bluuebunny/crossref_metadata_2025 huggingface dataset:
A summer weather index in the East Asian pressure field and associated atmospheric circulation and rainfall
Authors: Zhao Ping , Zhu Yani , Zhang Qin
Published: December 2010

Using the daily rainfall from rain gauge stations in China and the daily data from the National Centers for Environmental Prediction‐National Center for Atmospheric Research (NCEP‐NCAR) reanalysis for each year of 1981–2008, a relationship between daily rainfall over the Yangtze‐Huaihe River basin (YHB) and surface pressure over East Asia was statistically investigated and a summer weather index (ISW) was defined from surface pressure for describing the daily variations of the atmospheric circulation and rainfall over the monsoon region of eastern China. The results show that the daily ISW is significantly correlated with the YHB rainy weather during summer. In higher‐ISW days, there is usually more YHB rainfall. This link may be explained by the East Asian atmospheric circulation well. When ISW is higher, a low‐pressure system frequently occurs over the land of southern China and an enhanced ridge appears over the South China Sea (SCS)–subtropical western Pacific region, which strengthens the seaward pressure gradient and southwesterly winds over southern China. Accordingly, the transport of water vapour toward the YHB and the ascending motion over the YHB strengthen remarkably. These variations in the daily atmospheric circulation finally lead to the frequent occurrence of the YHB rainy weather. Thus, ISW can represent the variations of the atmospheric circulation and rainy weather for most of the years of 1981–2008. For some extremely dry years over the YHB, however, ISW does not indicate the local large‐scale rainfall well. This suggests an asymmetric descriptive ability of this index. Copyright © 2010 Royal Meteorological Society
Effects of molecular characteristics of on konjac glucomannan glass transitions of potato amylose, amylopection and their mixtures
Authors: Guo Li , Liang Qin , Du Xianfeng
Published: December 2010

BACKGROUND: The purpose of this study was to explore further the functions of konjac glucomannan (KGM) in starch‐based foods. Experiments were carried out using the mixed amylose/amylopectin/KGM system as a model. High‐speed differential scanning calorimetry (hyper‐DSC) with the support of high‐performance size exclusion chromatography (HPSEC) equipped with multi‐angle laser light scattering (MALLS) and differential refractive index (RI), X‐ray diffractometry (XRD) and viscosimetry was used to investigate the effects of KGM on glass transition temperatures (Tgs) of mixtures with different amylose/amylopectin ratios.

RESULTS: Hyper‐DSC results showed that the Tgs of amylose, amylopection and their mixtures decreased with increasing concentration of KGM. Based on the molecular characteristics of KGM, HPSEC‐MALLS‐RI, viscosimetry and XRD results showed that the molar masses of KGM ranged from 1.023 × 106 to 1.329 × 106 g mol−1; the root mean square (RMS) radii were distributed from 110.5 to 129.6 nm, and Mw/Mn was 1.017. KGM was a linear molecule with random‐coil conformation in solution and the crystallinity was 0.00%.

CONCLUSION: It is suggested that the addition of KGM has plasticizing effects on the structures of amylose and amylopectin, which can increase free volume and molecular movement of amylose and amylopectin chains, resulting in a decrease in their Tgs. Copyright © 2010 Society of Chemical Industry
A Case study: discussion of factors and challenges for urban cultural tourism development
Authors: Wang Suosheng , Yamada Naoko , Brothers Linda
Published: December 2010

With both qualitative and quantitative approaches, this study examined the success factors of cultural tourism development. It discussed reasons why some cities may find it challenging to sustain cultural tourism development. The findings suggested that the lack of advantageous factors may be because all factors were highly related and that one factor's defect in marketing could easily affect the performance of all other factors. The challenge for cultural tourism development in a less competitive destination may be more related to elementary problems such as governmental leadership and funding rather than the important factors emphasized in theoretical models. Copyright © 2010 John Wiley & Sons, Ltd.
Industriechemikalien durch Olefin‐Metathese natürlicher Fettsäureester
Authors: Warwel Siegfried
Published: December 2010

Über Nachwachsende Rohstoffe wird seit einigen Jahren diskutiert: Insbesondere Cellulose, Stärke und Zucker sowie natürliche Öle und Fette könnten die Rohstoffbasis der chemischen Industrie ergänzen und erweitern sowie Anbau‐Alternativen für die Landwirtschaft eröffnen.
Industrielle Wirkstofforschung und Theoretische Chemie
Authors: Egner Ursula , Eckle Emil , Heinrich Nikolaus , Hoyer Georg‐Alexander
Published: December 2010

Bei der Suche nach neuen Wirkstoffen für Pharmazeutika und Pflanzenschutzmittel müssen immer mehr Verbindungen synthetisiert werden. Wirksam unterstützt werden die Synthesegruppen bei der Wirkstofforschung durch theoretische Chemiker, die vielfältige und zum Teil komplementäre Erfahrungen in diese Kooperation einbringen, z.B. Struktur‐Wirkungs‐Analysen, Molecular Modelling von Proteinen und Rezeptoren, ab initio‐Rechnungen.
Unsere Erde braucht Ideen
Authors: Fiedler Walfgang J.
Published: December 2010

Unter diesem Slogan präsentierte die Degussa AG, Frankfurt a.M., am 4. Juni in einer Forschungspressekonferenz am Standort Hanau‐Wolfgang ihre aktuellen Neuentwicklungen aus Forschung und Entwicklung.
GDCh‐Statistik der Chemiestudiengänge 1997
Authors: Schmitz Karin
Published: December 2010

