clinician at the bedside to individualize micafungin doses for overweight and obese patients. This paradigm for dose individualization could be used to optimize efficacy for many classes of anti‐infective agents in obese patients.
Experimentally driven quality of experience‐aware multimedia content delivery in modern wireless networks
Authors: Aristomenopoulos Georgios , Kaldanis Vassilios , Katsaros Giannis , Papavassiliou Symeon
Published: February 2015

In this paper, a holistic approach for supporting Quality of Experience (QoE)‐aware multimedia content delivery to modern wireless networks is described. The introduced Dynamic User Experience framework, founded on network utility maximization theory, allows mobile users to express their preference with respect to the instantaneous experience of their service performance, through the dynamic adaptation of their service‐aware utility functions. By developing and exploiting an Android‐based mobile multimedia application prototype capable of capturing users' quality perception with respect to multiple psychological and networking factors, an efficient correlation of users' QoE and service performance characteristics is derived. Based on real user data obtained through experimentation, we are able to quantify appropriately defined QoE‐aware utility functions that can be used throughout the overall radio resource management process. Extensive numerical results verify our analytical claims on the efficacy and applicability of the proposed framework in a heterogeneous wireless environment, significantly optimizing mobile Internet experience. Copyright © 2015 John Wiley & Sons, Ltd.
High‐resolution analysis of central nervous system expression patterns in zebrafish Gal4 enhancer‐trap lines
Authors: Otsuna Hideo , Hutcheson David A. , Duncan Robert N. , McPherson Adam D. , Scoresby Aaron N. , Gaynes Brooke F. , Tong Zongzong , Fujimoto Esther , Kwan Kristen M. , Chien Chi‐Bin , Dorsky Richard I.
Published: February 2015

Background: The application of the Gal4/UAS system to enhancer and gene trapping screens in zebrafish has greatly increased the ability to label and manipulate cell populations in multiple tissues, including the central nervous system (CNS). However the ability to select existing lines for specific applications has been limited by the lack of detailed expression analysis. Results: We describe a Gal4 enhancer trap screen in which we used advanced image analysis, including three‐dimensional confocal reconstructions and documentation of expression patterns at multiple developmental time points. In all, we have created and annotated 98 lines exhibiting a wide range of expression patterns, most of which include CNS expression. Expression was also observed in nonneural tissues such as muscle, skin epithelium, vasculature, and neural crest derivatives. All lines and data are publicly available from the Zebrafish International Research Center (ZIRC) from the Zebrafish Model Organism Database (ZFIN). Conclusions: Our detailed documentation of expression patterns, combined with the public availability of images and fish lines, provides a valuable resource for researchers wishing to study CNS development and function in zebrafish. Our data also suggest that many existing enhancer trap lines may have previously uncharacterized expression in multiple tissues and cell types. Developmental Dynamics 244:785–796, 2015. © 2015 Wiley Periodicals, Inc.
Optimal Pricing Algorithm in the Electricity Market with Battery and Accumulator and Demand–Supply Balancing
Authors: Miyano Yuki , Namerikawa Toru
Published: February 2015

This paper considers the day‐ahead market with batteries and accumulators to level power generation. First, we model consumers with batteries, generators with batteries, and accumulators, all of whom strive to maximize their own profit. An optimal pricing algorithm based on dual decomposition and the steepest descent method is derived and shown to be stable. Finally, the effectiveness of the algorithm is demonstrated by means of numerical simulations which indicate that it achieves demand–supply balance.
Visualization of PWM Strategy for a Direct Matrix Converter During Input and Output Voltage Periods
Authors: Asai Inami , Takeshita Takaharu
Published: February 2015

This paper presents a visualization of the PWM strategy of a matrix converter during input and output voltage periods. General relations for the duty cycles based on the input current references and the output voltage references are derived. Because the input current references and the output voltage references are treated as continuous values in the time domain, the PWM strategy can be extended to the input and output voltage periods from the control period treated as constant values. At a low carrier frequency compared with the actual frequency, the PWM patterns that reduce the number of commutations for switching loss reduction can be visualized. The PWM strategy can be directly evaluated by using the waveforms of the input current and the output voltage. In the transient state with change of the output voltage reference, the output voltage and input current can be visualized. The effectiveness of the visualization of the PWM strategy has been verified by comparison with the experimental waveforms.
Theoretical Analysis of Harmonics in PWM Output Waveform of Multilevel Inverters
Authors: Obara Hidemine , Oguri Hiroshi , Sato Yukihiko
Published: February 2015

Multilevel inverters have very attractive features, such as lower harmonics in the output, lower EMI, and reduction of the required voltage rating of power semiconductor devices. Among them, lower harmonics in the output can reduce the volume of the output harmonic filter and additional losses caused by the harmonics. Therefore, multilevel inverters are expected to realize higher power density and higher efficiency. In this paper, as a basis of the quantitative investigation of these features, the harmonics in the PWM output voltage of multilevel inverters are analyzed theoretically. As an application of the theoretical results, the usefulness of the theoretical results is verified by the prediction of the harmonic contents of the load current.
Machining effects of different mechanical crushers on pit particle size and oil drop distribution in olive paste
Authors: Leone Alessandro , Romaniello Roberto , Zagaria Riccardo , Sabella Erika , De Bellis Luigi , Tamborrino Antonia
Published: February 2015

