bluuebunny/crossref_metadata_2025 huggingface dataset:
Water‐silver nanofluid application in a TPCT under an external magnetic field
Authors: Salehi H. , Zeinali Heris S. , Noie S.H.
Published: May 2012

The efficiency of a two‐phase closed thermosyphon (TPCT) with a nanofluid as the working fluid under the effects of a magnetic field is investigated experimentally. In this study the silver/water nanofluid with different concentrations (20 ppm–80 ppm) was tested. Also a magnetic field with various strengths (0.12, 0.35, and 1.2 T) was exerted on the TPCT by a permanent magnet. It was seen that the TPCT heat transfer performance and the thermophysical properties of the base fluid are affected considerably by the nanoparticle addition and magnetic field. According to the experimental results the thermal efficiency of the thermosyphon increased significantly with the nanoparticle concentration increasing as well as the magnetic field strength. The TPCT showed better performance for the highest value of concentration (80 ppm) and magnetic field (1.2 T). Moreover, the experimental results present that the thermal efficiency in the presence of a magnetic field is somewhat increased. © 2012 Wiley Periodicals, Inc. Heat Trans Asian Res; Published online in Wiley Online Library (wileyonlinelibrary.com/journal/htj). DOI 10.1002/htj.21006
Adrenodoxin—A versatile ferredoxin
Authors: Ewen Kerstin Maria , Ringle Michael , Bernhardt Rita
Published: May 2012

Mammalian adrenodoxin (Adx) has been known for many years as an essential electron mediator in mitochondrial cytochrome P450 systems. Because of its ability to support several cytochrome P450 enzymes, it is involved not only in adrenal steroid hormone biosynthesis but also in vitamin D and bile acid metabolism. Recently, Adx is increasingly gaining attention because of its potential for pharmaceutical industry and biotechnology. With human cytochromes P450 becoming important drug targets, suitable Adx‐based screening systems have to be developed to test putative new drugs. Moreover, in artificial systems, Adx has been shown to functionally interact with diverse bacterial cytochromes P450 catalyzing a variety of chemically interesting reactions. Putative biotechnological applications of such Adx‐containing reconstituted systems are discussed. © 2012 IUBMB IUBMB Life, 2012
Recent progress in NMR spectroscopy: Toward the study of intrinsically disordered proteins of increasing size and complexity
Authors: Felli Isabella C. , Pierattelli Roberta
Published: May 2012

Thanks to recent fast progress, NMR is now in a strategic position to provide unique atomic resolution information on a variety of different biological macromolecules in different conditions (solution, solid state, in‐cell). We would like here to present recent developments that enable to focus on intrinsically disordered proteins (IDPs) or intrinsically disordered regions (IDRs) of proteins of increasing size and complexity. They have attracted the attention of the scientific community challenging well accepted ideas and concepts and demanding an expansion of the structure function paradigm. © 2012 IUBMB IUBMB Life, 2012.
Cysteine‐rich protein 61 (CCN1) mediates replicative senescence‐associated aberrant collagen homeostasis in human skin fibroblasts
Authors: Quan Taihao , Qin Zhaoping , Voorhees John J. , Fisher Gary J.
Published: May 2012

Dermal fibroblasts produce a collagen‐rich extracellular matrix, which confers mechanical strength and resiliency to human skin. During aging, collagen production is reduced and collagen fragmentation is increased, which is initiated by matrix metalloproteinase‐1 (MMP‐1). This aberrant collagen homeostasis results in net collagen deficiency, which impairs the structural integrity and function of skin. Cysteine‐rich protein 61 (CCN1), a member of the CCN family, negatively regulates collagen homeostasis, in primary human skin dermal fibroblasts. As replicative senescence is a form of cellular aging, we have utilized replicative senescent dermal fibroblasts to further investigate the connection between elevated CCN1 and aberrant collagen homeostasis. CCN1 mRNA and protein levels were significantly elevated in replicative senescent dermal fibroblasts. Replicative senescent dermal fibroblasts also expressed significantly reduced levels of type I procollagen and increased levels of MMP‐1. Knockdown of elevated CCN1 in senescent dermal fibroblasts partially normalized both type I procollagen and MMP‐1 expression. These data further support a key role of CCN1 in regulation of collagen homeostasis. Elevated expression of CCN1 substantially increased collagen lattice contraction and fragmentation caused by replicative senescent dermal fibroblasts. Atomic force microscopy (AFM) further revealed collagen fibril fragmentation and disorganization were largely prevented by knockdown of CCN1 in replicative senescent dermal fibroblasts, suggesting CCN1 mediates MMP‐1‐induced alterations of collagen fibrils by replicative senescent dermal fibroblasts. Given the ability of CCN1 to regulate both production and degradation of type I collagen, it is likely that elevated‐CCN1 functions as an important mediator of collagen loss, which is observed in aged human skin. J. Cell. Biochem. 113: 3011–3018, 2012. © 2012 Wiley Periodicals, Inc.
Mps one binder 2 gene upregulation in the stellation of astrocytes induced by cAMP‐dependent pathway
Authors: Fang Kuan‐Min , Liu Yi‐Ying , Lin Cheng‐Han , Fan Seng‐Sheen , Tsai Chung‐Hua , Tzeng Shun‐Fen
Published: May 2012

