bluuebunny/crossref_metadata_2025 huggingface dataset:
Nanofibrillar alginic acid‐derived hierarchical porous carbon supercapacitors
Authors: Tran Thai‐Hoa , Ho Sy‐Thang , Nguyen Thanh‐Dinh
Published: February 2014

A versatile route has been demonstrated for the preparation of hierarchical porous carbon films derived from nanofibrillar alginic acid extracted from brown seaweeds. An acetic acid‐sodium acetate buffer was used to adjust pH of the nanofibrillar alginic acid gels, giving rise to a stable aqueous homogeneous suspension at the concentration of 5.0 wt% and pH ∼4.5. A crack‐free nanofibrillar alginic acid film with a diameter of several centimeters was cast from the suspension. Self‐condensing silica around nanofibrillar alginic acid formed silica‐alginic acid composites that were carbonised and then etched the silica to generate mesoporous carbon films. The aligned mesochannel carbon was originated from the hierarchical parallel organisation of the self‐assembled nanofibrillar alginic acid. The introduction of mesoporosity into the carbon structure afforded the high‐surface‐area mesoporous carbon film‐based supercapacitor that exhibits an ultrahigh‐rate capability and highly electrical capacitance.
Comparison of Clinical Trial Outcome Patterns in Patients Following Acute Coronary Syndromes and in Patients With Chronic Stable Atherosclerosis
Authors: Mahaffey Kenneth W. , Wojdyla Daniel M. , Pieper Karen S. , Tricoci Pierluigi , Alexander John H. , Lincoff A. Michael , Brennan Danielle M. , Bhatt Deepak L. , Wallentin Lars , Harrington Robert A.
Published: February 2014

Background

The transition of patients with atherosclerotic vascular disease from the acute phase of the disease to the chronic stable atherosclerosis (CSA) phase has not been well characterized. We sought to compare ischemic and bleeding outcomes in hospitalized patients enrolled in clinical trials of non–ST‐elevation acute coronary syndrome (ACS) with patients enrolled in outpatient trials of CSA.

Hypothesis

The risk for recurrent events will differ between the 2 populations.

Methods

Patient‐level outcome data were evaluated from 3 consecutive trials of patients with ACS with long‐term follow‐up and 2 trials of patients with CSA. Kaplan‐Meier curves were generated for ischemic and bleeding outcomes.

Results

In total, 37 370 patients were included in these analyses. Of these, 28 489 (76.2%) were from ACS trials and 8881 (23.8%) from chronic trials. During the first year of follow‐up, 1353 deaths, 1081 cardiovascular (CV) deaths, 2113 myocardial infarctions (MIs), and 397 strokes occurred across the trials. Six‐month Kaplan‐Meier event rates for CV death, MI, or stroke were higher in the ACS trials compared with the CSA trials (8.6% vs 2.7%), as were the 1‐year CV death rate (3.6% vs 1.7%) and 1‐year rates for GUSTO moderate or severe bleeding (6.0% vs 1.3%). Qualitatively, the Kaplan‐Meier curves appear to show an early increased risk as well as a continued increased risk over time.

Conclusions

Patients with ACS enrolled while in the hospital appear to have different risk profiles for ischemic and bleeding outcomes compared with outpatients enrolled with CSA, including those patients with ACS after the acute phase.
Insights into the effects of disease‐causing mutations in human actins
Authors: Rubenstein Peter A. , Wen Kuo‐Kuang
Published: February 2014

Mutations in all six actins in humans have now been shown to cause diseases. However, a number of factors have made it difficult to gain insight into how the changes in actin functions brought about by these pathogenic mutations result in the disease phenotype. These include the presence of multiple actins in the same cell, limited accessibility to pure mutant material, and complexities associated with the structures and their component cells that manifest the diseases. To try to circumvent these difficulties, investigators have turned to the use of model systems. This review describes these various approaches, the initial results obtained using them, and the insight they have provided into allosteric mechanisms that govern actin function. Although results so far have not explained a particular disease phenotype at the molecular level, they have provided valuable insight into actin function at the mechanistic level which can be utilized in the future to delineate the molecular bases of these different actinopathies. © 2014 Wiley Periodicals, Inc.
Production of Hydrogen by Glycerol Photoreforming Using Binary Nitrogen–Metal‐Promoted N‐M‐TiO2 Photocatalysts
Authors: Taylor Sean , Mehta Mihir , Samokhvalov Alexander
Published: February 2014

The need for renewable energy focuses attention on hydrogen obtained by using sustainable and green methods. The sustainable compound glycerol can be used for hydrogen production by heterogeneous photocatalysis. A novel approach involves the promotion of the TiO2 photocatalyst with a binary combination of nitrogen and transition metal. We report the synthesis and spectroscopic characterization of the new N‐M‐TiO2 photocatalysts (M=none, Cr, Co, Ni, Cu), and the photocatalytic reforming of glycerol to hydrogen under ambient conditions and near‐UV or visible light versus benchmark P25 TiO2. In units of activity μmol m−2 h−1, N‐Ni‐TiO2 is five‐fold more active than P25, and N‐Cu‐TiO2 is 44‐fold more active. The photocatalytic activity of N‐M‐TiO2 increases from Cr to Co and Ni, whereas the photoluminescence decreases; the change in activity is due to the modulation of charge recombination.
Isothermal crystallization behavior and crystal structure of poly(ethylene terephthalate‐co‐1,4‐cyclohexylene dimethylene terephthalate) (P(ET/CT)) copolyesters
Authors: Chen Tingting , Jiang Guodong , Zhang Jun
Published: February 2014