The purpose of this study is to evaluate the effects of the mechanical components of the crushers on pits and oil droplet fractionation. The olive pastes obtained using four different crushing systems were compared. Analyses of the pit particle size distribution and oil drop aggregation were performed. The analysis of the experimental data shows that different crushing machines produce different pit and oil drop fragmentation, and the trends confirm that increased pit fragmentation corresponds to increased droplet fragmentation. Therefore, the results confirm that the partial de‐pitter and hammer crusher yielded the greatest enhancement in emulsification of oil droplets, and the stone mill and disc crusher yielded the greatest aggregation of oil droplets.

Practical applications: The practical application of this work includes understanding the effects of four different crushers on oil drops and pit fragmentation. The experimental data could be useful to define the best malaxation time and to gain a better understanding of the minor components distribution in olive oil. The results obtained could be used to construct a guideline for the design and sizing of crushing machines.

Different crushing machines produce different pit and oil drop fragmentation, and the trends confirm that increased pit fragmentation corresponds to increased droplet fragmentation. The data expressed in this research could be used to construct a guideline for the design and sizing of crushing machines with the goal of achieving a balance between pulp fragmentation, pit breakage and oil drop fragmentation.
Asymmetric Synthesis of Concentricolide
Authors: Liu Xiaojing , Hu Lingling , Jiang Lizhen , Jia Junhao , Zhang Di , Chen Xiaochuan
Published: February 2015

A practical strategy for the synthesis of both (–)‐ and (+)‐concentricolide from salicylic acid has been developed. The key feature of the approach is sequential aromatic lithiation and condensation with an aldehyde directed by a chiral oxazoline unit derived either from L‐ or D‐phenylalaninol, which is employed as an auxiliary.
The Suzuki–Miyaura Reaction Performed Using a Palladium–N‐Heterocyclic Carbene Catalyst and a Weak Inorganic Base
Authors: Izquierdo Frédéric , Corpet Martin , Nolan Steven P.
Published: February 2015

N‐Heterocyclic carbenes (NHCs) have been shown to be useful ligands for the Suzuki–Miyaura cross‐coupling at low catalyst loadings. We now report that the commercially available and air‐stable [Pd(IPr)(cin)Cl] pre‐catalyst permits the formation of various functionalized biaryls from aryl chlorides and boronic acids (37 examples) under very mild conditions using a mixture of ethanol/water as solvent and an inorganic base.
Indium(III)‐Catalyzed Reductive Monoalkylation of Electron‐Rich Benzenes with Aliphatic Carboxylic Acids Leading to Arylalkane Derivatives
Authors: Moriya Toshimitsu , Takayama Kentaro , Konakahara Takeo , Ogiwara Yohei , Sakai Norio
Published: February 2015

Described herein is the reaction of electron‐rich aromatic compounds with aliphatic carboxylic acids treated with a catalytic amount (5 mol‐%) of InI3, 1,1,3,3‐tetramethyldisiloxane (TMDS), and molecular iodine. The reductive monoalkylation occurs smoothly to produce the corresponding arylalkane derivatives.
Experimental study on hardening a motorcoach against tire fire penetration
Authors: Johnsson Erik , Yang Jiann C.
Published: February 2015

Three full‐scale fire experiments were conducted to assess methods of hardening the motorcoach against penetration of a tire fire. The first method was to replace the combustible fender and exterior side panel above the wheels with stainless steel sheet metal. The second method was to coat the plastic fender and side panel with an intumescent layer. The third method was to install a sheet steel fire plume deflector between the fender and side panel. A special burner was used that imitates the frictional heating of hub and wheel metal caused by failed axle bearings, locked brakes, or dragged blown tires. For each experiment, heating to obtain tire ignition was initiated on the exterior of the passenger side tag axle wheel. Measurements of interior and exterior temperatures, interior heat flux, and heat release rate were performed. Standard and infrared videos and still photographs were recorded. The experimental results were compared with those obtained with no fire hardening. The metal replacement method performed best and prevented fire penetration for over 30 min longer than the nonhardened cases. The intumescent coating extended fire penetration by about 20 min longer than the nonhardened cases. The steel plume deflector had no significant impact on the timing for fire penetration of the windows. Published 2015. This article is a U.S. Government work and is in the public domain in the USA.
Deciphering Genome Environment Wide Interactions Using Exposed Subjects Only
Authors: Zhao Lue Ping , Fan Wenhong , Goodman Gary , Radich Jerry , Martin Paul
Published: February 2015