Astrocytes, the major glial population in the central nervous system (CNS), play an important role in neuronal homeostasis, neurogenesis, and synaptogenesis. The cells have a stellate shape with elaborated processes in the developing CNS. Cultured astrocytes become stellate when the cells undergo differentiation in response to stimuli. Nevertheless, the molecular mechanism for astrocytic stellation is poorly understood. Here, we showed that the addition of serum induced a flat polygonal shape in cultured astrocytes with a reduced level of Mps one binder 2 (Mob2) that is involved in neurite growth by forming stable complex with a nuclear Ser/Thr kinase Dbf2‐related protein kinase 1 (NDR1). Furthermore, exposure to a membrane permeable cAMP analogue, dbcAMP, not only induced astrocytic stellation, but also caused an increase in Mob2 expression. Similarly, the upregulation of Mob2 mRNA expression was induced by exposure of astrocytes to pituitary adenylyl cyclase‐activating polypeptide (PACAP). Pretreatment with a cAMP/protein kinase A (PKA) inhibitor, KT‐5720, significantly blocked the effect of dbcAMP and PACAP on induced upregulation of Mob2 mRNA expression in astrocytes. In addition, the process withdrawal of dbcAMP‐treated astrocytes was caused by the inhibition of Mob2 expression using lentivirus‐mediated Mob2 shRNA delivery system. Based on our findings, we suggest that Mob2 is involved in PKA signaling‐mediated astrocytic stellation. J. Cell. Biochem. 113: 3019–3028, 2012. © 2012 Wiley Periodicals, Inc.
Peptide‐based activation of alpha5 integrin for promoting osteogenesis
Authors: Fromigué Olivia , Brun Julia , Marty Caroline , Da Nascimento Sophie , Sonnet Pascal , Marie Pierre J.
Published: May 2012

Promoting osteoblastogenesis remains a major challenge in disorders characterized by defective bone formation. We recently showed that the alpha 5 integrin subunit (ITGA5) is critically involved in human mesenchymal cell osteoblast differentiation. In this study, we determined the potential of pharmacological ITGA5 activation by a synthetic cyclic peptide (GA‐CRRETAWAC‐GA) on murine osteoblast differentiation and function in vitro and bone formation in vivo. Peptide‐mediated activation of ITGA5 in murine C3H10T1/2 mesenchymal cells resulted in the generation of the integrin‐mediated cell signals FAK and ERK1/2‐MAPKs. In vitro, peptide‐based activation of ITGA5 protected from cell apoptosis but did not affect cell adhesion or replication, while it enhanced the expression of the osteoblast marker genes Runx2 and type I collagen and increased extracellular matrix (ECM) mineralization as also found with bone morphogenetic protein‐2 (BMP2), a standard bone anabolic factor. When injected on adult mouse cranial bone for 3 weeks, the peptide‐mediated activation of ITGA5 increased bone thickness by twofold, an effect also induced by BMP2. Histomorphometric analysis showed that this anabolic effect resulted from decreased cell apoptosis and increased bone forming surfaces and bone formation rate (BFR). We conclude that pharmacological activation of ITGA5 in mesenchymal cells is effective in promoting de novo bone formation as a result of increased osteoprogenitor cell differentiation into osteoblasts and increased cell protection from apoptosis. This peptide‐based approach could be used therapeutically to promote the osteogenic capacity of osteoblast progenitor cells and to induce de novo bone formation in conditions where osteoblastogenesis is compromised. J. Cell. Biochem. 113: 3029–3038, 2012. © 2012 Wiley Periodicals, Inc.
The Effectiveness of an ACT Informed Intervention for Managing Stress and Improving Therapist Qualities in Clinical Psychology Trainees
Authors: Stafford‐Brown Johanna , Pakenham Kenneth I.
Published: May 2012

Objectives

Clinical psychology trainees (CPTs) are vulnerable to high stress, which can adversely affect their personal and professional functioning. This study evaluated the effectiveness of a group acceptance and commitment therapy (ACT) informed stress management intervention for CPTs.

Design

Outcome measures were work‐related stress, distress, life satisfaction, counseling self‐efficacy, self‐compassion, and therapeutic alliance. A cohort‐controlled design, where an experimental group (n = 28) was compared with a waitlist control group (n = 28), was utilized, with a 10‐week follow‐up.

Results

Group comparisons showed statistically significant intervention effects for the main outcome measures, which were maintained at follow‐up. Mediational analyses showed that changes on most outcomes were mediated by ACT mindfulness and acceptance processes.

Conclusions

Findings support the effectiveness of a group ACT program for CPTs regarding stress reduction and improving therapist qualities.
A brief history of the terms climate and climatology
Authors: Barry Roger G.
Published: May 2012

The paper traces the origins of the terms climate and climatology in the English language. The term climate has a 600‐year history, but only came into widespread scientific use about 150 years ago. Climatology began to find wide usage in the mid‐late 19th century. Copyright © 2012 Royal Meteorological Society
Simulation of the Indian summer monsoon regional climate using advanced research WRF model
Authors: Srinivas C. V. , Hariprasad D. , Bhaskar Rao D. V. , Anjaneyulu Y. , Baskaran R. , Venkatraman B.
Published: May 2012