Der folgende Bericht faßt die Ergebnisse der jährlichen GDCh‐Erhebung zu den Chemiestudiengängen in Deutschland zusammen und stellt die wichtigsten Daten und Trends aus den Studiengängen Chemie, Biochemie, Lebensmittelchemie und Lehramt Chemie vor. In die Umfrage sind die Chemiestudiengänge der Universitäten und Technischen Hochschulen, der Fachhochschulen und die Diplom l‐Studiengänge der Gesamthochschulen einbezogen. Die vollständigen Ergebnisse der statistischen Erhebungen sind als Broschüre bei der GDCh‐Geschäftsstelle erhältlich.
Ideologiebehafteter Ökoaktionismus?
Authors: Hug Heinz , Schrenk Dieter
Published: December 2010

Die Neufestsetzung der Werte für die tolerierbare tägliche Aufnahme an Dioxinen durch die WHO reizt zum Widerspruch
Molecular imaging of tumor invasion and metastases: the role of MRI
Authors: McCann Thomas E. , Kosaka Nobuyuki , Turkbey Baris , Mitsunaga Makoto , Choyke Peter L. , Kobayashi Hisataka
Published: December 2010

The processes of tumor invasion and metastasis have been well characterized at the molecular level, and numerous biomarkers of tumor aggressiveness have been discovered. Molecular imaging offers the opportunity to depict specific cell markers relevant to tumor aggressiveness. Here, we describe the role of MRI in identifying tumor invasiveness and metastasis with reference to other methods. Target‐specific molecular imaging probes for tumor invasiveness have been developed for positron emission tomography and optical imaging, but progress in MRI has been slower. For example, proteases associated with tumor invasion, such as specific matrix metalloproteinases or cathepsins, can be targeted in vivo using optical and positron emission tomography methods, but have not yet been successful with MRI. In addition, we describe the use of MRI to detect metastases. Novel MR contrast agents based on iron oxide and dendrimer nanomaterials allow for better characterization of tumor metastases. Organ‐specific MR contrast agents are used to identify metastatic disease in the liver. Finally, diffusion‐weighted whole‐body MRI is discussed as an alternative offered by MRI that does not require the use of molecular probes to screen distant metastases. Published in 2010 by John Wiley & Sons, Ltd.
Neural correlates of motor imagery for elite archers
Authors: Chang Yongmin , Lee Jae‐Jun , Seo Jee‐Hye , Song Hui‐Jin , Kim Yang‐Tae , Lee Hui Joong , Kim Hye Jung , Lee Jongmin , Kim Woojong , Woo Minjung , Kim Jin Gu
Published: December 2010

Motor imagery is a mental rehearsal of simple or complex motor acts without overt body movement. It has been proposed that the association between performance and the mental rehearsal period that precedes the voluntary movement is an important point of difference between highly trained athletes and beginners. We compared the activation maps of elite archers and nonarchers during mental rehearsal of archery to test whether the neural correlates of elite archers were more focused and efficiently organised than those of nonarchers. Brain activation was measured using functional MRI in 18 right‐handed elite archers and 18 right‐handed nonarchers. During the active functional MRI imagery task, the participants were instructed to mentally rehearse their archery shooting from a first‐person perspective. The active imagery condition was tested against the nonmotor imagery task as a control condition. The results showed that the premotor and supplementary motor areas, and the inferior frontal region, basal ganglia and cerebellum, were active in nonarchers, whereas elite archers showed activation primarily in the supplementary motor areas. In particular, our result of higher cerebellar activity in nonarchers indicates the increased participation of the cerebellum in nonarchers when learning an unfamiliar archery task. Therefore, the difference in cerebellar activation between archers and nonarchers provides evidence of the expertise effect in the mental rehearsal of archery. In conclusion, the relative economy in the cortical processes of elite archers could contribute to greater consistency in performing the specific challenge in which they are highly practised. Copyright © 2010 John Wiley & Sons, Ltd.
Combined 1H and 31P spectroscopy provides new insights into the pathobiochemistry of brain damage in multiple sclerosis
Authors: Hattingen Elke , Magerkurth Jörg , Pilatus Ulrich , Hübers Annemarie , Wahl Mathias , Ziemann Ulf
Published: December 2010

1H MRSI has evolved as an important tool to study the onset and progression of brain damage in multiple sclerosis. Abnormal increases in total creatine, total choline and myoinositol have been noted in multiple sclerosis. However, the pathobiochemical mechanisms related to these changes are still largely unclear. The combination of 1H MRSI and 1H‐decoupled 31P MRSI can specify to what extent phosphorylated components of total creatine and total choline contribute to this increase. Combined 1H and 31P MRSI data were obtained at 3 T in 22 patients with multiple sclerosis and in 23 healthy controls, and aligned with structural MRI to allow for correction for partial volume effects caused by cerebrospinal fluid and lesion load. A significant increase in total creatine was found in multiple sclerosis, and this was attributed to equal changes in the phosphorylated and unphosphorylated components. The concentrations of the putative glial markers total creatine and myoinositol in lesion‐free 1H MRSI voxels correlated with the global lesion load. We conclude that changes in total creatine are not related to altered energy metabolism, but rather indicate gliosis. Together with the increase in myoinositol, total creatine can be considered as a biomarker for disease severity. A significant total choline increase was mainly a result of choline components not visible by 31P MRS. The origin of this residual choline fraction remains to be investigated. Copyright © 2010 John Wiley & Sons, Ltd.
In vivo characterization of the liver fat 1H MR spectrum
Authors: Hamilton Gavin , Yokoo Takeshi , Bydder Mark , Cruite Irene , Schroeder Michael E. , Sirlin Claude B. , Middleton Michael S.
Published: December 2010