The recent successes of genome‐wide association studies (GWAS) have renewed interest in genome environment wide interaction studies (GEWIS) to discover genetic factors that modulate penetrance of environmental exposures to human diseases. Indeed, gene‐environment interactions (G × E), which have not been emphasized in the GWAS era, could be a source contributing to the missing heritability, a major bottleneck limiting continuing GWAS successes. In this manuscript, we describe a design and analytic strategy to focus on G × E using only exposed subjects, dubbed as e‐GEWIS. Operationally, an e‐GEWIS analysis is equivalent to a GWAS analysis on exposed subjects only, and it has actually been used in some earlier GWAS without being explicitly identified as such. Through both analytics and simulations, e‐GEWIS has been shown better efficiency than the usual cross‐product‐based analysis of G × E interaction with both cases and controls (cc‐GEWIS), and they have comparable efficiency to case‐only analysis of G × E (c‐GEWIS), with potentially smaller sample sizes. The formalization of e‐GEWIS here provides a theoretical basis to legitimize this framework for routine investigation of G × E, for more efficient G × E study designs, and for improvement of reproducibility in replicating GEWIS findings. As an illustration, we apply e‐GEWIS to a lung cancer GWAS data set to perform a GEWIS, focusing on gene and smoking interaction. The e‐GEWIS analysis successfully uncovered positive genetic associations on chromosome 15 among current smokers, suggesting a gene‐smoking interaction. Although this signal was detected earlier, the current finding here serves as a positive control in support of this e‐GEWIS strategy.
Aging‐like changes in the transcriptome of irradiated microglia
Authors: Li Matthew D. , Burns Terry C. , Kumar Sunny , Morgan Alexander A. , Sloan Steven A. , Palmer Theo D.
Published: February 2015

Whole brain irradiation remains important in the management of brain tumors. Although necessary for improving survival outcomes, cranial irradiation also results in cognitive decline in long‐term survivors. A chronic inflammatory state characterized by microglial activation has been implicated in radiation‐induced brain injury. We here provide the first comprehensive transcriptional profile of irradiated microglia. Fluorescence‐activated cell sorting was used to isolate CD11b+ microglia from the hippocampi of C57BL/6 and Balb/c mice 1 month after 10 Gy cranial irradiation. Affymetrix gene expression profiles were evaluated using linear modeling and rank product analyses. One month after irradiation, a conserved irradiation signature across strains was identified, comprising 448 and 85 differentially up‐ and downregulated genes, respectively. Gene set enrichment analysis demonstrated enrichment for inflammation, including M1 macrophage‐associated genes, but also an unexpected enrichment for extracellular matrix and blood coagulation‐related gene sets, in contrast previously described microglial states. Weighted gene coexpression network analysis confirmed these findings and further revealed alterations in mitochondrial function. The RNA‐seq transcriptome of microglia 24‐h postradiation proved similar to the 1‐month transcriptome, but additionally featured alterations in apoptotic and lysosomal gene expression. Reanalysis of published aging mouse microglia transcriptome data demonstrated striking similarity to the 1‐month irradiated microglia transcriptome, suggesting that shared mechanisms may underlie aging and chronic irradiation‐induced cognitive decline. GLIA 2015;63:754–767
Relationship between regional cerebral blood flow and neuropsychiatric symptoms in dementia with Lewy bodies
Authors: Yoshida Taku , Mori Takaaki , Yamazaki Kiyohiro , Sonobe Naomi , Shimizu Hideaki , Matsumoto Teruhisa , Kikuchi Keiichi , Miyagawa Masao , Mochizuki Teruhito , Ueno Shu‐ichi
Published: February 2015

Objective

This aim of this study was to examine the mechanisms underlying the neuropsychiatric symptoms in dementia with Lewy bodies by investigating regional cerebral blood flow.

Methods

Participants were 27 patients who fulfilled the diagnostic criteria for probable dementia with Lewy bodies. All subjects underwent single‐photon emission computed tomography scans using technetium‐99 m hexamethylpropyleneamine oxime. Neuropsychiatric symptoms were evaluated by neuropsychiatric inventory. Multiple regression analyses using neuropsychiatric inventory and voxel‐based analyses of covariance of the regional cerebral blood flow images between subjects with or without each neuropsychiatric symptom were performed. Additionally, similar voxel‐based analyses of covariance between subjects with each neuropsychiatric symptom and normal subjects were performed.

Results

There were no significant correlations in any psychiatric symptoms in multiple regression analyses. All subjects had hallucination but none had euphoria. We analyzed eight neuropsychiatric symptom scores with the exception of hallucination and euphoria using voxel‐based analyses of covariance. Significant differences of regional cerebral blood flow were shown in groups with agitation, disinhibition, and irritability. Subjects with agitation showed hypoperfusion in the parietal lobule, the precuneus, and the angular gyrus, and hyperperfusion in the fusiform gyrus, the lingual gyrus, and the thalamus. Subjects with disinhibition showed hypoperfusion in the left frontal gyrus. Subjects with irritability showed hyperperfusion in the right frontal gyrus. There were no significant differences in regional cerebral blood flow between subjects with any neuropsychiatric symptoms and normal subjects.

Conclusion

This study reveals that dysfunction of specific brain regions is associated with various neuropsychiatric symptoms in dementia with Lewy bodies. Copyright © 2015 John Wiley & Sons, Ltd.