In this study, the performance of the weather research and forecasting (WRF) ARW regional model was evaluated for simulating the regional scale precipitation during Indian summer monsoon (ISM) at 30 km resolution over seven different homogeneous rainfall zones falling under different climatic (perhumid, humid, dry/moist subhumid, dry/moist semiarid, arid) regions of India. Seasonal scale simulations were made for ten summers (JJAS months) over 2000‐2009 using the boundary conditions derived from the National Centers for Environmental Prediction (NCEP) reanalysis data. Sensitivity experiments were conducted with three convection schemes (Kain‐Fritsch, KF; Betts‐Millor‐Janjic, BMJ; Grell‐Devenyi, GD). Simulated regional climate was evaluated by comparison of precipitation with 0.5° India Meteorological Department (IMD) gridded rainfall data over land, Tropical Rainfall Measuring Mission (TRMM) rainfall data over the ocean and atmospheric circulation fields with 1° NCEP global final analysis (FNL). Although all the simulations showed spatio‐temporal rainfall patterns, BMJ had least bias towards dryness whereas KF had moist bias and GD had higher dry bias. BMJ could simulate low, moderate and high rainfall reasonably well with relatively higher correlations and threat scores, lower bias and mean absolute errors in most zones as compared to better simulation of heavy precipitation events with KF and low rainfall days alone with GD scheme. The better performance of BMJ scheme is evident owing to better simulation of surface pressure, temperature, and geopotential, lower and upper atmospheric flow fields. Simulations revealed a relatively less intensive heat, weaker low‐level westerly winds, weaker north‐south geopotential gradients, weaker subtropical easterlies in the El Niño years than in the La Niña years, which indicate the model is able to simulate the interannual variations in monsoon characteristics. Copyright © 2012 Royal Meteorological Society
Infinitely many positive solutions for a differential inclusion problem involving the p(x)‐Laplacian
Authors: Bin Ge , QingMei Zhou
Published: May 2012

In this paper, we study a differential inclusion problem involving p(x)‐Laplacian. By nonsmooth variational methods and the theory of the variable exponent Sobolev spaces, we establish the existence of infinitely many positive solutions of the problem under suitable oscillatory assumptions on the potential j at zero or at infinity.
Function spaces on singular manifolds
Authors: Amann H.
Published: May 2012

It is shown that most of the well‐known basic results for Sobolev‐Slobodeckii and Bessel potential spaces, known to hold on bounded smooth domains in \documentclass{article}\usepackage{amssymb}\begin{document}\pagestyle{empty}${\mathbb R}^n$\end{document}, continue to be valid on a wide class of Riemannian manifolds with singularities and boundary, provided suitable weights, which reflect the nature of the singularities, are introduced. These results are of importance for the study of partial differential equations on piece‐wise smooth domains.
Does Friendship Help in Personal Selling? The Contingent Effect of Outcome Favorability
Authors: Ho Hillbun (Dixon)
Published: May 2012

Although widespread belief holds that salespeople can leverage their personal relationships with prospective customers to gain business, previous research has not investigated the implications of friendships between salespeople and customers for customers’ postpurchase satisfaction and fairness judgment. Findings from two experiments show that friendships benefit salespeople only when the outcome of the transaction is unfavorable. Specifically, when salespeople and customers are close friends rather than acquaintances, the customers perceive an unfavorable outcome as relatively more fair and satisfactory, but such an effect does not occur when the outcome of the transaction is favorable. This paper also shows that customers’ perceived fairness mediates the interaction effect between friendship and the favorability of transaction outcome on customer satisfaction. In summary, this paper advances the understanding of the implications of salesperson–customer friendships for customers’ postpurchase evaluations.
To Be or Not to Be Price Conscious—a Segment‐Based Analysis of Compromise Effects in Market‐Like Framings
Authors: Müller Holger , Vogt Bodo , Kroll Eike B.
Published: May 2012

Numerous researchers have investigated the compromise effect, according to which a middle option of a consideration set is assumed to be perceived more attractive by consumers, thus becoming more likely to be chosen than the extreme options. However, a closer examination of the experimental designs that were used in previous studies on compromise effects clearly reveals a lack of realism in terms of forced choices between fictitious options in hypothetical choice settings of student samples. This article reports two consecutively implemented studies demonstrating that the compromise effect is robust even in an enhanced design that incorporates basic conditions of real purchase decisions in laboratory‐based experiments. Specifically, the relative share of the middle option increases significantly in an overall analysis when experienced consumers make unforced decisions between real brands in a binding choice context. However, segmented analysis indicates substantial differences, meaning that (1) the compromise effect is strong and significant among quality‐seeking consumers, whereas (2) the compromise effect is weak and insignificant among price‐conscious subjects.
Adaptive wavelet frame domain decomposition methods for nonlinear elliptic equations
Authors: Lellek Dominik
Published: May 2012

In this article, we are concerned with the numerical treatment of nonlinear elliptic boundary value problems. Our method of choice is a domain decomposition strategy. Partially following the lines from (Cohen, Dahmen and deVore, SIAM J Numer Anal 41 (2003), 1785–1823; Kappei, Appl Anal J Sci 90 (2011), 1323–1353; Lui, SIAM J Sci Comput 21 (2000), 1506–1523; Stevenson and Werner, Math Comp 78 (2009), 619–644), we develop an adaptive additive Schwarz method using wavelet frames. We show that the method converges with an asymptotically optimal rate and support our theoretical results with numerical tests in one and two space dimensions. © 2012 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 2013
Validity Testing of the Quality of Life Scale, Swedish Version: Focus Group Interviews of Women with Fibromyalgia
Authors: Liedberg Gunilla M. , Eddy Linda L. , Burckhardt Carol S.
Published: May 2012