A theoretical triglyceride model was developed for in vivo human liver fat 1H MRS characterization, using the number of double bonds (CHCH), number of methylene‐interrupted double bonds (CHCHCH2CHCH) and average fatty acid chain length. Five 3 T, single‐voxel, stimulated echo acquisition mode spectra (STEAM) were acquired consecutively at progressively longer TEs in a fat–water emulsion phantom and in 121 human subjects with known or suspected nonalcoholic fatty liver disease. T2‐corrected peak areas were calculated. Phantom data were used to validate the model. Human data were used in the model to determine the complete liver fat spectrum. In the fat–water emulsion phantom, the spectrum predicted by the model (based on known fatty acid chain distribution) agreed closely with spectroscopic measurement. In human subjects, areas of CH2 peaks at 2.1 and 1.3 ppm were linearly correlated (slope, 0.172; r = 0.991), as were the 0.9 ppm CH3 and 1.3 ppm CH2 peaks (slope, 0.125; r = 0.989). The 2.75 ppm CH2 peak represented 0.6% of the total fat signal in high‐liver‐fat subjects. These values predict that 8.6% of the total fat signal overlies the water peak. The triglyceride model can characterize human liver fat spectra. This allows more accurate determination of liver fat fraction from MRI and MRS. Copyright © 2010 John Wiley & Sons, Ltd.
In vivo characterization of tissue thermal properties of the kidney during local hyperthermia induced by MR‐guided high‐intensity focused ultrasound
Authors: Cornelis François , Grenier Nicolas , Moonen Chrit T , Quesson Bruno
Published: December 2010

The purpose of this study was to evaluate quantitatively in vivo the tissue thermal properties during high‐intensity focused ultrasound (HIFU) heating. For this purpose, a total of 52 localized sonications were performed in the kidneys of six pigs with HIFU monitored in real time by volumetric MR thermometry. The kidney perfusion was modified by modulation of the flow in the aorta by insertion of an inflatable angioplasty balloon. The resulting temperature data were analyzed using the bio‐heat transfer model in order to validate the model under in vivo conditions and to estimate quantitatively the absorption (α), thermal diffusivity (D) and perfusion (wb) of renal tissue. An excellent correspondence was observed between the bio‐heat transfer model and the experimental data. The absorption and thermal diffusivity were independent of the flow, with mean values (± standard deviation) of 20.7 ± 5.1 mm3 K J−1 and 0.23 ± 0.11 mm2 s−1, respectively, whereas the perfusion decreased significantly by 84% (p < 0.01) with arterial flow (mean values of wb of 0.06 ± 0.02 and 0.008 ± 0.007 mL−1 mL s−1), as predicted by the model. The quantitative analysis of the volumetric temperature distribution during nondestructive HIFU sonication allows the determination of the thermal parameters, and may therefore improve the quality of the planning of noninvasive therapy with MR‐guided HIFU. Copyright © 2010 John Wiley & Sons, Ltd.
MRI and quantitative autoradiographic studies following bolus injections of unlabeled and 14C‐labeled gadolinium‐diethylenetriaminepentaacetic acid in a rat model of stroke yield similar distribution volumes and blood‐to‐brain influx rate constants
Authors: Nagaraja Tavarekere N. , Ewing James R. , Karki Kishor , Jacobs Paul E. , Divine George W. , Fenstermacher Joseph D. , Patlak Clifford S. , Knight Robert A.
Published: December 2010

In previous studies on a rat model of transient cerebral ischemia, the blood and brain concentrations of gadolinium‐diethylenetriaminepentaacetic acid (Gd‐DTPA) following intravenous bolus injection were repeatedly assessed by dynamic contrast‐enhanced (DCE)‐MRI, and blood‐to‐brain influx rate constants (Ki) were calculated from Patlak plots of the data in areas with blood–brain barrier (BBB) opening. For concurrent validation of these findings, after completing the DCE‐MRI study, radiolabeled sucrose or α‐aminoisobutyric acid was injected intravenously, and the brain disposition and Ki values were calculated by quantitative autoradiography (QAR) assay employing the single‐time equation. To overcome two of the shortcomings of this comparison, the present experiments were carried out with a radiotracer virtually identical to Gd‐DTPA, Gd‐[14C]DTPA, and Ki was calculated from both sets of data by the single‐time equation. The protocol included 3 h of middle cerebral artery occlusion and 2.5 h of reperfusion in male Wistar rats (n = 15) preceding the DCE‐MRI Gd‐DTPA and QAR Gd‐[14C]DTPA measurements. In addition to Ki, the tissue‐to‐blood concentration ratios, or volumes of distribution (VR), were calculated. The regions of BBB opening were similar on the MRI maps and autoradiograms. Within them, VR was nearly identical for Gd‐DTPA and Gd‐[14C]DTPA, and Ki was slightly, but not significantly, higher for Gd‐DTPA than for Gd‐[14C]DTPA. The Ki values were well correlated (r = 0.67; p = 0.001). When the arterial concentration–time curve of Gd‐DTPA was adjusted to match that of Gd‐[14C]DTPA, the two sets of Ki values were equal and statistically comparable with those obtained previously by Patlak plots (the preferred, less model‐dependent, approach) of the same data (p = 0.2–0.5). These findings demonstrate that this DCE‐MRI technique accurately measures the Gd‐DTPA concentration in blood and brain, and that Ki estimates based on such data are good quantitative indicators of BBB injury. Copyright © 2010 John Wiley & Sons, Ltd.
Hepatic tumor response evaluation by MRI
Authors: Lee Chang Hee , Braga Larissa , de Campos Rafael O.P. , Semelka Richard C.
Published: December 2010