Poly(ethylene terephthalate) (PET) and a series of poly(ethylene terephthalate‐co‐1,4‐cyclohexylene dimethylene terephthalate) (P(ET/CT)) copolyesters with different molar ratios of ethylene glycol (EG) to 1,4‐cyclohexanedimethanol (1,4‐CHDM) were investigated by their isothermal crystallization behavior, transparency, crystal structure and morphology changes in different isothermal crystallization process using differential scanning calorimetry (DSC), digital photos, wide‐angle X‐ray diffraction (WAXD) and polarized optical microscopy (POM). The results revealed that P(ET/CT) copolyesters with ≤ 15 mol% 1,4‐CHDM and ≥ 50 mol% 1,4‐CHDM, such as P(ET/CT)(85/15), P(ET/CT)(50/50) and P(ET/CT)(30/70), were crystallizable, while that with 30 mol% 1,4‐CHDM, namely P(ET/CT)(70/30), was amorphous. The crystallization rate, crystallinity and transparency of these copolyesters underwent the same isothermal crystallization process, i.e. it first decreased and then increased remarkably with the increase of 1,4‐CHDM content. Accordingly, the crystal structure of these copolyesters changed from PET‐type lattice to PCT‐type lattice when the copolyester with around 30 mol% 1,4‐cyclohexylene dimethylene terephthalate (CT) unit. Interestingly, the small incorporation of 1,4‐CHDM into PET could lead to the formation of larger spherulite crystals than that of PET. But small and grainy crystallites appeared with further increase in the 1,4‐CHDM content.
Properties of human blood monocytes. I. CD91 expression and log orthogonal light scatter provide a robust method to identify monocytes that is more accurate than CD14 expression
Authors: Hudig Dorothy , Hunter Kenneth W. , Diamond W. John , Redelman Doug
Published: February 2014

Background

This study was designed to improve identification of human blood monocytes by using antibodies to molecules that occur consistently on all stages of monocyte development and differentiation.

Methods

We examined blood samples from 200 healthy adults without clinically diagnosed immunological abnormalities by flow cytometry (FCM) with multiple combinations of antibodies and with a hematology analyzer (Beckman LH750).

Results

CD91 (α2‐macroglobulin receptor) was expressed only by monocytes and to a consistent level among subjects [mean median fluorescence intensity (MFI) = 16.2 ± 3.2]. Notably, only 85.7 ± 5.82% of the CD91+ monocytes expressed high levels of the classical monocyte marker CD14, with some CD91+ CD16+ cells having negligible CD14, indicating that substantial FCM under‐counts will occur when monocytes are identified by high CD14. CD33 (receptor for sialyl conjugates) was co‐expressed with CD91 on monocytes but CD33 expression varied by nearly ten‐fold among subjects (mean MFI = 17.4 ± 7.7). In comparison to FCM analyses, the hematology analyzer systematically over‐counted monocytes and eosinophils while lymphocyte and neutrophil differential values generally agreed with FCM methods.

Conclusions

CD91 is a better marker to identify monocytes than CD14 or CD33. Furthermore, FCM (with anti‐CD91) identifies monocytes better than a currently used clinical CBC instrument. Use of anti‐CD91 together with anti‐CD14 and anti‐CD16 supports the identification of the diagnostically significant monocyte populations with variable expression of CD14 and CD16. © 2013 International Clinical Cytometry Society
Senescence‐associated β‐galactosidase activity marks the visceral endoderm of mouse embryos but is not indicative of senescence
Authors: Huang Tingting , Rivera‐Pérez Jaime A.
Published: February 2014

Summary: Senescence‐associated β‐galactosidase (SA‐β‐gal) activity is widely used as a marker of cellular senescence and as an indicator of organismal aging. Here, we report that SA‐β‐gal activity is present in the visceral endoderm layer of early postimplantation mouse embryos in predictable patterns that vary as the embryo progresses in development. However, determination of the mitotic index and analysis of the expression of Cdkn1a (p21), a marker of senescent cells, do not indicate cellular senescence. Instead, analysis of embryos in culture revealed the presence of SA‐β‐gal activity in apical vacuoles of visceral endoderm cells likely a reflection of acidic β‐galactosidase function in these organelles. SA‐β‐gal serves as a practical marker of the dynamics of the visceral endoderm that can be applied to developmental as well as functional studies of early mammalian embryos. genesis 52:300–308, 2014. © 2014 Wiley Periodicals, Inc.
Translation and validation of a spanish version of the sociocultural attitudes towards appearance questionnaire‐4 (SATAQ‐4)
Authors: Llorente Enrique , Gleaves David H. , Warren Cortney S. , Pérez‐de‐Eulate Lourdes , Rakhkovskaya Liya
Published: February 2014

Objective

The goal of this study was to create a Spanish version of the Sociocultural Attitudes Towards Appearance Questionnaire‐4 (SATAQ‐4) and examine its factorial validity, reliability, and convergent validity in a sample of women from Spain.

Method

Two hundred and sixty female college students from Spain completed the Spanish version of the SATAQ‐4 and measures for eating pathology.

Results

Internal consistency was high; data from EFA and CFA supported the original five‐factor structure; and results showed good convergent validity with measures of body‐image and eating problems.