Focus group interviews were used to examine validity of the Quality of Life Scale, Swedish version (QOLS‐S) for use with women with fibromyalgia. Five interviews with 18 women with fibromyalgia were completed. The opening question was “What does quality of life mean to you?” Later, participants were asked to respond to questions about the specific domains and items in the QOLS‐S. The transcribed interviews were analysed, and categories were identified. Opinions concerning domains and items in the QOLS‐S were linked to domains of the QOLS‐S. Four categories emerged from the opening question: finances, to be an active person and participate in society, relations with others, and health. Overall, the women's perceptions of quality of life were congruent with the domains of QOLS‐S. However, further attention should be given to the translation of certain items and apparent overlaps in some items indicate that they can be combined. Also, the instrument needs to be scrutinized from a cultural perspective because some items in the “social, community and civic activities” domain were not endorsed by the participants. Copyright © 2012 John Wiley & Sons, Ltd.
Synthesis and characterization of new biodegradable comb‐dendritic triblock copolymers
Authors: Ju Mingjie , Shen Li , Gong Feirong , Gao Yun , Zhang Weian
Published: May 2012

A series of well‐defined dumbbell‐shaped triblock copolymers consisting of linear poly(ethylene glycol) (PEG) and comb‐like poly(ε‐caprolactone) (PCL) with varied PCL arm lengths have been synthesized via the sequential preparation of different generation terminal dendronized PEG and ring‐opening polymerization of ε‐caprolactone. The copolymers were characterized using Fourier transform infrared, 1H NMR and 13C NMR spectroscopy and gel permeation chromatography. Differential scanning calorimetry was performed to measure the glass transition temperature, melting point and degree of crystallinity and the PEG segment and PCL segment crystallization temperatures. The crystallization of the copolymers was also studied using X‐ray diffraction. The dumbbell‐shaped copolymers were further used to construct microspheres using a double emulsion method. Scanning electron microscopy and dynamic light scattering results showed the size of the microspheres was about 2 to 4 µm and the size distribution was quite narrow. Copyright © 2012 Society of Chemical Industry
Synthesis and characterization of new derivatives of azulene, including experimental and theoretical studies of electronic and spectroscopic behavior
Authors: Förster Sebastian , Hahn Torsten , Loose Claudia , Röder Christian , Liebing Simon , Seichter Wilhelm , Eißmann Frank , Kortus Jens , Weber Edwin
Published: May 2012

Four new azulene derivatives featuring two π‐conjugated and sulfur terminated rigid side arms in the 1,3‐positions of the azulene core were designed, synthesized, and characterized. The syntheses were carried out on the basis of a palladium cross‐coupling procedure in the key reaction step. The crystal structures of the target compound 3 and of the intermediate compounds 7 and 9 have been studied. Supporting density functional theory calculations reveal insights into the electronic properties of the particular azulenes. The comparison of measured UV–Vis, infrared, and Raman data to calculated values allowed assignment of major spectral features to the particular structural differences of the new compounds and comparison to plain azulene. Cyclic voltammetry measurements were performed showing the redox characteristics of the new azulene derivatives. Copyright © 2012 John Wiley & Sons, Ltd.
Development of an EORTC quality of life phase III module measuring cancer‐related fatigue (EORTC QLQ‐FA13)
Authors: Weis Joachim , Arraras Juan Ignacio , Conroy Thierry , Efficace Fabio , Fleissner Claudia , Görög Attila , Hammerlid Eva , Holzner Bernhard , Jones Louise , Lanceley Anne , Singer Susanne , Wirtz Markus , Flechtner Henning , Bottomley Andrew
Published: May 2012

Background

European Organisation for Research and Treatment of Cancer (EORTC) has developed a new multidimensional instrument measuring cancer‐related fatigue that can be used in conjunction with the quality of life core questionnaire, EORTC QLQ‐C30. The paper focuses on the development of the phase III module, collaborating with seven European countries, including a patient sample of 318 patients.

Methods

The methodology followed the EORTC guidelines for developing phase III modules. Patients were assessed by questionnaires (EORTC QLQ‐C30 with the EORTC Fatigue Module FA15) followed by an interview, asking for their opinions on the difficulty in understanding, on annoyance and on intrusiveness

Results

The phase II FA15 was revised on the basis of qualitative analyses (comments of the patients), quantitative results (descriptive statistics) as well as the multi‐item response theory analyses. The three dimensions (physical, emotional and cognitive) of the scale could be confirmed

Conclusions

As a result, EORTC QLQ‐FA13 is now available as a valid phase III module measuring cancer‐related fatigue in clinical trials and will be psychometrically improved in the upcoming phase IV. Copyright © 2012 John Wiley & Sons, Ltd.
Psychosocial needs of cancer patients and related factors: a multi‐center, cross‐sectional study in Korea
Authors: Choi Kyung‐Hyun , Park Jae‐Hyun , Park Jong‐Hyock , Park Joo‐Sung
Published: May 2012

Background

Identifying psychosocial needs and satisfying them are important issues to many cancer patients. The aim of this study was to investigate the psychosocial needs of cancer patients and its related factors, based on a nationwide sample of cancer patients in Korea.

Methods

A multi‐center survey was administered to 2661 cancer patients from 10 cancer centers in Korea. The survey measured the needs for psychosocial support, using the Comprehensive Needs Assessment Tool in Cancer, and potential correlates, such as socio‐demographic and clinical factors. Multivariate ordinal regression and binary logistic regression were conducted to identify factors that may predict psychosocial needs.

Results

On the measure for psychosocial needs, the median score of psychological problems was 2.73 points and that of social support was 1.92 points, as the standardized score on a scale of 10 points. Needs for psychological problems were positively correlated with intensive treatment, degree of stress, problems with EQ5‐D, needs for information and education, needs for hospital facilities/services and needs for physical symptoms. The need for social support was positively correlated with problems with EQ5‐D and other unmet needs of cancer patients. Income levels and the number of years since diagnosis were negatively correlated with the need for social support.