Noninvasive evaluation of hepatic tumor response is necessary to improve the survival rate and quality of life of cancer patients. Among radiologic imaging modalities, MRI plays a significant role in the management of patients with hepatic tumor and is crucial for diagnosis, treatment planning and assessment of response or recurrence, because of its high contrast resolution, lack of ionizing radiation and the possibility of performing functional imaging sequences. This review provides an overview of the MRI findings after various treatments in patients with primary and secondary focal liver malignancies. The imaging methods described focus on the recent trends of using MRI techniques as biomarkers for disease. We also describe the appearance of successful and incomplete response for the various forms of treatment, including transcatheter arterial chemoembolization, ablative therapy, systemic chemotherapy and radiation therapy. Dynamic contrast‐enhanced MRI is regarded as an established noninvasive method and potential biomarker for tumor detection, as well as for the characterization of the tumor response. Diffusion‐weighted MRI, perfusion‐weighted MRI and MRS are also promising functional biomarkers to help select patients for various therapies and to assess the response to treatments. However, further validation and standardization should be performed before their widespread use as imaging biomarkers. Copyright © 2010 John Wiley & Sons, Ltd.
Increasing accuracy and efficiency in FE computations of the Leray‐Deconvolution model
Authors: Bowers Abigail L. , Rebholz Leo G.
Published: December 2010

This article develops, analyzes, and tests a finite element method for approximating solutions to the Leray‐deconvolution regularization of the Navier‐Stokes equations. The scheme combines three ideas to create an accurate and effective algorithm: the use of an incompressible filter, a linearization that decouples the velocity‐pressure system from the filtering and deconvolution operations, and a stabilization that works well with the linearization. A rigorous and complete numerical analysis of the scheme is given, and numerical experiments are presented that show clear advantages of the scheme. © 2010 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 28: 720–736, 2012
Local government discretion and accountability in Burkina Faso
Authors: Mahieu Sylvie , Yilmaz Serdar
Published: December 2010

Burkina Faso opted for a progressive approach to decentralization reforms, aiming at building local government capacity first before transferring responsibilities. We employ a diagnostic framework to analyze local government discretion and accountability in Burkina Faso. We find that local governments have a very low degree of discretionary power accompanied with weak accountability towards citizens at all levels. In the political and administrative spheres, the center plays a dominant role in local government affairs leaving little space for discretion. In the fiscal sphere, taxing powers are restricted, while transfers are insufficient and unpredictable, making local financial management extremely difficult. Copyright © 2010 John Wiley & Sons, Ltd.
Hyperbranched poly (amine‐ester)‐poly (lactide‐co‐glycolide) copolymer and their nanoparticles as paclitaxel delivery system
Authors: Wu Yan , Wang Tie wei , Li Mingjun , Gao Hongxia
Published: December 2010

A new hyperbranched poly (amine‐ester)‐poly (lactide‐co‐glycolide) copolymer (HPAE‐co‐PLGA) was synthesized by ring‐opening polymerization of D, L‐lactide (DLLA) glycolid and branched poly (amine‐ester) (HPAE‐OHs) with Sn(Oct)2 as catalyst. The chemical structures of copolymers were determined by FT‐IR, 1H‐NMR(13C NMR), TGA and their molecular weights were determined by gel permeation chromatography (GPC). Paclitaxel‐loaded copolymer nanoparticles were prepared by the nanoprecipitation method. Their physicochemical characteristics, e.g. morphology and nanoparticles size distribution were then evaluated by means of fluorescence spectroscopy, environmental scanning electron microscopy (ESEM), and dynamic light scattering (DLS).

Paclitaxel‐loaded nanoparticles assumed a spherical shape and have unimodal size distribution. It was found that the chemical composition of the nanoparticles was a key factor in controlling nanoparticles size, drug‐loading content, and drug release behavior. As the molar ratio of DL‐lactide/glycolide to HPAE increased, the nanoparticles size and drug‐loading content increased, and the drug release rate decreased. The antitumor activity of the paclitaxel‐loaded HPAE‐co‐PLGA nanoparticles against human liver cancer H7402 cells was evaluated by 3‐(4, 5‐dimethylthiazol‐2‐yl)‐2,5‐diphenyl tetrazolium bromide (MTT) method. The paclitaxel‐loaded HPAE‐co‐PLGA nanoparticles showed comparable anticancer efficacy with the free drug. Copyright © 2010 John Wiley & Sons, Ltd.
Incidence and pattern of radiological central nervous system Langerhans cell histiocytosis in children: A population based study
Authors: Laurencikas Evaldas , Gavhed Désirée , Stålemark Helen , Hooft Ingrid van't , Prayer Daniela , Grois Nicole , Henter Jan‐Inge
Published: December 2010

Background

Patients with Langerhans cell histiocytosis (LCH) may develop neurodegeneration and other central nervous system (CNS) dysfunctions revealed by brain magnetic resonance imaging (MRI). We estimated the incidence and pattern of pathological brain MRI findings in a well‐defined, population‐based cohort of children with LCH.

Methods

Among children under 15 years of age diagnosed with LCH in the Stockholm County during 1992–2001, brain MRI was performed at a single center in children with clinical and/or laboratory signs of CNS involvement, including endocrine dysfunction.