Discussion

Results strongly support the psychometric properties of the Spanish version of SATAQ‐4 and its use to examine perceived pressure for thinness from parents, peers and the media; and thin‐ and muscular/athletic‐ideal internalization in Spanish‐speaking adult women. © 2014 Wiley Periodicals, Inc. (Int J Eat Disord 2015; 48:170–175)
Use of the p‐Tolylsulfinyl Group as a Chiral Inductor in Stereoselective [4+3] Cycloaddition Reactions: Preparation of Enantiopure Polysubstituted 8‐Oxabicyclo[3.2.1]oct‐6‐en‐3‐one Systems Having up to Five Stereocenters
Authors: Montaña Ángel M. , Grima Pedro M. , Batalla Consuelo , Sanz Francisca , Kociok‐Köhn Gabriele
Published: February 2014

The use of the p‐tolylsulfinyl group as a chiral inductor in stereoselective [4+3] cycloaddition reactions has made possible the preparation of enantiopure polysubstituted 8‐oxabicyclo[3.2.1]oct‐6‐en‐3‐one systems having up to five stereocenters. The presence in the furan diene of a susbtituent at the 3‐position bearing an atom with lone‐pair electrons propitiates the coordination of a metallic atom by the sulfoxide and the R3 “ligand” group. This chelation effect, together with the stereoelectronic demand of the R3 and sulfoxide groups, considerably decreases the degree of conformational freedom of the diene moiety in the cyclic transition state leading to the observed stereoselectivity. By choosing appropriate substituents in the furan ring, it is possible to obtain 100:0 cis‐trans and 100:0 endo‐exo diastereoselectivities. Up to 100 % π‐facial diastereoselectivity (enantioselectivity after removal of the sulfoxide group) could be reached. Yields lie within the range of 50–80 %, depending on the furan substrate. However, if the furan diene is fitted with deactivating electron‐withdrawing substituents, low conversions were observed under certain reaction conditions, but always with excellent‐to‐complete chemo‐ and stereoselectivities. The conversion and yield increase on introduction of an electron‐donating substituent at the C‐3 of the furan ring.
Electrochemical Sensors for Nitric Oxide Detection in Biological Applications
Authors: Xu Tailin , Scafa Nikki , Xu Li‐Ping , Su Lei , Li Chenzhong , Zhou Shufeng , Liu Yang , Zhang Xueji
Published: February 2014

Nitric oxide (NO) plays an important role in physiological processes and it has been confirmed some human diseases are related to its biological function. Electrochemical sensors provide an efficient way to explore the NO function in biological processes. This review details different kinds of electrochemical sensors used for NO concentration detection between 2008 and 2013 together with their application in biological samples. Four commonly used electrodes and different assisted analysis membranes used for contributions towards the development of the novel sensors were summarized. Electrochemical sensors employed to measure NO concentration in a single cell, cell culture, tissue homogenate, organ, in vivo, human being, as well as in plant were also detailed. The trends of developing novel NO sensors were outlooked in the last part.
Absolute quantitation of host cell proteins in recombinant human monoclonal antibodies with an automated CZE‐ESI‐MS/MS system
Authors: Zhu Guijie , Sun Liangliang , Linkous Travis , Kernaghan Dawn , McGivney James B. , Dovichi Norman J.
Published: February 2014

We report the first use of CZE for absolute characterization of host cell proteins (HCPs) in recombinant human monoclonal antibodies. An electrokinetically pumped nanoelectrospray interface was used to couple CZE with a tandem mass spectrometer. Three isotopic‐labeled peptides (LSFDKDAMVAR, VDIVENQAMDTR, and LVSDEMVVELIEK) were synthesized by direct incorporation of an isotope‐labeled lysine or arginine. The heavy‐labeled peptides were spiked in the HCP digests at known concentrations. After CZE‐ESI‐MS/MS analysis, the peaks of native and isotopic‐labeled peptides were extracted with mass tolerance ≤ 5 ppm from the electropherograms, and the ratios of peak area between native and isotopic‐labeled peptides pairs were calculated. Calibration curves (the ratios of peak area versus spiked peptide amount) with R2 values of 0.999, 0.997, and 0.999 were obtained for the three HCP peptides, and the absolute amounts of the three proteins present were determined to be at the picomole level in a 20 μg sample of digested HCPs. The target proteins were present at the 7–30 ppt level in the purified HCP samples.
Modulation of estrogen and epidermal growth factor receptors by rosemary extract in breast cancer cells
Authors: González‐Vallinas Margarita , Molina Susana , Vicente Gonzalo , Sánchez‐Martínez Ruth , Vargas Teodoro , García‐Risco Mónica R. , Fornari Tiziana , Reglero Guillermo , Ramírez de Molina Ana
Published: February 2014

Breast cancer is the leading cause of cancer‐related mortality among females worldwide, and therefore the development of new therapeutic approaches is still needed. Rosemary (Rosmarinus officinalis L.) extract possesses antitumor properties against tumor cells from several organs, including breast. However, in order to apply it as a complementary therapeutic agent in breast cancer, more information is needed regarding the sensitivity of the different breast tumor subtypes and its effect in combination with the currently used chemotherapy. Here, we analyzed the antitumor activities of a supercritical fluid rosemary extract (SFRE) in different breast cancer cells, and used a genomic approach to explore its effect on the modulation of ER‐α and HER2 signaling pathways, the most important mitogen pathways related to breast cancer progression. We found that SFRE exerts antitumor activity against breast cancer cells from different tumor subtypes and the downregulation of ER‐α and HER2 receptors by SFRE might be involved in its antitumor effect against estrogen‐dependent (ER+) and HER2 overexpressing (HER2+) breast cancer subtypes. Moreover, SFRE significantly enhanced the effect of breast cancer chemotherapy (tamoxifen, trastuzumab, and paclitaxel). Overall, our results support the potential utility of SFRE as a complementary approach in breast cancer therapy.
Morphological features of the neonatal brain support development of subsequent cognitive, language, and motor abilities
Authors: Spann Marisa N. , Bansal Ravi , Rosen Tove S. , Peterson Bradley S.
Published: February 2014

