bluuebunny/crossref_metadata_2025 huggingface dataset:
The mechanism of the homogeneous, unimolecular gas‐phase elimination kinetic of 1,1‐dimethoxycyclohexane: experimental and theoretical studies
Authors: Rosas Felix , Domínguez Rosa M. , Tosta María , Mora José R. , Márquez Edgar , Córdova Tania , Chuchani Gabriel
Published: January 2010

The gas‐phase elimination of 1,1‐dimethoxycyclohexane yielded 1‐methoxy‐1‐cyclohexene and methanol. The kinetics were determined in a static system, with the vessels deactivated with allyl bromide, and in the presence of the free radical inhibitor cyclohexene. The working temperature was 310–360 °C and the pressure was 25–85 Torr. The reaction was found to be homogeneous, unimolecular, and follows a first‐order rate law. The temperature dependence of the rate coefficients is given by the following Arrhenius equation: log k(s−1) = [(13.82 ± 0.07) – (193.9 ± 1.0)(kJ mol−1)](2.303RT)−1; r = 0.9995. Theoretical calculations were carried out using density functional theory (DFT) functionals B3LYP, MPW1PW91, and PBE with the basis set 6‐31G(d,p) and 6‐31G++(d,p). The calculated values for the energy of activation and enthalpy of activation are in reasonably good agreement with the experimental values using the PBE/6‐31G (d,p) level of theory. Both experimental results and theoretical calculations suggest a molecular mechanism involving a concerted polar four‐membered cyclic transition state. The transition state structure of methanol elimination from 1,1‐dimethoxycyclohexane is characterized by a significantly elongated CO bond, while the CβH bond is stretched to a smaller extent, as compared to the reactant. The process can be described as moderately asynchronic with some charge separation in the TS. Copyright © 2010 John Wiley & Sons, Ltd.
Enantio‐differentiating reactions of a racemic γ‐lactone enolate with chiral esters. A DFT investigation
Authors: Moraleda Delphine , Santelli Maurice
Published: January 2010

The acylation of lithium (±)‐spiro‐γ‐lactone enolate 5 by the O‐protected methyl (−)‐(S)‐lactate or the O‐protected methyl (+)‐(S)‐mandelate occurs through enantio‐differentiating reactions. The (S,S)‐enolate 5 is the most reactive with the lactate whereas the (R,R)‐enolate 5 selectively reacts with the mandelate. According to theoretical calculations at the B3LYP/6‐31G(++)(d,p) level of theory of 40 intermediates of this Claisen condensation, the experimental results are compatible with a previous chelation of the ester by an auxiliary cation lithium arising from the medium. The addition reaction occurs through a chelation process mediated by the counterion of the enolate. More stable tetrahedral intermediates including two lithium cations result from an antiperiplanar transition state. These results clearly demonstrate that the presence of a second lithium cation (the first lithium cation is solvated by di‐isopropylamine and the second one is solvated by a THF molecule or a di‐isopropylamide anion) stabilizes the tetrahedral intermediate and is compatible with an antiperiplanar transition state according to the Felkin–Anh model. Copyright © 2010 John Wiley & Sons, Ltd.
Self‐assembly of daisy chain oligomers from heteroditopic molecules containing secondary ammonium ion and crown ether moieties
Authors: Gibson Harry W. , Yamaguchi Nori , Niu Zhenbin , Jones Jason W. , Slebodnick Carla , Rheingold Arnold L. , Zakharov Lev N.
Published: January 2010