Conclusion

Unmet psychosocial needs were common in cancer patients and have varied according to patients' socio‐demographic and clinical factors. These results suggest that a psychosocial approach to treatment should be applied comprehensively and that such an approach should be matched to patients' socio‐demographic and clinical circumstances. Copyright © 2012 John Wiley & Sons, Ltd.
3D hopping conduction in SnO2nanobelts
Authors: Viana E. R. , González J. C. , Ribeiro G. M. , Oliveira A. G. de
Published: May 2012

The temperature dependence of the electrical transport of an individual tin oxide nanobelt was measured in darkness from 400 to 5 K. We found four intrinsic electrical transport mechanisms through the nanobelt. It starts with thermally activated conduction between 400 K and 314 K, followed by nearest‐neighbor hopping conduction between 268 K and 115 K and variable range hopping conduction below 58 K, with a crossover from the 3D Mott to the 3D Efros–Shklovskii regime at 16 K. We claim that this sequence reveals the three‐dimensional nature of the electrical transport in the SnO2nanobelts, even though they are expected to behave as one‐dimensional systems. (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
On the relative benefits of a multi‐centre grand ensemble for tropical cyclone track prediction in the western North Pacific
Authors: Yamaguchi Munehiko , Nakazawa Tetsuo , Hoshino Shunsuke
Published: May 2012

In this study, ensemble tropical cyclone (TC) track predictions were examined using the THORPEX Interactive Grand Global Ensemble (TIGGE) dataset. The main goal was to investigate the relative benefits of a multi‐centre grand ensemble (MCGE) over a single‐model ensemble (SME) from both deterministic and probabilistic perspectives. Here, the SME was composed of all ensemble members of the ensemble prediction system (EPS) at a certain numerical weather prediction (NWP) centre, while the MCGE was composed of all ensemble members of all or selected SMEs. Nine NWP centres participating in the TIGGE project were considered, and 58 TCs in the western North Pacific from 2008 to 2010 were verified.

In the verification of TC strike probability, the Brier skill score of the MCGE was larger than that of the best SME, which was the ECMWF EPS, on a medium‐range time‐scale, although this was not true on a short‐ to medium‐range scale. In addition, the reliability was improved by the MCGE, especially in the high‐probability range. Moreover, the MCGE reduced the number of missed events by about one tenth compared with the best SME. In the verification of confidence information, the MCGE was successful in extracting confidence information across all prediction times from 1 to 5 days. The relative benefits of the MCGE over the SME were seen in cases where the ensemble spread was extremely small. In such cases, the position errors of the MCGE were generally smaller than those of the best SME, indicating that, when multiple SMEs simultaneously predict a low uncertainty, the confidence level increases and the probability of a large position error decreases. In the verification of deterministic track predictions, the ensemble mean TC track predictions by the combination of the ECMWF, JMA, and UKMO EPSs were found on average to be slightly more accurate for 5‐day predictions than those of the best SME, although the differences in the errors were not statistically significant. Copyright © 2012 Royal Meteorological Society
A hybrid nudging‐ensemble Kalman filter approach to data assimilation in WRF/DART
Authors: Lei Lili , Stauffer David R. , Deng Aijun
Published: May 2012

A hybrid nudging‐ensemble Kalman filter (HNEnKF), previously tested in the Lorenz three‐variable model and a two‐dimensional shallow‐water model, is now explored in WRF/DART with real observations using a Cross Appalachian Tracer Experiment case from September 1983 (CAPTEX‐83). The HNEnKF, effectively combining observation nudging and the ensemble Kalman filter (EnKF), achieves a more gradual data assimilation and greatly reduces the insertion noise compared to the EnKF.

Three‐hourly surface observations and 12‐hourly rawinsonde observations from the World Meteorological Organization (WMO) are assimilated. These assimilated meteorological observations are used to verify the priors of the experiments. It is found that the HNEnKF generally obtains better priors than the EnKF. To independently verify the HNEnKF approach, the hourly WRF experiment results are also used to drive the Second‐Order Closure Integrated Puff (SCIPUFF) model to predict surface tracer concentrations that are verified against the observed surface concentration data. The HNEnKF analyses driving SCIPUFF produce better statistics of the independent tracer data than the EnKF. Thus there appear to be some advantages in the hourly dynamic analyses produced by the continuous HNEnKF compared to the intermittent EnKF. The analyses of surface pressure tendency demonstrate that the HNEnKF is able to provide better temporal smoothness and dynamic consistency in the hourly analyses than the EnKF. Copyright © 2012 Royal Meteorological Society
Identification of metabolites in Withania sominfera fruits by liquid chromatography and high‐resolution mass spectrometry
Authors: Bolleddula Jayaprakasam , Fitch William , Vareed Shaiju K. , Nair Muraleedharan G.
Published: May 2012

RATIONALE

Withania somnifera is a rich source of biologically active secondary metabolites. Our earlier investigations on the fruits of this plant have yielded novel compounds, withanamides, with potent antioxidant activity and protective effect on β‐amyloid‐induced cytotoxicity in vitro. However, several minor compounds present in the fruits have not been characterized previously which may contribute to the observed biological activities.

METHODS

Liquid chromatography (LC) coupled with high‐resolution mass spectrometry (HRMS) with data‐dependent and targeted MS/MS experiments were conducted to elucidate the structure of observed metabolites.