Results

Out of the 29 children (16 males, 13 females) diagnosed with LCH, brain MRI was performed based on clinical indications in 16 children (55%) with either abnormal endocrine findings (n = 6), such as diabetes insipidus (n = 5), low IGF‐1 (n = 1), or panhypopituitarism (n = 1), or clinical CNS symptoms (n = 10). CNS MRI abnormalities were demonstrated in eight children (28%), at a median time of 3.5 years after LCH diagnosis (range 1–11.4 years). Altogether 7 of the 29 children (24%) had MRI findings associated with neurodegeneration, corresponding to a minimal incidence of 2.1/106 children per year. Neurodegenerative abnormalities tended to be more frequent in patients with craniofacial involvement (P = 0.12).

Conclusions

The minimal annual incidence rate of neurodegenerative associated radiographic findings in LCH is estimated at 2.1/106 children (24% of all children with LCH). An important question is whether all patients with LCH, or certain forms of LCH, should be recommended for a late follow‐up examination including MRI. In patients with CNS‐LCH, neurological, neuropsychological, neurophysiological, neurochemical and neuroradiological follow‐up assessment is suggested. Pediatr Blood Cancer 2011;56:250–257. © 2010 Wiley‐Liss, Inc.
The differences between retained and promoted children in educational services received
Authors: Peterson Lisa S. , Hughes Jan N.
Published: December 2010

The purpose of this study was to determine whether students retained in first grade, relative to similarly low‐achieving students who were promoted, differed in the number of remedial educational services received by students in the pre‐retention year and in the repeat year. Study participants were 769 relatively low‐achieving first‐grade students, of whom 165 were retained in first grade and 604 were promoted. Controlling for students' conditional probability of being retained, based on propensity scores calculated prior to retention, retained students received the same number of services as did promoted students during the pre‐retention year. The following year, when retained students were in first grade and promoted students were in second grade, retained students received fewer services than promoted students. Furthermore, retained children had a larger decrease in services from Year 1 to Year 2. These data support the notion that grade retention is being used as the primary intervention instead of a component of a more comprehensive remediation plan. © 2010 Wiley Periodicals, Inc.
The impact of teacher credentials on ADHD Stigma Perceptions
Authors: Bell Lindsay , Long Susanne , Garvan Cynthia , Bussing Regina
Published: December 2010

Attention‐Deficit/Hyperactivity Disorder (ADHD) is one of the most frequently diagnosed psychiatric disorders in childhood and adolescence. It is associated with high levels of stigma, which may lead to treatment barriers, self‐fulfilling prophecies, and social rejection. This study established the reliability of the ADHD Stigma Questionnaire (ASQ) when applied to teachers by evaluating its internal consistency and confirmed the previously reported factor structure. In addition, the study examined the extent to which holding a special education certification and having years of teaching experience impact teachers' perceptions of ADHD stigma. Results indicated that teachers holding special education certification endorsed higher ratings, which indicated high stigma perceptions, on the Overall Stigma score, as well as the three subscales, Disclosure Concerns, Negative Self‐Image, and Concern with Public Attitudes; however, years of teaching experience was not related to stigma scores. Implications for teacher training practices are discussed. © 2010 Wiley Periodicals, Inc.
Portfolio Selection Methodology for a Nuclear Project
Authors: Strang Kenneth David
Published: December 2010

It is difficult to evaluate complex, publicly sensitive nuclear project proposals. Scientists, subject matter experts, politicians, and citizens often differ on scope, budget, time, and quality priorities. There are numerous qualitative factors and quantitative variables. Experts could widely disagree on criteria or neglect to discriminate between seemingly identical alternatives. An ineffective portfolio selection method could lead to safety problems, budget overruns, or outright project failures. This case study develops and examines a mixed-method, integrated qualitative and quantitative portfolio selection model, applied to a “tritium extraction facility” project concept.
Merocyanines based on 1,3‐indanedione: electronic structure and solvatochromism
Authors: Kulinich Andrii V. , Derevyanko Nadia A. , Mikitenko Elena K. , Ishchenko Alexander A.
Published: December 2010

A series of merocyanines derived from 1,3‐indanedione and heterocycles of various electron‐donating properties was studied in detail. Their solvatochromic properties were explored in a wide range of solvent polarities to reveal the dependences of their chromacity and electronic structure on the key structural parameters – the properties of a donor heterocycle and the polymethine chain length. Also the dyes were studied by NMR spectroscopy and by quantum chemical calculations, both with the semiempirical AM1 and the non‐empirical density functional theory/B3LYP method. The solvatochromic properties of the explored dyes are rather close to those of merocyanines derived from malononitrile as acceptor group. Appreciable distinctions were observed only in protic ethanol; obviously, they are connected with the formation of solvent–solute H‐bonds in the case of 1,3‐indanedione derivatives. The electron‐acceptor properties of 1,3‐indanedione were found to be somewhat stronger in comparison with those of malononitrile even in aprotic solvents, contrary to the known literature data. Analysis of the merocyanines' molecular orbitals and simulation of their electronic spectra were carried out both in vacuum and in the solvent matrix, and the absorption electronic transitions were analyzed. Static nonlinear optical properties were calculated for both the new merocyanines and the corresponding cationic and anionic cyanine dyes. Copyright © 2010 John Wiley & Sons, Ltd.
Radical anions containing the dioxidated 1,2,5‐thiadiazole heterocycle. Part II
Authors: Mirífico María Virginia , Caram José Alberto , Gennaro Ana María , Cobos Carlos J. , Vasini Enrique Julio
Published: December 2010