MALDI‐TOF MS of the heteroditopic compound 2‐(benzylammoniomethyl)dibenzo‐24‐crown‐8 hexafluorophosphate (4) revealed oligomeric “daisy chain” species up to the hexamer. Similar results were obtained for 2‐(6′‐hydroxyhexylammoniomethyl)dibenzo‐24‐crown‐8 hexafluorophosphate (8). The complexations of two substituted dibenzylammonium salts, 2,2′‐dimethyldibenzylammonium hexaflurophosphate (9a) and 2,2′,5‐trimethoxydibenzylammonium hexafluorophosphate (9b), with dibenzo‐24‐crown‐8 were examined as models for slippage systems; association constants are reported for these systems. A crystal structure is reported for the new dimethylbenzylammonoium pseudorotaxane. The trimethoxy analog is shown to be capable of slippage formation of a rotaxane, albeit in low yield. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 48: 975–985, 2010
Is GRP78/BiP a potential salivary biomarker in patients with rheumatoid arthritis?
Authors: Giusti Laura , Baldini Chiara , Ciregia Federica , Giannaccini Gino , Giacomelli Camillo , De Feo Francesca , Delle Sedie Andrea , Riente Lucrezia , Lucacchini Antonio , Bazzichi Laura , Bombardieri Stefano
Published: January 2010

Purpose: In the last few years, serum and joint synovial fluid have been extensively analyzed for the proteomic research of rheumatoid arthritis (RA) biomarkers. Nonetheless, to date, there have been no studies investigating salivary biomarkers in this condition. Therefore, aim of this study is to investigate the presence of potential biomarkers of RA in human whole saliva.

Experimental design: We combined 2‐DE and MS to analyze the whole saliva protein profile of 20 RA patients in comparison with 20 sex‐ and age‐matched healthy subjects.

Results: Eight salivary proteins resulted differentially expressed, namely calgranulin A, calgranulin B, apolipoprotein A‐1, 6‐phosphogluconate dehydrogenase, peroxiredoxin 5, epidermal fatty acid‐binding protein, 78 kDa glucose‐regulated protein precursor (GRP78/BiP), and 14‐3‐3 proteins. It is particularly interesting that chaperone GRP78/BiP showed the greatest increase in RA patients. This finding was validated by Western Blot analysis and the over‐expression of GRP78/BiP appear to be distinctive of RA and drugs treatment independent.

Conclusions and clinical relevance: This study provides a rationale for further studies aimed at evaluating any correlation between GRP78/BiP and different clinical/serological aspects of the disease in order to improve the diagnostic algorithms of RA.
Proteomic profile of differentially expressed plasma proteins from dystrophic mice and following suberoylanilide hydroxamic acid treatment
Authors: Colussi C. , Banfi C. , Brioschi M. , Tremoli E. , Straino S. , Spallotta F. , Mai Antonello , Rotili Dante , Capogrossi M. C. , Gaetano Carlo
Published: January 2010

Purpose: Histone Deacetylase Inhibitors (DI) ameliorates dystrophic muscle regeneration restoring muscular strength in the mdx mouse model of Duchenne muscular dystrophy (DMD). The further development of these compounds as drugs for DMD treatment is currently hampered by the lack of knowledge about DIs effect in large dystrophic animal models and that of suitable biomarkers to monitor their efficacy.

Experimental design: In this study we applied proteomic analysis to identify differentially expressed proteins present in plasma samples from mdx mice treated with the Suberoylanilide hydroxamic acid (SAHA) and relative normal controls (WT).

Results: Several differentially expressed proteins were identified between untreated wild type and mdx mice. Among these, fibrinogen, epidermal growth factor 2 receptor, major urinary protein and glutathione peroxidase 3 (GPX3) were constitutively up‐regulated in mdx, while complement C3, complement C6, gelsolin, leukaemia inhibitory factor receptor (LIFr), and alpha 2 macroglobulin were down‐regulated compared to WT mice. SAHA determined the normalization of LIFr and GPX3 protein level while apoliprotein E was de novo up‐regulated in comparison to vehicle‐treated mdx mice.