Knowledge of the role of brain maturation in the development of cognitive abilities derives primarily from studies of school‐age children to adults. Little is known about the morphological features of the neonatal brain that support the subsequent development of abilities in early childhood, when maturation of the brain and these abilities are the most dynamic. The goal of our study was to determine whether brain morphology during the neonatal period supports early cognitive development through 2 years of age. We correlated morphological features of the cerebral surface assessed using deformation‐based measures (surface distances) of high‐resolution MRI scans for 33 healthy neonates, scanned between the first to sixth week of postmenstrual life, with subsequent measures of their motor, language, and cognitive abilities at ages 6, 12, 18, and 24 months. We found that morphological features of the cerebral surface of the frontal, mesial prefrontal, temporal, and occipital regions correlated with subsequent motor scores, posterior parietal regions correlated with subsequent language scores, and temporal and occipital regions correlated with subsequent cognitive scores. Measures of the anterior and middle portions of the cingulate gyrus correlated with scores across all three domains of ability. Most of the significant findings were inverse correlations located bilaterally in the brain. The inverse correlations may suggest either that a more protracted morphological maturation or smaller local volumes of neonatal brain tissue supports better performance on measures of subsequent motor, language, and cognitive abilities throughout the first 2 years of postnatal life. The correlations of morphological measures of the cingulate with measures of performance across all domains of ability suggest that the cingulate supports a broad range of skills in infancy and early childhood, similar to its functions in older children and adults. Hum Brain Mapp 35:4459–4474, 2014. © 2014 Wiley Periodicals, Inc.
Transoral robotic supraglottic laryngectomy: Surgical considerations
Authors: Durmus Kasim , Gokozan Hamza N. , Ozer Enver
Published: February 2014

Background

Transoral robotic surgery (TORS) has emerged as a novel, safe, and feasible procedure for the resection of supraglottic laryngeal cancers. The purpose of this study was to demonstrate the surgical technique for TORS supraglottic laryngectomy (SGL).

Methods

A patient with a T2N0M0 laryngeal cancer limited to the supraglottic larynx was selected for TORS.

Results

En bloc tumor resection was accomplished with negative surgical margins together with bilateral selective neck dissection. There was no perioperative or early postoperative complication. The patient was extubated immediately after surgery. Oral supraglottic diet was initiated within the first 24 hours. No gastrostomy or tracheostomy tube placement was required. A video demonstration of the surgical technique is included on Head & Neck's website.

Conclusion

TORS SGL is a safe and feasible procedure for the resection of selected supraglottic tumors. © 2014 Wiley Periodicals, Inc. Head Neck 37: 125–126, 2015
The Extra‐Territoriality of the Statutory Stay in an English Administration
Authors: Anderson Hamish
Published: February 2014

This article considers the extra‐territorial scope of the stay imposed in an English administration and argues that it should be treated by the English courts as applying without territorial limitation but that the courts should nonetheless grant leave to proceed in other jurisdictions in any case where there is no sufficient connection with England. It argues that this solution would be right in principle and that the court is not constrained from adopting such an approach by precedent. Copyright © 2014 INSOL International and John Wiley & Sons, Ltd
Assessing the Assessments
Authors: Harmer Ron
Published: February 2014

They said of the July 1997 Asian regional financial crisis that ‘…it could never happen again’. They were right. There has not been another regional crisis—just an international one! This paper owes its origins to the Asian financial crisis. The crisis sparked the development of an assessment model for the evaluation of insolvency laws. The paper reviews the considerable developments in this area, commencing with the pioneering work of the Asian Development Bank in the aftermath of the Asian financial crisis in 1997 and culminating in the, now, quite established triennial practice of the European Bank for Reconstruction and Development (EBRD) in its assessment of the insolvency laws of its ‘countries of operation’. Along the way, mention is also made of the development and application of the World Bank ‘Principles’ and the United Nations Commission on International Trade Law Legislative Guide for Insolvency Law. All of these diagnostic tools have been variously employed in an endeavour to provide a fair and acceptable basis for evaluating an insolvency law. The paper draws comparisons from these tools and concludes that there is a considerable degree of correlation between them, such that approaches taken in 1998 have remained much the same to this time. The EBRD assessment programme is singled out for fuller analysis. It was developed with the benefit of the earlier assessment models and is consistently used as a means of tracking the development of insolvency laws. Accordingly, the paper presents the survey questionnaire on which the EBRD assessment is based, explains the methodology behind it and presents the results of the last of such assessments (2009). It invites an examination of the bases on which the EBRD assessments are undertaken and whether the approach is sufficiently broad, objective and fair and its use in possibly creating aspirations for reform. One purpose of the paper is to capture and record the historical origins and development of the assessment models before it all becomes lost in the passage of time. The paper also advances the use of the EBRD assessment model as a teaching tool in courses in comparative and international insolvency law. Copyright © 2014 INSOL International and John Wiley & Sons, Ltd
Prognostic value of tissue and circulating levels of IMP3 in prostate cancer
Authors: Szarvas Tibor , Tschirdewahn Stephan , Niedworok Christian , Kramer Gero , Sevcenco Sabina , Reis Henning , Shariat Shahrokh F. , Rübben Herbert , vom Dorp Frank
Published: February 2014