Radical anions from several 3,4‐aryl‐disubstituted derivatives of 1,2,5‐thiadiazole 1,1‐dioxide were accumulated through chemical reduction of the substrates in aprotic solvents. The radical anions were characterized by electron spin resonance and cyclic voltammetry. DFT theoretical calculations were also performed for the 3,4‐diphenyl derivative. The course of the reductions was followed using cyclic voltammetry. Uncommon reductants, such as amides, were found to be effective under certain conditions. Copyright © 2010 John Wiley & Sons, Ltd.
Identification of CCR2‐binding features in Cytl1 by a CCL2‐like chemokine model
Authors: Tomczak Aurelie , Pisabarro M. Teresa
Published: December 2010

Chemokines are small secreted proteins that play an important role in immune responses and have also been shown to be involved in cartilage development and contributing to pathogenesis of a variety of diseases. They present a conserved 3D structure, so‐called IL8‐like chemokine fold, which is supported by conserved cysteines forming intra‐molecular disulfide bonds. These cysteine sequence motifs have often been used to find new chemokine family members by sequence‐based database searches. However, it has been shown that different patterns can provide disulfide bonds fitting into an IL8‐like architecture, which has been the key to identify new remote homologues of the IL8‐like chemokine family. We report a structural–functional characterization of cytokine‐like protein 1 (Cytl1) by a combination of different computational structure‐based techniques. Previous studies based on sequence analysis and secondary structure predictions reported that Cytl1 might adopt a 4‐helical cytokine fold. However, our detailed molecular modeling studies and structure‐based functional analysis strongly suggest that Cytl1 is more likely to adopt an IL8‐like chemokine fold, in particular similar to CCL2 (monocyte chemoattractant protein 1, MCP‐1). Moreover, we identify in a CCL2‐like 3D model of Cytl1 the necessary reported features to signal through the chemokine receptor CCR2. Those discovered structural features of Cytl1 as CCL2‐like chemokine, together with the fact that both, CCL2 and Cytl1, are known to be involved in cartilage development and pathogenesis of osteoarthritis and rheumatoid arthritis, make us hypothesize that Cytl1 could be a structurally and functionally related analog of CCL2 signaling through the chemokine receptor CCR2. Proteins 2011. © 2011 Wiley‐Liss, Inc.
Structural plasticity of staphylococcal nuclease probed by perturbation with pressure and pH
Authors: Kitahara Ryo , Hata Kazumi , Maeno Akihiro , Akasaka Kazuyuki , Chimenti Michael S. , Garcia‐Moreno E. Bertrand , Schroer Martin A. , Jeworrek Christoph , Tolan Metin , Winter Roland , Roche Julien , Roumestand Christian , Montet de Guillen Karine , Royer Catherine A.
Published: December 2010

The ionization of internal groups in proteins can trigger conformational change. Despite this being the structural basis of most biological energy transduction, these processes are poorly understood. Small angle X‐ray scattering (SAXS) and nuclear magnetic resonance (NMR) spectroscopy experiments at ambient and high hydrostatic pressure were used to examine how the presence and ionization of Lys‐66, buried in the hydrophobic core of a stabilized variant of staphylococcal nuclease, affect conformation and dynamics. NMR spectroscopy at atmospheric pressure showed previously that the neutral Lys‐66 affects slow conformational fluctuations globally, whereas the effects of the charged form are localized to the region immediately surrounding position 66. Ab initio models from SAXS data suggest that when Lys‐66 is charged the protein expands, which is consistent with results from NMR spectroscopy. The application of moderate pressure (<2 kbar) at pH values where Lys‐66 is normally neutral at ambient pressure left most of the structure unperturbed but produced significant nonlinear changes in chemical shifts in the helix where Lys‐66 is located. Above 2 kbar pressure at these pH values the protein with Lys‐66 unfolded cooperatively adopting a relatively compact, albeit random structure according to Kratky analysis of the SAXS data. In contrast, at low pH and high pressure the unfolded state of the variant with Lys‐66 is more expanded than that of the reference protein. The combined global and local view of the structural reorganization triggered by ionization of the internal Lys‐66 reveals more detectable changes than were previously suggested by NMR spectroscopy at ambient pressure. Proteins 2011. © 2011 Wiley‐Liss, Inc.
Radiolytic degradation mechanism of gallic acid and its end‐products
Authors: Melo R. P. , Leal J. P. , Botelho M. L.
Published: December 2010

Gallic acid is one of the most representative biorecalcitrant phenolic compounds present in cork processing wastewater. In this communication, chemical oxidation of gallic acid was studied by gamma irradiation as an advanced oxidation process. This technology turns out to be an advantageous tool for the degradation of gallic acid. The results obtained by UV‐Vis and electrospray ionization mass spectrometry (ESI‐MS) techniques are in agreement concerning the suitability of this technique to degrade gallic acid. ESI‐MS and ESI‐MS2 monitoring of the non‐irradiated and irradiated gallic acid solutions leads to the identification of the main intermediate products. Based on the overall results obtained a consistent mechanism of radiolytic degradation of gallic acid is proposed. The application of radiation as a tool to increase the biodegradability of wastewaters is an important issue from the perspective of Green Chemistry. Copyright © 2010 John Wiley & Sons, Ltd.
Studies of gas‐phase reactions of cationic iron complexes of 2‐pyrimidinyloxy‐N‐arylbenzylamines by electrospray ionization tandem mass spectrometry
Authors: Xu Chu , Wang Hao‐Yang , Zhu Feng‐Jun , Guo Yin‐Long , Lu Long
Published: December 2010