Conclusions and clinical relevance: Collectively, these data unravel potential serological disease biomarkers of mdx that could be useful to monitor muscular dystrophy response to DI treatment.
De novo structure generation using chemical shifts for proteins with high‐sequence identity but different folds
Authors: Shen Yang , Bryan Philip N. , He Yanan , Orban John , Baker David , Bax Ad
Published: January 2010

Proteins with high‐sequence identity but very different folds present a special challenge to sequence‐based protein structure prediction methods. In particular, a 56‐residue three‐helical bundle protein (GA95) and an α/β‐fold protein (GB95), which share 95% sequence identity, were targets in the CASP‐8 structure prediction contest. With only 12 out of 300 submitted server‐CASP8 models for GA95 exhibiting the correct fold, this protein proved particularly challenging despite its small size. Here, we demonstrate that the information contained in NMR chemical shifts can readily be exploited by the CS‐Rosetta structure prediction program and yields adequate convergence, even when input chemical shifts are limited to just amide 1HN and 15N or 1HN and 1Hα values.
Comprehensive modeling and functional analysis of Toll‐like receptor ligand‐recognition domains
Authors: Kubarenko Andriy V. , Ranjan Satish , Colak Elif , George Julie , Frank Martin , Weber Alexander N.R.
Published: January 2010

Toll‐like receptors (TLRs) are innate immune pattern‐recognition receptors endowed with the capacity to detect microbial pathogens based on pathogen‐associated molecular patterns. The understanding of the molecular principles of ligand recognition by TLRs has been greatly accelerated by recent structural information, in particular the crystal structures of leucine‐rich repeat‐containing ectodomains of TLR2, 3, and 4 in complex with their cognate ligands. Unfortunately, for other family members such as TLR7, 8, and 9, no experimental structural information is currently available. Methods such as X‐ray crystallography or nuclear magnetic resonance are not applicable to all proteins. Homology modeling in combination with molecular dynamics may provide a straightforward yet powerful alternative to obtain structural information in the absence of experimental (structural) data, provided that the generated three‐dimensional models adequately approximate what is found in nature. Here, we report the development of modeling procedures tailored to the structural analysis of the extracellular domains of TLRs. We comprehensively compared secondary structure, torsion angles, accessibility for glycosylation, surface charge, and solvent accessibility between published crystal structures and independently built TLR2, 3, and 4 homology models. Finding that models and crystal structures were in good agreement, we extended our modeling approach to the remaining members of the TLR family from human and mouse, including TLR7, 8, and 9.
Identification of a novel set of scaffolding residues that are instrumental for the inhibitory property of Kunitz (STI) inhibitors
Authors: Khamrui Susmita , Majumder Sudip , Dasgupta Jhimli , Dattagupta Jiban K , Sen Udayaditya
Published: January 2010

For canonical serine protease inhibitors (SPIs), scaffolding spacer residue Asn or Arg religates cleaved scissile peptide bond to offer efficient inhibition. However, several designed “mini‐proteins,” containing the inhibitory loop and the spacer(s) with trimmed scaffold behave like substrates, indicating that scaffolding region beyond the spacer is also important in the inhibitory process. To understand the loop‐scaffold compatibility, we prepared three chimeric proteins ECIL‐WCIS, ETIL‐WCIS, and STIL‐WCIS, where the inhibitory loop of ECI, ETI, and STI is placed on the scaffold of their homolog WCI. Results show that although ECIL‐WCIS and STIL‐WCIS behave like good inhibitors, ETIL‐WCIS behaves like a substrate. That means a set of loop residues (SRLRSAFI), offering strong trypsin inhibition in ETI, act as a substrate when they seat on the scaffold of WCI. Crystal structure of ETIL‐WCIS shows that the inhibitory loop is of noncanonical conformation. We identified three novel scaffolding residues Trp88, Arg74, and Tyr113 in ETI that act as barrier to confine the inhibitory loop to canonical conformation. Absence of this barrier in the scaffold of WCI makes the inhibitory loop flexible in ETIL‐WCIS leading to a loss of canonical conformation, explaining its substrate‐like behavior. Incorporation of this barrier back in ETIL‐WCIS through mutations increases its inhibitory power, supporting our proposition. Our study provides structural evidence for the contribution of remote scaffolding residues in the inhibitory process of canonical SPIs. Additionally, we rationalize why the loop‐scaffold swapping is not permitted even among the members of highly homologous inhibitors, which might be important in the light of inhibitor design.
Curcumin inhibits human lung large cell carcinoma cancer tumour growth in a murine xenograft model
Authors: Su Chin‐Cheng , Yang Jai‐Sing , Lu Chi‐Cheng , Chiang Jo‐Hua , Wu Chang‐Lin , Lin Jen‐Jyh , Lai Kuang‐Chi , Hsia Te‐Chun , Lu Hsu‐Feng , Fan Ming‐Jen , Chung Jing‐Gung
Published: January 2010