RESULTS

A total of 62 metabolites identified included 32 withanamides, 22 withanolides, 3 steroidal saponins, 2 lignanamides, feruloyl tyramine, methoxy feruloyl tyramine and a diglucoside of hydroxyl palmitic acid. The structures of these compounds were proposed based on accurate masses of the molecular and fragment ions. Several of these new compounds identified from the profile were derived from withanamides with variations in aliphatic and/or glycosyl moieties. In addition, six new withanolides, a new hydroxy fatty acid diglucoside and several known compounds in the extract were identified.

CONCLUSIONS

The current study revealed the presence of several new and known compounds in Withania somnifera fruits. High‐resolution MS and MS/MS experiments provide an extremely effective approach to derive the structures of plant secondary metabolites including isomeric compounds. Copyright © 2012 John Wiley & Sons, Ltd.
Mechanistic study of maleic anhydride grafting onto fatty double bonds using mass spectrometry
Authors: Loutelier‐Bourhis Corinne , Zovi Ornella , Lecamp Laurence , Bunel Claude , Hubert‐Roux Marie , Lange Catherine M.
Published: May 2012

RATIONALE

The grafting of maleic anhydride onto fatty C=C double bonds is a well‐known and used method to functionalize triglyceride molecules. Nevertheless, grafted products are not actually structurally well defined. In this work, the thermal grafting of maleic anhydride onto (un)saturated fatty acid esters without the use of an initiator was characterized in order to determine the nature of the products formed during this reaction.

METHODS

Complementary spectrometric techniques, ESI‐MSn (ion‐trap mass spectrometer), IMS‐MSn (Q‐IMS‐TOFMS) and GC/MS, were used to identify the grafted products which were prepared using either ethyl oleate (EtO) or methyl linoleate (MeL) as model molecules and maleic anhydride (MA). Lithiated adducts were investigated since they yield useful structural information when subjected to collision‐induced dissociation (CID) in tandem mass spectrometry.

RESULTS

A high number of products are formed during MA grafting and various reaction types could occur. Radical addition of maleic anhydride followed by combination or elimination reactions led to succinic and maleic anhydride grafting, respectively. The addition occurred with or without double‐bond shift; the resulting derivatives showed succinic and maleic anhydride branching in the α‐position relative to the double bond or onto the carbon atom of the initial double bond. Some structures obtained by radical addition and combination were also consistent with the Alder ene functionalization reaction. The Diels‐Alder addition between di‐unsaturated fatty acid chains and maleic anhydride could yield cyclic forms of MA‐grafted derivatives.

CONCLUSIONS

We have shown that ESI‐MSn and IMS‐MSn allow the identification of grafted products providing relevant structural information concerning isomers. These methods permit the rapid and direct analyses of 'crude reaction mixtures'. Copyright © 2012 John Wiley & Sons, Ltd.
Esterase inhibitors as ester‐containing drug stabilizers and their hydrolytic products: potential contributors to the matrix effects on bioanalysis by liquid chromatography/tandem mass spectrometry
Authors: Zheng Naiyu , Fung Eliza N. , Buzescu Adela , Arnold Mark E. , Zeng Jianing
Published: May 2012

RATIONALE

Esterase inhibitors are widely used to stabilize ester‐containing drugs in biological matrices for quantitative liquid chromatography/tandem mass spectrometry (LC/MS/MS) assays. These co‐existing inhibitors could cause matrix effects on bioanalysis and jeopardize the assay performance. We therefore developed an LC/MS/MS methodology to monitor the fate of inhibitors and evaluate their matrix effects, which is described in this study.

METHODS

Human plasma containing 20 mM of diisopropylfluorophosphate (DFP), paraoxon, eserine, phenylmethylsulfonyl fluoride (PMSF) or 2‐thenoyltrifluoroacetone (TTFA) was extracted by liquid‐liquid extraction (LLE) and analyzed by an LC/MS/MS assay for BMS‐068645 (a model drug) with additional pre‐optimized selected reaction monitoring (SRM) transitions using positive/negative electrospray ionization (ESI) mode for each inhibitor. Hydrolytic products were characterized by product ion or neutral loss scan LC/MS/MS analysis. The matrix effect contribution from each inhibitor was evaluated by post‐column infusion of BMS‐068645.

RESULTS

In the extracted samples by LLE, SRM chromatograms revealed the presence of paraoxon, eserine and TTFA with peak intensity of >2.50E08. Three DFP hydrolytic products, diisopropyl phosphate (DP), triisopropyl phosphate (TP) and DP dimer, and one PMSF hydrolytic product, phenymethanesulfonic acid (PMSA), were identified in the extracted samples. In post‐column infusion profiles, ion suppression or enhancement was observed in the retention time regions of eserine (~10% suppression), paraoxon (~70% enhancement) and DP dimer (~20% suppression).

CONCLUSIONS

The SRM transitions described here make it possible to directly monitor the inhibitors and their hydrolytic products. In combination with post‐column infusion, this methodology provides a powerful tool to routinely monitor the matrix effects‐causing inhibitors, so that their matrix effects on the bioanalysis can be evaluated and minimized. Copyright © 2012 John Wiley & Sons, Ltd.
Enumeration of hydroxyl groups of sugars and sugar alcohols by aqueous‐based acetylation and matrix‐assisted laser desorption/ionization time‐of‐flight mass spectrometry
Authors: Adeuya Anthony , P. J. Price Neil
Published: May 2012

RATIONALE

The properties of carbohydrates are determined in part by the number and stereochemical arrangement of their hydroxyl groups. To facilitate their analysis, rapid methods are needed to identify and enumerate hydroxyl groups in sugars and polyalcohols, especially methods that are water‐based.