Tissue levels of the oncofetal protein insulin‐like growth factor 2 (IGF2) messenger RNA‐binding protein 3 (IMP3) have been associated with poor prognosis in multiple human malignancies. However, its circulating levels have not yet been analyzed. Therefore, the aim of this study was to assess the prognostic value of both serum and tissue levels of IMP3 in prostate cancer (PC). IMP3 protein expression was analyzed in 124 PC and 13 benign prostate hyperplasia (BPH) patients using immunohistochemistry. Gene expression levels of IMP3 and its molecular target IGF2 were analyzed in 29 frozen and 26 paraffin‐embedded PC tissues using real‐time polymerase chain reaction and immunohistochemistry. Serum IMP3 levels were assessed in 94 PC and 20 BPH patients as well as in 20 controls using enzyme‐linked immunosorbent assay. IMP3 immunostaining was present in 0% (0/13) of BPHs, 15% (15/101) of clinically localized PCs and 65% (15/23) of palliatively treated metastatic PCs (p < 0.001). Accordingly, serum IMP3 concentrations were significantly higher in PC compared to BPH patients which were higher than those in controls (p < 0.001 each). The highest concentrations were detected in metastatic PC patients (p = 0.036). In patients who underwent radical prostatectomy high IMP3 serum levels were independently associated with poor cancer‐specific survival. IMP3 gene and protein expressions were not correlated with those of IGF2. In conclusion, we found enhanced IMP3 levels in tissue and serum samples of PC patients compared to non‐PC men. Moreover, IMP3 was associated with metastasis and PC‐specific survival. The tumor promoting effect of IMP3 appears to be independent from its regulatory role on IGF2 in PC.
THE USE OF WATER IN THE AGRICULTURAL SECTOR: A PROCEDURE FOR THE ASSESSMENT OF LARGE‐SCALE IRRIGATION EFFICIENCY WITH GIS
Authors: Tromboni Flavia , Bortolini Lucia , Martello Marco
Published: February 2014

Large‐scale water assessment models can be valid decision support systems for water management institutions. We developed a spatially distributed model in order to evaluate efficiencies of irrigation scenarios. Model development required four stages: questionnaire data collection from farmers, integration of questionnaire data with water supply and physical soil characteristics data, cluster analysis with Management Zone Analyst, and GIS for spatial distribution. Four irrigation scenarios in the north‐east of Italy were compared: (i) the current condition (three turns of 24 h of supplied water per month), (ii) scenario 2 (three turns of 16 h of supplied water per month), (iii) scenario 3 (four turns of 12 h per month); and (iv) scenario 4 (4 turns of 10 h per month). In the current irrigation scheme, results show high potential water excess in every month of the irrigation season. Shifting from three to four irrigation turns per month increased the probability of water excess, because water losses decreased and water availability for plants increased. For the same reason, potential water excess increased when the duration of each turn decreased, even when the total water supply was reduced. The irrigation efficiency index, therefore, was lowest in scenario 1 compared to the other scenarios. Scenario 4, in contrast, was the most efficient. Copyright © 2014 John Wiley & Sons, Ltd.
Rapid determination of RMSDs corresponding to macromolecular rigid body motions
Authors: Popov Petr , Grudinin Sergei
Published: February 2014

Finding the root mean sum of squared deviations (RMSDs) between two coordinate vectors that correspond to the rigid body motion of a macromolecule is an important problem in structural bioinformatics, computational chemistry, and molecular modeling. Standard algorithms compute the RMSD with time proportional to the number of atoms in the molecule. Here, we present RigidRMSD, a new algorithm that determines a set of RMSDs corresponding to a set of rigid body motions of a macromolecule in constant time with respect to the number of atoms in the molecule. Our algorithm is particularly useful for rigid body modeling applications, such as rigid body docking, and also for high‐throughput analysis of rigid body modeling and simulation results. We also introduce a constant‐time rotation RMSD as a similarity measure for rigid molecules. A C++ implementation of our algorithm is available at http://nano‐d.inrialpes.fr/software/RigidRMSD. © 2014 Wiley Periodicals, Inc.
Investigation of the distinction between van der Waals interaction and chemical bonding based on the PAEM‐MO diagram
Authors: Zhao Dong‐Xia , Yang Zhong‐Zhi
Published: February 2014

In recent years, the basic problem of understanding chemical bonding, nonbonded, and/or van der Waals interactions has been intensively debated in terms of various theoretical methods. We propose and construct the potential acting on one electron in a molecule‐molecular orbital (PAEM‐MO) diagram, which draws the PAEM inserted the MO energy levels with their major atomic orbital components. PAEM‐MO diagram is able to show clear distinction of chemical bonding from nonbonded and/or vdW interactions. The rule for this is as follows. Along the line connecting two atoms in a molecule or a complex, the existence of chemical bonding between these two atoms needs to satisfy two conditions: (a) a critical point of PAEM exists and (b) PAEM barrier between the two atoms is lower in energy than the occupied major valence‐shell bonding MO which contains in‐phase atomic components (positive overlap) of the two considered atoms. In contrast to the chemical bonding, for a nonbonded interaction or van der Waals interaction between two atoms, both conditions (a) and (b) do not be satisfied at the same time. This is demonstrated and discussed by various typical cases, particularly those related to helium atom and HH bonding in phenanthrene. There are helium bonds in HHeF and HeBeO molecules, whereas no HH bonding in phenanthrene. The validity and limitation for this rule is demonstrated through the investigations of the curves of the PAEM barrier top and MO energies versus the internuclear distances for He2, H2, and He2+systems. © 2014 Wiley Periodicals, Inc.
Whole‐lesion apparent diffusion coefficient metrics as a marker of percentage Gleason 4 component within Gleason 7 prostate cancer at radical prostatectomy
Authors: Rosenkrantz Andrew B. , Triolo Michael J. , Melamed Jonathan , Rusinek Henry , Taneja Samir S. , Deng Fang‐Ming
Published: February 2014