Curcumin can decrease viable cells through the induction of apoptosis in human lung cancer NCI‐H460 cells in vitro. However, there are no reports that curcumin can inhibit cancer cells in vivo. In this study, NCI‐H460 lung tumour cells were implanted directly into nude mice and divided randomly into four groups to be treated with vehicle, curcumin (30 mg/kg of body weight), curcumin (45 mg/kg of body weight) and doxorubicin (8 mg/kg of body weight). Each agent was injected once every 4 days intraperitoneally (i.p.), with treatment starting 4 weeks after inoculation with the NCI‐H460 cells. Treatment with 30 mg/kg and 45 mg/kg of curcumin or with 8 mg/kg of doxorubicin resulted in a reduction in tumour incidence, size and weight compared with the control group. The findings indicate that curcumin can inhibit tumour growth in a NCI‐H460 xenograft animal model in vivo. Copyright © 2010 John Wiley & Sons, Ltd.
Protective effect of bilberry (Vaccinium myrtillus L.) extracts on cultured human corneal limbal epithelial cells (HCLEC)
Authors: Song Juxian , Li Yiqing , Ge Jian , Duan Yongheng , Sze Stephen Cho‐Wing , Tong Yao , Shaw Pang‐Chui , Ng Tzi‐Bun , Tsui Kam Chuen , Zhuo Yehong , Zhang Kalin Yanbo
Published: January 2010

The use of bilberry (Vaccinium myrtillus L.) as a food and medicine for improving human vision has a long history all over the world. However, there is lack of convincing evidence from rigorous clinical trials or scientific research. This study investigated the effects of different concentrations of bilberry extracts on the cell viability, cell cycle and the expression of hyaluronic acid and glycosaminoglycans of cultured human corneal limbal epithelial cells. The data showed that bilberry extracts had no cytotoxicity to the corneal limbal epithelial cells at a wide range of concentrations (10−9–10−4 M, equalized to the content of cyanidin‐3‐O‐glucoside). Bilberry extract (10−6, 10−5 and 10−4 M) increased cell viability after 48 h incubation. The number of cells decreased in G0/G1 phase and increased prominently in S and G2/M phases after treatment with bilberry extracts at a high concentration (10−4 M). The expression of glycosaminoglycans increased prominently after incubation with bilberry extracts (10−7 and 10−4 M) for 48 h while no significant changes were observed for the expression of hyaluronic acid. The results indicated that bilberry extract may be beneficial for the physiological renewal and homeostasis of corneal epithelial cells. Copyright © 2010 John Wiley & Sons, Ltd.
Antimethicillin‐resistant Staphylococcus aureus (MRSA) activity of ‘pacific propolis’ and isolated prenylflavanones
Authors: Raghukumar Raghavendra , Vali Leila , Watson Dave , Fearnley James , Seidel Véronique
Published: January 2010