METHODS

The present report details the results of an alternative method for identification and enumeration of hydroxyl groups in aqueous media. It employs vinyl acetate to selectively derivatize hydroxyl groups in analytes, followed by analysis of the reaction mixtures by matrix‐assisted laser desorption/ionization time‐of‐flight mass spectrometry (MALDI‐TOF‐MS).

RESULTS

The method has been applied to several single and multi‐component mixtures of monosaccharides and polyalcohols. The O‐acetylated products were analyzed without chromatographic separation or purification by MALDI‐TOF‐MS. The mass spectra revealed consecutive ion peaks that are separated by 42 mass units as a consequence of displacement of one hydroxyl hydrogen by one acetyl group.

CONCLUSIONS

A rapid and aqueous‐based method is described to enumerate the hydroxyl groups in carbohydrates. The number of ion peaks due to derivatized products is determined by MALDI‐TOF‐MS, and corresponds to the number of free hydroxyl groups in the analyte. The method is applicable to both single and multi‐component mixtures. Published 2011. This article is a US Government work and is in the public domain in the USA.
TOF‐SIMS VG Ionex IX23LS: upgrade and application for the urinary stones analysis
Authors: Ghumman C. A. A. , Moutinho A. M. C. , Santos A. , Tolstogouzov A. , Teodoro O. M. N. D.
Published: May 2012

TOF‐SIMS VG Ionex IX23LS with upgraded data acquisition and control system was used to study the real urinary stones along with calcium oxalate (COX) and four different calcium phosphate (CP) references. Reliable phase identification of CPs was achieved in the positive SIMS mode on basis of the PO+/POH+ and CaPO2+/Ca2O+ peak ratios. In real urinary stones, pure COX was distinguished from calcium phosphates with confidence via the presence of its characteristic ion peaks. We also quantified the calcium phosphate in the human calculi containing calcium oxalate as major or minor component, which is of a great interest for medical community. Copyright © 2012 John Wiley & Sons, Ltd.
Simple universal curve for the energy‐dependent electron attenuation length for all materials
Authors: Seah M. P.
Published: May 2012

An analysis is presented for a simple, universal equation for the computation of attenuation lengths (L) for any material, necessary for quantifying layer thicknesses in Auger electron spectroscopy (AES) and X‐ray photoelectron spectroscopy (XPS). Attenuation lengths for selected materials may be computed from the inelastic mean free path (λOpt) computed, in turn, from optical data. The computation of L involves the transport mean free path and gives good L values where values of λOpt are available. However, λOpt values are not available for all materials. Instead, λ may be calculated from the TPP‐2M relation, but this requires the accurate estimation of a number of materials parameters that vary over a wide range. Although these procedures are all soundly based, they are impractical in many analytical situations. L is therefore simply reexpressed, here, in terms of the average Z of the layer which may be deduced from the AES or XPS analysis, the average atomic size a (varies in a small range) and the kinetic energy E of the emitted electron. For strongly bonded materials, such as oxides and alkali halides, a small extra term is included for the heat of formation. A new equation, S3, is established with a root mean square (RMS) deviation of 8% compared with the values of attenuation length calculated from λOpt available for elements, inorganic compounds, and organic compounds. This excellent result is suitable for practical analysis. In many films, an average value of a of 0.25 nm is appropriate, and then L may be expressed only in terms of the average Z and E. Then, L expressed in monolayers, equation S4, exhibits an RMS deviation of 9% for many elements. These results are valid for the energy range 100 to 30 000 eV and for angles of emission up to 65°. Copyright © 2012 Crown copyright.
An imaging SIMS study on the tribological properties of boron carbide thin films
Authors: Tavsanoglu Tolga , Jeandin Michel , Addemir Okan , Agirseven Okan , Yucel Onuralp
Published: May 2012

In this study, boron carbide thin films were deposited on AISI M2 grade high‐speed steel substrates by plasma‐enhanced DC magnetron sputtering of an ‘in‐house’ produced boron carbide target material. Tribological properties of the coatings have been evaluated by a ‘pin‐on‐disc’ tribometer. Wear tracks on boron carbide thin films were investigated by scanning electron microscopy‐energy dispersive spectroscopy, electron probe microanalysis and secondary ion mass spectrometry (SIMS) elemental ion imaging. The results of analyses provided information about the reliability of the SIMS ion imaging compared to the other investigation techniques on nano‐layers and nano‐sized thin films. Copyright © 2012 John Wiley & Sons, Ltd.
C60‐SIMS studies of glycerophospholipid in a LIPID MAPS model system: KDO2‐Lipid A stimulated RAW 264.7 cells
Authors: Passarelli Melissa K. , Ewing Andrew G. , Winograd Nicholas
Published: May 2012

Although secondary ion mass spectrometry (SIMS) has been successfully employed for mapping lipid distributions at the cellular level, the identification of intact lipid species in situ is often complicated by isobaric interference. The high mass resolution and tandem MS capabilities of a C60‐QSTAR hybrid instrument has been utilized to identify over 50 lipid species from mouse macrophages (RAW 264.7). In this investigation, lipid assignments made based on mass accuracy were confirmed with tandem MS analyses. Data obtained from C60‐SIMS was compared to liquid chromatography (LC)‐MS data obtained by the LIPID MAPS consortium. A majority of the lipids detected with LC‐MS, but not detected with C60‐SIMS, were present at concentrations below 2.0 pmol/µg of DNA. Matrix‐related effects prevented the detection of lipids with the glycerophosphoethanolamine (PE) headgroup, glycerophosphoserine (PS) headgroup and lipids with polyunsaturated fatty acyl chains in the C60‐SIMS analyses. Lipid distributions obtained from a lawn of RAW 264.7 cells stimulated with the endotoxin KDO2‐Lipid A were also studied. The results obtained with C60‐SIMS agreed with the established LC‐MS data for the glycerophosphoinositol lipid class (PI) with adequate molecular sensitivity achieved with as few as 500 cells. Copyright © 2012 John Wiley & Sons, Ltd.
Persistence of low wind speed conditions and implications for wind power variability
Authors: Leahy Paul G. , McKeogh Eamon J.
Published: May 2012