Purpose

To retrospectively assess the utility of whole‐lesion apparent diffusion coefficient (ADC) metrics in characterizing the Gleason 4 component of Gleason 7 prostate cancer (PCa) at radical prostatectomy.

Materials and Methods

Seventy patients underwent phased‐array coil 3T‐magnetic resonance imaging (MRI) before prostatectomy. A uropathologist mapped locations and Gleason 4 percentage (G4%) of Gleason 7 tumors. Two radiologists independently reviewed ADC maps, aware of tumor locations but not G4%, and placed a volume‐of‐interest (VOI) on all slices including each lesion on the ADC map to obtain whole‐lesion mean ADC and ADC entropy. Entropy reflects textural variation and increases with greater macroscopic heterogeneity. Performance for characterizing Gleason 7 tumors was assessed with mixed‐model analysis of variance (ANOVA) and logistic regression.

Results

Among 84 Gleason 7 tumors (G4% 5%–85%, median 30%; 59 Gleason 3+4, 25 Gleason 4+3), ADC entropy was significantly higher in Gleason 4+3 than Gleason 3+4 tumors (R1: 5.27 ± 0.61 vs. 4.62 ± 0.78, P = 0.001; R2: 5.91 ± 0.32 vs. 5.57 ± 0.56, P = 0.004); mean ADC was not significantly different between these groups (R1: 0.90 ± 0.15*10−3cm2/s vs. 0.98 ± 0.21*10−3cm2/s, P = 0.075; R2: 1.06 ± 0.19*10−3cm2/s vs. 1.14 ± 0.16*10−3cm2/s, P = 0.083). The area under the receiver operating characteristic (ROC) curve (AUC) for differentiating groups was significantly higher with ADC entropy than mean ADC for one observer (R1: 0.74 vs. 0.57, P = 0.027; R2: 0.69 vs. 0.61, P = 0.329). For R1, correlation with G4% was moderate for ADC entropy (r = 0.45) and weak for mean ADC (r = −0.25). For R2, correlation with G4% was moderate for ADC entropy (r = 0.41) and mean ADC (r = −0.32). For both readers, ADC entropy (P = 0.028–0.003), but not mean ADC (P = 0.384–0.854), was a significant independent predictor of G4%.

Conclusion

Whole‐lesion ADC entropy outperformed mean ADC in characterizing Gleason 7 tumors and may help refine prognosis for this heterogeneous PCa subset. J. Magn. Reson. Imaging 2015;41:708–714. © 2014 Wiley Periodicals, Inc.
Multiple‐stage linear ion‐trap with high resolution mass spectrometry towards complete structural characterization of phosphatidylethanolamines containing cyclopropane fatty acyl chain in Leishmania infantum
Authors: Hsu Fong‐Fu , Matthew Kuhlmann F. , Turk John , Beverley Stephen M.
Published: February 2014

The structures of phosphatidylethanolamine (PE) in Leishmania infantum are unique in that they consist of a rare cyclopropane fatty acid (CFA) containing PE subfamily, including CFA‐containing plasmalogen PE species. In this contribution, we applied multiple‐stage linear ion‐trap combined with high‐resolution mass spectrometry to define the structures of PEs that were desorbed as [M – H]− and [M – H + 2Li]+ ions by ESI, respectively. The structural information arising from MSn on both the molecular species are complimentary, permitting complete determination of PE structures, including the identities of the fatty acid substituents and their location on the glycerol backbone, more importantly, the positions of the double bond(s) and of the cyclopropane chain of the fatty acid chain, directing to the realization of the CFA biosynthesis pathways that were reported previously. We also uncovered the presence of a minor dimethyl‐PE subclass that has not been previously reported in L. infantum. This LIT MSn mass spectrometric approach led to unambiguous identification of PE molecules including many isomers in complex mixture that would otherwise be very difficult to define using other analytical approaches. Copyright © 2014 John Wiley & Sons, Ltd.
Mass spectrometry imaging of surface lipids on intact Drosophila melanogaster flies
Authors: Kaftan Filip , Vrkoslav Vladimír , Kynast Philipp , Kulkarni Purva , Böcker Sebastian , Cvačka Josef , Knaden Markus , Svatoš Aleš
Published: February 2014