The need to discover and develop alternative therapies to treat methicillin‐resistant Staphylococcus aureus (MRSA) infections is timely. This study was undertaken to purify and identify some anti‐MRSA constituents from propolis, a natural product from the beehive traditionally used in folk medicine for its antimicrobial properties. A crude extract of propolis originating from the Solomon Islands (‘Pacific propolis’) was screened, using an agar dilution assay, in vitro against 15 MRSA clinical isolates. Results revealed activity worthy of further investigation, and subsequent purification work on this crude extract afforded 23 fractions. Further purification of active fractions led to the isolation of compounds 1–4, characterized upon analysis of their spectroscopic data (1D‐ and 2D‐NMR, MS) and by comparison with the literature, as the prenylflavanones propolin H (1), propolin G (2), propolin D (3), and propolin C (4). This study is the first to report the anti‐MRSA activity of ‘Pacific propolis’ and the presence of prenylflavanones in the propolis sample selected. The anti‐MRSA activity of propolin D (3) (MIC 8–16 mg/L) and propolin C (4) (MIC 8–32 mg/L) is reported for the first time. Copyright © 2010 John Wiley & Sons, Ltd.
Quantitative aspects of analyzing small molecules – monitoring singly or doubly charged ions? A case study of ximelagatran
Authors: Allard Erik , Tröger Rikard Åslund , Arvidsson Björn , Sjöberg Per Johan Ragnar
Published: January 2010

Precision, reproducibility and lower limit of quantitation (LLOQ) are important characteristics of a quantitative method. We have investigated these properties for Ximelagatran (Xi), which has a high tendency to form doubly charged ions in electrospray ionization (ESI), by studying the percentage of doubly charged species formed when varying the formic acid (FA) concentration, analyte concentration, amount of organic modifier and flow rate. It was found that the percentage of [Xi + 2H]2+ can be controlled to be more than 90% or less than 10% by varying the amount of FA present, and that the change between these values is dramatic. Furthermore, the percentage of [Xi + 2H]2+ formed decreases with increased analyte concentration and increased flow rate. No apparent relationship with the amount of organic modifier was found. The results have the implication that, by carefully controlling the selected parameters, the LLOQ, precision and reproducibility can be improved. We have compared the fragmentation of the singly and doubly charged species and concluded that the [Xi + 2H]2+ ion is more inclined to undergo fragmentation than [Xi + H]+. As a consequence, unusual instrumental settings had to be used for the experiments. The fragmentation patterns are to a great extent similar, but the doubly charged species is more inclined to generate low‐mass product ions. Copyright © 2010 John Wiley & Sons, Ltd.
Fast and automated characterization of major constituents in rat biofluid after oral administration ofAbelmoschus manihotextract using ultra‐performance liquid chromatography/quadrupole time‐of‐flight mass spectrometry and MetaboLynx
Authors: Guo Jianming , Shang Er‐xin , Duan Jin‐ao , Tang Yuping , Qian Dawei , Su Shulan
Published: January 2010

In drug metabolism research, the setting up of a complex series of mass spectrometry experiments and the subsequent analysis of the large amounts of data produced are often time‐consuming. In this paper, we describe a strategy using ultra‐performance liquid chromatography/quadrupole time‐of‐flight mass spectrometry (UPLC/QTOFMS) with automated data analysis software (MetaboLynx™) for fast analysis of the metabolic profile of flavonoids inAbelmoschus manihot. Rat plasma and urine samples collected 1 h and 0–12 h after oral administration ofAbelmoschus manihotwere analyzed by UPLC/QTOFMS within 15 min. The post‐acquisition data were processed using MetaboLynx. With key parameters carefully set, MetaboLynx is able to show the presence of a wide range of metabolites with only a limited requirement for manual intervention and data interpretation time. A total of 16 and 38 metabolites were identified in plasma and urine compared with blank samples. The results indicated that methylation and glucuronidation after deglycosylation were the major metabolic pathways of flavonoid glycosides inAbelmoschus manihot. The present study provided important information about the metabolism of flavonoid glycosides inAbelmoschus manihotwhich will be helpful for fully understanding the mechanism of action of this herb. Furthermore, this work demonstrated the potential of the UPLC/QTOFMS approach using MetaboLynx for fast and automated identification of metabolites from Chinese herbal medicines. Copyright © 2010 John Wiley & Sons, Ltd.
Empirical approach to false discovery rate estimation in shotgun proteomics
Authors: Goloborodko Anton A. , Mayerhofer Corina , Zubarev Alexander R. , Tarasova Irina A. , Gorshkov Alexander V. , Zubarev Roman A. , Gorshkov Mikhail V.
Published: January 2010