Electrospray ionization triple quadrupole mass spectrometry (ESI‐TSQ‐MS) and electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI‐FTICR‐MS) were used to investigate the interesting gas‐phase reactions of the cationic iron (Fe) complexes of 2‐pyrimidinyloxy‐N‐arylbenzylamines (1–6), which are generated by ESI when mixing their methanolic solutions. Further studies of these Fe complexes by collision‐induced dissociation (CID) show that Fe(III) complexes undergo an interesting gas‐phase single electron transfer (SET) reaction to give 1•+–6•+,with loss of neutral FeCl2, whereas Fe(II) can catalyze gas‐phase Smiles rearrangement reactions of compounds 1–6. By using different Fe(II)X2 salts (X = Cl or Br) with a set of reactants, the role of the counterion (X−) and the structure effect of the reactants on Fe(II)‐catalyzed gas‐phase Smiles rearrangement reactions are studied. Evidence obtained from by TSQ‐MS and FTICR‐MS experiments, hydrogen/deuterium (H/D) exchange experiments and theoretical computations supported some unique gas‐phase chemistries initiated by introduction of Fe(II) into 1. Importantly, by comparing the distinct gas‐phase reaction results of the cationic Fe(III) complexes with those of Fe(II) complexes, the charge state effects of iron on the gas‐phase chemistries of Fe complexes are revealed. Copyright © 2010 John Wiley & Sons, Ltd.
Mass spectrometric characterization of photooxidative protein modifications in Arabidopsis thaliana thylakoid membranes
Authors: Galetskiy Dmitry , Lohscheider Jens N. , Kononikhin Alexey S. , Popov Igor A. , Nikolaev Eugene N. , Adamska Iwona
Published: December 2010

Oxidative and nitrosative stress leaves footprints in the plant chloroplast in the form of oxidatively modified proteins. Using a mass spectrometric approach, we identified 126 tyrosine and 12 tryptophan nitration sites in 164 nitrated proteolytic peptides, mainly from photosystem I (PSI), photosystem II (PSII), cytochrome b6/f and ATP‐synthase complexes and 140 oxidation products of tyrosine, tryptophan, proline, phenylalanine and histidine residues. While a high number of nitration sites were found in proteins from four photosynthetic complexes indicating that the nitration belongs to one of the prominent posttranslational protein modifications in photosynthetic apparatus, amino acid oxidation products were determined mostly in PSII and to a lower extent in PSI. Exposure of plants to light stress resulted in an increased level of tyrosine and tryptophan nitration and tryptophan oxidation in proteins of PSII reaction center and the oxygen‐evolving complex, as compared to low light conditions. In contrast, the level of nitration and oxidation of these amino acid residues strongly decreased for all light‐harvesting proteins of PSII under the same conditions. Based on these data, we propose that oxidative modifications of proteins by reactive oxygen and nitrogen species might represent an important regulatory mechanism of protein turnover under light stress conditions, especially for PSII and its antenna proteins. Copyright © 2010 John Wiley & Sons, Ltd.
Hydrogen isotope type‐curves of very hot crude oils
Authors: Fekete József , Sajgó Csanád , Demény Attila
Published: December 2010

Several crude oil accumulations in the Pannonian Basin are trapped in uncommonly hot (>170°C) reservoirs. Their maturities range from mature to very mature on the basis of cracking parameters of their biological marker homologous series (ratio of products to reactants). A stable carbon isotopic study of these oils, poor in biological markers commonly used for correlation purposes, did not provide a reliable oil‐to‐oil correlation. As an alternative tool, the hydrogen isotope compositions of oil fractions separated on the basis of different polarities were measured, and hydrogen isotope type‐curves were generated for a set of mature to very mature crude oil samples. This method of presenting hydrogen isotope composition of fractions as type‐curves is novel.

Nineteen samples (17 crude oils from SE‐Hungary, 1 oil condensate and 1 artificial oil) were chosen for the present study. The aim was to examine the applicability of hydrogen isotope type‐curves in oil‐to‐oil correlation and to test the simultaneous application of carbon and hydrogen isotope type‐curves in the field of petroleum geochemistry. We have shown that, although the conventionally used co‐variation plots proved to be inadequate for the correlation of these hot and mature oils, the simultaneous use of carbon and the newly introduced hydrogen isotope type‐curves allows us to group and distinguish oils of different origins. Copyright © 2010 John Wiley & Sons, Ltd.
Out of Sight, Out of Mind. Reporting of Three Indices in the UK National Press Between 1990 and 2009
Authors: Morse Stephen
Published: December 2010

This paper explores the reporting of three indices – the Corruption Perception Index (CPI), Human Development Index (HDI) and Ecological Footprint (EF) – in the national press of the UK between January 1990 and December 2009. The indices were compared over both time (year and month of article publication) and space (across the component countries of the UK and the Republic of Ireland, ROI). Results suggest that there are significant differences in reporting of the three indices. The EF appeared more frequently and was employed more often in articles than the CPI and HDI, perhaps reflecting a greater flexibility of the EF in terms of methodology and its association with consumption at all social scales, including the individual. The HDI was used by journalists more often as an ‘ornament’ to provide factual support to discussion of development, aid, conflict etc. Copyright © 2010 John Wiley & Sons, Ltd and ERP Environment.
Sensor network security for pervasive e‐health
Authors: Garcia‐Morchon Oscar , Falck Thomas , Wehrle Klaus
Published: December 2010