The spatial distribution of neutral lipids and semiochemicals on the surface of six‐day‐old separately reared naive Drosophila melanogaster flies has been visualized and studied using matrix‐assisted laser desorption/ionization‐time of flight (MALDI‐TOF) mass spectrometry and laser‐assisted desorption/ionization (LDI)‐TOF imaging (MSI). Metal targets were designed for two‐dimensional MSI of the surface of 3‐D biological objects. Targets with either simple grooves or profiled holes designed to accurately accommodate the male and female bodies were fabricated. These grooves and especially holes ensured correct height fixation and spatial orientation of the flies on the targets after matrix application and sample drying. For LDI‐TOF to be used, the flies were arranged into holes and fixed to a plane of the target using fast‐setting glue. In MALDI‐TOF mode, the flies were fixed as above and sprayed with a lithium 2,5‐dihydroxybenzoate matrix using up to 100 airbrush spray cycles. The scanning electron microscopy images revealed that the deposits of matrix were homogenous and the matrix formed mostly into the clusters of crystals (40–80 µm) that were separated from each other by an uncovered cuticle surface (30–40 µm). The MSI using target with profiled holes provided superior results to the targets with simple grooves, eliminating the ion suppression/mass deviation due to the 3‐D shape of the flies. Attention was paid to neutral lipids and other compounds including the male anti‐attractant 11‐cis‐vaccenyl acetate for which the expected distribution with high concentration on the tip of the male abdomen was confirmed. The red and blue mass shift (PlusMinus1 colour scale) was observed associated with mass deviation predominantly between ±0.2 and 0.3 Da. We use in‐house developed software for mass recalibration, to eliminate the mass deviation effects and help with the detection of low‐intensity mass signals. Copyright © 2014 John Wiley & Sons, Ltd.
Modeling of high‐frequency noise of silicon CMOS transistors for RFIC design
Authors: Antonopoulos Angelos , Bucher Matthias , Papathanasiou Kostas , Makris Nikolaos , Mavredakis Nikolaos , Sharma Rupendra Kumar , Sakalas Paulius , Schroter Michael
Published: February 2014

This work presents high‐frequency noise measurements and compact modeling for a 90‐nm silicon complementary metal–oxide–semiconductor (CMOS) technology in terms of radio frequency (RF) figures of merit (FoMs). Minimum noise figure (NFmin), equivalent noise resistance (Rn), optimum source reflection coefficient (Γopt), thermal noise excess factor and a recently introduced FoM for common‐source low‐noise amplifier (LNA) design are presented from a circuit design perspective. For this purpose, the behavior of the above mentioned RF FoMs is investigated over the level of channel inversion, providing insight from a circuit design point of view. The EKV3 MOSFET advanced compact model has been used in Spectre simulator, and results are validated over a large range of frequencies, channel lengths and bias points, for both N‐type and P‐type MOS devices. Optimum performance is shown to be shifted from higher to lower levels of inversion in moderate inversion, when scaling from 240 nm down to 100 nm. This is of great significance considering that the demand for low‐power RF circuits becomes more and more imperative, as planar silicon CMOS technology is scaled to the deca‐nanometer regime. Copyright © 2014 John Wiley & Sons, Ltd.
Microgroove formation in surface ridges in impact elliptical EHL contacts
Authors: Kaneta M. , Guo F. , Wang J. , Krupka I. , Hartl M.
Published: February 2014

The microgrooves are formed in the surface ridges by local pressure increases caused by impact loading in elliptical elastohydrodynamic contacts. It has been elucidated through isothermal Newtonian numerical analyses that the depth and the distribution of microgrooves are influenced by the height, shape and orientation of the ridges, the initial impact gap, the maximum load and time being exposed to the maximum load. The formation of the microgrooves induced by local high pressures will influence the surface failure of machine elements. Copyright © 2014 John Wiley & Sons, Ltd.
Synthesis and Photovoltaic Properties of a D–A Copolymer Based on the 2,3‐Di(5‐hexylthio­phen‐2‐yl)quinoxaline Acceptor Unit
Authors: Wang Kun , Zhang Zhi‐Guo , Fu Qiang , Li Yongfang
Published: February 2014

A new D–A copolymer (PBDT‐DTQx) based on the 2,3‐di(5‐hexylthiophen‐2‐yl)quinoxaline acceptor unit and a bithienyl‐substituted benzodithiophene (BDT) donor unit is designed and synthesized for application as the donor material in polymer solar cells (PSCs). The polymer film shows a broad absorption band covering the wavelength range from 300 to 720 nm and a low highest occupied molecular orbital (HOMO) energy level at −5.35 eV. A device based on PBDT‐DTQx:PC70BM ([6,6]‐phenyl‐C71‐butyric acid methyl ester) (1:2.5, w/w) with chloronaphthalene as a solvent additive displays a power conversion efficiency (PCE) of 3.15%. With methanol treatment, the PCE of the PSCs is further improved to 3.90% with a significant increase of the short‐circuit current density, Jsc, from 10.10 mA cm−2 for the device without the methanol treatment to 11.71 mA cm−2 for the device with the methanol treatment.

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Feasibility and acceptability of the DSM‐5 Field Trial procedures in the Johns Hopkins Community Psychiatry Programs
Authors: Clarke Diana E. , Wilcox Holly C. , Miller Leslie , Cullen Bernadette , Gerring Joan , Greiner Lisa H. , Newcomer Alison , McKitty Mellisha V. , Regier Darrel A. , Narrow William E.
Published: February 2014