As the penetration of wind generation increases on power systems throughout the world, the effects of wind variability on power systems are of increasing concern. This study focuses on sustained occurrences of low wind speeds over durations ranging from 1 h to 20 days. Such events have major implications for the variability of energy yields from wind farms. This, in turn, influences the accuracy of wind resource assessment. The frequency analysis techniques commonly used to study wind variability cannot represent the autocorrelation properties of wind speeds and thus provide no information on the probabilities of occurrence of such sustained, low wind events. We present two complementary methods for assessing wind variability, runs analysis and intensity–duration–frequency analysis, both with emphasis on characterising the occurrence of continuous, extended periods (up to several days) of low wind speeds. Multi‐annual time series of hourly wind speeds from meteorological stations in Ireland are analysed with both techniques. Sustained 20‐day periods corresponding to extremely low levels of wind generation are found to have return periods of around 10 years in coastal areas. Persistent, widespread low wind speed conditions across the entire country are found to occur only rarely. Copyright © 2012 John Wiley & Sons, Ltd.
Use of Sengstaken‐Blakemore Intrahepatic Balloon: An Alternative for Liver‐Penetrating Injuries
Authors: Fraga Gustavo Pereira , Zago Thiago Messias , Pereira Bruno Monteiro , Calderan Thiago Rodrigues Araujo , Silveira Henrique Jose Virgili
Published: May 2012

Background

Severe lesions in the liver are associated with a high mortality rate. Alternative surgical techniques such as the use of an intrahepatic balloon may be effective and reduce mortality in severe hepatic lesions. This study aimed to demonstrate the experience of a university hospital in the use of the Sengstaken‐Blakemore balloon in patients with transfixing penetrating hepatic injury as an alternative way to treat these challenging injuries.

Methods

A retrospective study based on the trauma registry of a university hospital was performed. All patients admitted with hepatic penetrating injuries and treated with the Sengstaken‐Blakemore balloon within the period 1990–2010 were reviewed.

Results

Forty‐six patients with transfixing hepatic injuries were treated with the Sengstaken‐Blakemore balloon in the study period. The most frequent cause of injury was gunshot wound (87 % of the patients). The mean trauma scores on admission were Revised Trauma Score (RTS) = 7.12 ± 1.46, Injury Severity Score (ISS) = 22.4 ± 9.7, and Abdominal Trauma Index (ATI) = 19.5 ± 11. According to the severity of the hepatic trauma, 71.8 % of patients had grade III, 23.9 % grade IV, and 4.3 % grade V injuries. Associated abdominal injuries were found in 89.1 % of the patients. The most frequent liver‐related complications were hepatic abscess postoperative bleeding (8.6 %), biliary fistula (8.6 %), (4.3 %), and biliary peritonitis (2.1 %). Surgical reintervention was necessary in 14 patients (31.1 %). From those 14, only 3 had the balloon removed. The overall morbidity and mortality rates were 56.5 % and 23.9 % (11 patients), respectively.

Conclusion

The knowledge of alternative surgical techniques is essential in improving survival in patients with severe penetrating hepatic injuries. The use of intrahepatic balloon is a viable surgical strategy.
Homozygous missense mutation in BOLA3 causes multiple mitochondrial dysfunctions syndrome in two siblings
Authors: Haack Tobias B. , Rolinski Boris , Haberberger Birgit , Zimmermann Franz , Schum Jessica , Strecker Valentina , Graf Elisabeth , Athing Uwe , Hoppen Thomas , Wittig Ilka , Sperl Wolfgang , Freisinger Peter , Mayr Johannes A. , Strom Tim M. , Meitinger Thomas , Prokisch Holger
Published: May 2012

Defects of mitochondrial oxidative phosphorylation constitute a clinical and genetic heterogeneous group of disorders affecting multiple organ systems at varying age. Biochemical analysis of biopsy material demonstrates isolated or combined deficiency of mitochondrial respiratory chain enzyme complexes. Co‐occurrence of impaired activity of the pyruvate dehydrogenase complex has been rarely reported so far and is not yet fully understood. We investigated two siblings presenting with severe neonatal lactic acidosis, hypotonia, and intractable cardiomyopathy; both died within the first months of life. Muscle biopsy revealed a peculiar biochemical defect consisting of a combined deficiency of respiratory chain complexes I, II, and II+III accompanied by a defect of the pyruvate dehydrogenase complex. Joint exome analysis of both affected siblings uncovered a homozygous missense mutation in BOLA3. The causal role of the mutation was validated by lentiviral‐mediated expression of the mitochondrial isoform of wildtype BOLA3 in patient fibroblasts, which lead to an increase of both residual enzyme activities and lipoic acid levels. Our results suggest that BOLA3 plays a crucial role in the biogenesis of iron‐sulfur clusters necessary for proper function of respiratory chain and 2‐oxoacid dehydrogenase complexes. We conclude that broad sequencing approaches combined with appropriate prioritization filters and experimental validation enable efficient molecular diagnosis and have the potential to discover new disease loci.