Ubiquitous 24/7 health monitoring systems based on wireless medical sensors are going to play a key role for pervasive e‐health applications. These systems allow care givers to early detect and act on signs of patients' clinical deterioration improving quality of care in a reliable unobtrusive and cost effective way. Ensuring the privacy and security of the exchanged information is challenging in pervasive e‐health environments due to the resource constraints of tiny wireless medical sensors and operational requirements such as user mobility, strict latency needs, or the multitude of parties involved in the system. This paper describes a comprehensive and practical security framework for these pervasive health monitoring systems. We distinguish three layers addressing the specific security needs at the patient area network, medical sensor network, and back‐end levels. Thereby our architecture accommodates the healthcare institution‐centric approach predominant today while making provisions for the more patient‐centric vision of pervasive e‐health environments. The tailored security mechanisms for each individual layer as well as their interworking are presented and evaluated in detail. The analysis shows that our proposed security framework allows the deployment of wireless medical sensor networks in a very efficient way. Copyright © 2010 John Wiley & Sons, Ltd.
A VoIP system for mobility voice security support using the VPN
Authors: Kim Seok‐hun , Kim Soo‐Kyun , Park Jong Hyuk
Published: December 2010

Voice over internet protocol (VoIP) provided voice service using Internet. It receives footlights when it escapes an initial curiosity. Interest to VoIP increased, because it can transfer existing phone service and deliver voice data through Internet technology. Communication service providers introduce Next Generation Network and Broadband convergence Network with VoIP as an added service to the consumer. In addition, session initiation protocol (SIP) service can be applied even outside the Internet phone service. However, it is needed to ensure secrecy of VoIP call in a special situation. It is relatively difficult to eavesdrop in the commonly used Public Switched Telephone Network (PSTN) as it is connected with 1:1 circuit. In this paper, we propose a new model of Internet telephone for eavesdrop prevention enabling VoIP (using SIP protocol) to use the virtual private network (VPN) protocol and establish the probability of practical use comparing it with Internet telephone. Copyright © 2010 John Wiley & Sons, Ltd.
An efficient approach of secure group association management in densely deployed heterogeneous distributed sensor network
Authors: Pathan Al‐Sakib Khan , Monowar Muhammad Mostafa , Jiang Jinfang , Shu Lei , Han Guangjie
Published: December 2010

A heterogeneous distributed sensor network (HDSN) is a type of distributed sensor network where sensors with different deployment groups and different functional types participate at the same time. In other words, the sensors are divided into different deployment groups according to different types of data transmissions, but they cooperate with each other within and out of their respective groups. However, in traditional heterogeneous sensor networks, the classification is based on transmission range, energy level, computation ability, and sensing range. Taking this model into account, we propose a secure group association authentication mechanism using one‐way accumulator which ensures that: before collaborating for a particular task, any pair of nodes in the same deployment group can verify the legitimacy of group association of each other. Secure addition and deletion of sensors are also supported in this approach. In addition, a policy‐based sensor addition procedure is also suggested. For secure handling of disconnected nodes of a group, we use an efficient pairwise key derivation scheme to resist any adversary's attempt. Along with proposing our mechanism, we also discuss the characteristics of HDSN, its scopes, applicability, future, and challenges. The efficiency of our security management approach is also demonstrated with performance evaluation and analysis. Copyright © 2010 John Wiley & Sons, Ltd.
Generating certification authority authenticated public keys inad hocnetworks
Authors: Kounga G. , Mitchell C. J. , Walter T.
Published: December 2010

In anad hocnetwork, nodes may face the need to generate new public keys. To be verifiably authentic, these newly generated public keys need to be certified. However, because of the absence of a permanent communication infrastructure, a certification authority (CA) that can issue certificates may not always be reachable. The downside is that secure communication channels cannot be established. Previously proposed solutions do not guarantee that identities contained in certificates are valid or, when they do, they rely on neighbors to validate user‐key bindings. However, there is no guarantee that nodes that are known in advance will always be present in the network. Therefore, neighbors are not always able to verify a node's identity before certificate issuance. In this paper we define a scheme that permits nodes to generate, on‐demand, and independently of any third entity, public keys that can be authenticated with the aid of a unique certificate, issued by a CA at initialization. This certificate binds a valid identity to a hash code. We then extend this scheme to a solution permitting certificates to be generated, on‐demand, and independently of any third entity, that can be authenticated with a unique signature generated by a CA. Finally we solve the problem of updated revocation information. Copyright © 2010 John Wiley & Sons, Ltd.
TEM and HRTEM Evidence for the Role of Ligands in the Formation of Shape‐Controlled Platinum Nanoparticles
Authors: Axet M. Rosa , Philippot Karine , Chaudret Bruno , Cabié Martiane , Giorgio Suzanne , Henry Claude R.
Published: December 2010

The morphology of platinum nanoparticles synthesized using an organometallic approach from PtMe2(C8H12) is influenced by the nature of the ligands used as stabilizing agents. The use of long alkyl chain amines leads to the formation of multipodal nanoparticles that transform into compact nano‐objects, adopting cubic, truncated cubic, or cuboctahedral shapes. In contrast, the use of diamine ligands allows the growth of compact (111) arrowlike faces, forming polycrystalline nanoparticles of an overall desert‐rose aspect. Different reaction parameters are studied ([ligand]/[metal] ratio, temperature, solvent identity) in order to optimize the various shapes.