The Diagnostic and Statistical Manual of Mental Disorders, Fifth Edition (DSM‐5) contains criteria for psychiatric diagnoses that reflect advances in the science and conceptualization of mental disorders and address the needs of clinicians. DSM‐5 also recommends research on dimensional measures of cross‐cutting symptoms and diagnostic severity, which are expected to better capture patients' experiences with mental disorders. Prior to its May 2013 release, the American Psychiatric Association (APA) conducted field trials to examine the feasibility, clinical utility, reliability, and where possible, the validity of proposed DSM‐5 diagnostic criteria and dimensional measures. The methods and measures proposed for the DSM‐5 field trials were pilot tested in adult and child/adolescent clinical samples, with the goal to identify and correct design and procedural problems with the proposed methods before resources were expended for the larger DSM‐5 Field Trials. Results allowed for the refinement of the protocols, procedures, and measures, which facilitated recruitment, implementation, and completion of the DSM‐5 Field Trials. These results highlight the benefits of pilot studies in planning large multisite studies. Copyright © 2013, American Psychiatric Association. All rights reserved.
Reporting suicide attempts: consistency and its determinants in a large mental health study
Authors: Eikelenboom Merijn , Smit Johannes H. , Beekman Aartjan T. F. , Kerkhof Ad J. F. M. , Penninx Brenda W. J. H.
Published: February 2014

A lifetime history (LTH) of suicide attempts (SAs) is frequently assessed in mental health surveys. However, little is known about the reliability of assessing a LTH of SA. This study examined the consistency and its determinants of reporting a LTH of SA in a large cohort of persons with a history of depression and/or anxiety. Data are from the baseline and two‐year assessments of the Netherlands Study of Depression and Anxiety. Persons with a Composite International Diagnostic Interview (CIDI)‐based lifetime depressive and/or anxiety disorder (N = 1973) constitute the study sample. A LTH of SAs was assessed at baseline and at two‐year follow‐up. Of the persons who reported at either interview a LTH of SAs, more than one‐third did not report this consistent at both interviews. Moreover, indications were found for more consistent reporting among persons with a higher number of SAs and among persons with current (severe) psychopathology as compared to those with remitted or less severe current psychopathology. Our results showed that even a salient topic as a history of SAs is prone for reporting errors, and that current psychological state influences reporting of a LTH of SAs. Copyright © 2014 John Wiley & Sons, Ltd.
PROMISE: Parallel‐imaging and compressed‐sensing reconstruction of multicontrast imaging using SharablE information
Authors: Gong Enhao , Huang Feng , Ying Kui , Wu Wenchuan , Wang Shi , Yuan Chun
Published: February 2014

Purpose

A typical clinical MR examination includes multiple scans to acquire images with different contrasts for complementary diagnostic information. The multicontrast scheme requires long scanning time. The combination of partially parallel imaging and compressed sensing (CS‐PPI) has been used to reconstruct accelerated scans. However, there are several unsolved problems in existing methods. The target of this work is to improve existing CS‐PPI methods for multicontrast imaging, especially for two‐dimensional imaging.

Theory and Methods

If the same field of view is scanned in multicontrast imaging, there is significant amount of sharable information. It is proposed in this study to use manifold sharable information among multicontrast images to enhance CS‐PPI in a sequential way. Coil sensitivity information and structure based adaptive regularization, which were extracted from previously reconstructed images, were applied to enhance the following reconstructions. The proposed method is called Parallel‐imaging and compressed‐sensing Reconstruction Of Multicontrast Imaging using SharablE information (PROMISE).

Results

Using L1‐SPIRiT as a CS‐PPI example, results on multicontrast brain and carotid scans demonstrated that lower error level and better detail preservation can be achieved by exploiting manifold sharable information. Besides, the privilege of PROMISE still exists while there is interscan motion.

Conclusion

Using the sharable information among multicontrast images can enhance CS‐PPI with tolerance to motions. Magn Reson Med 73:523–535, 2015. © 2014 Wiley Periodicals, Inc.
Duration of the pre‐diagnostic interval in medulloblastoma is subgroup dependent
Authors: Ramaswamy Vijay , Remke Marc , Shih David , Wang Xin , Northcott Paul A. , Faria Claudia C. , Raybaud Charles , Tabori Uri , Hawkins Cynthia , Rutka James , Taylor Michael D. , Bouffet Eric
Published: February 2014

Background

Children presenting with medulloblastoma have a wide range of initial presenting symptoms. However, the influence of underlying tumor biology on the initial presentation of medulloblastoma is currently unknown. In light of the recent discovery of distinct medulloblastoma subgroups, we sought to define the initial presentation of childhood medulloblastoma in a subgroup specific manner.

Procedure

We assembled a cohort of 126 medulloblastoma cases at the Hospital for Sick Children between 1994 and 2012 and determined subgroup affiliation using nanoString. Clinical details pertaining to the initial presentation were determined through a retrospective chart review.

Results

The median pre‐diagnostic interval across all medulloblastoma cases was 4 weeks (IQR: 4–12 weeks). Strikingly, when the pre‐diagnostic interval was then determined in a subgroup specific manner, cases with WNT and Group 4 tumors showed significantly longer median pre‐diagnostic intervals of 8 weeks compared to 2 weeks for SHH and 4 weeks for Group 3 (P = 0.0001). Younger age was significantly associated with a prolonged pre‐diagnostic interval (P = 0.02 for all). When stratifying by subgroup the association with age was only significant in Group 4 (P = 0.04 for Group 4). Improved survival was significantly associated with a longer pre‐diagnostic interval (P = 0.02), however is no longer significant when controlling for subgroup (P = 0.07).

Conclusions

The duration of the pre‐diagnostic interval in childhood medulloblastoma is highly subgroup dependent, further highlighting the clinical heterogeneity and biological relevance of the four principle subgroups of medulloblastoma. Pediatr Blood Cancer 2014;61:1190–1194. © 2014 Wiley Periodicals, Inc.