Estimation of false discovery rate (FDR) for identified peptides is an important step in large‐scale proteomic studies. We introduced an empirical approach to the problem that is based on the FDR‐like functions of sets of peptide spectral matches (PSMs). These functions have close values for equal‐sized sets with the same FDR and depend monotonically on the FDR of a set. We have found three of them, based on three complementary sources of data: chromatography, mass spectrometry, and sequences of identified peptides. Using a calibration on a set of putative correct PSMs these functions were converted into the FDR scale. The approach was tested on a set of ∼2800 PSMs obtained from rat kidney tissue. The estimates based on all three data sources were rather consistent with each other as well as with one made using the target‐decoy strategy. Copyright © 2010 John Wiley & Sons, Ltd.
Differences in river ecological functions due to rapid channel alteration processes in two California rivers using the functional flows model, part 2—model applications
Authors: Escobar‐Arias M. I. , Pasternack G. B.
Published: January 2010

This study applies the functional flows model (FFM) that integrates hydrogeomorphic processes and ecological functions to assess physical habitat. Functional flows are discharge values that serve ecological uses. The model was adjusted to evaluate gravel‐bed riffle functionality for fall‐run Chinook salmon with respect to river rehabilitation on the Mokelumne River and flood‐induced channel change on the Yuba River. The goal was to test if differences in ecological performance were traceable to differences in hydrogeomorphic conditions. Ecological functions studied were bed occupation (spawning, incubation and emergence) and bed preparation (river bed reworking periods)‐ both reliant on shear stress dynamics. Model outputs included number of days that have functional flows, ranges of functional flows that provide favourable sediment transport stages and the efficiency of a site to produce functional flows. Statistical significance of results was tested using non‐parametric tests. Functional flows analyses before and after geomorphic alteration indicate that river rehabilitation on the lower Mokelume River increased the number of days with functional flows, while the Yuba River May 2005 flood increased the functional ranges of flows for the test sites. Reach‐scale analyses indicated similar ecological performance at reference sites in both rivers. A comparison between both rivers showed that despite a greater geomorphic potential of the Mokelumne River sites to have functional flows, Yuba River sites actually experienced better ecological performance for fall‐run Chinook salmon freshwater life stages due to greater flow availability. The FFM provided an objective tool to assess changes in ecological functionality at hydrogeomorphically dynamic sites. Copyright © 2010 John Wiley & Sons, Ltd.
Real‐time support for HCCA function in IEEE 802.11e networks: a performance evaluation
Authors: Cecchetti Gabriele , Ruscelli Anna Lina
Published: January 2010

The IEEE 802.11 standard for wireless networks has been recently enhanced with the IEEE 802.11e amendment which introduces Quality of Service support. It provides differentiation mechanisms at the Medium Access Control layer, using two additional access functions: the Enhanced Distributed Channel Access (EDCA) function and the HCF Controlled Channel Access (HCCA) function. Only the HCCA mechanism is suitable for serving traffic streams with real‐time requirements such as multimedia applications and Voice Over IP. The IEEE 802.11e standard does not specify a mandatory HCCA scheduling algorithm, but it offers a reference scheduler as the guideline in the resources scheduling design.

In this paper we analyze four HCCA alternative schedulers to the reference one. They offer real‐time guarantees proposing different solutions to the request of QoS and real‐time support expressed by the increasing diffusion of multimedia applications. A performance evaluation is conducted to show the main differences between the considered schedulers, including the reference one.

The results show that under several scenarios there is not a unique best scheduler, but there exists a variety of solutions depending on the specified requirements. The conclusions of the paper offer some guidelines in the choice of the scheduler tailored for a particular scenario of interest. Copyright © 2010 John Wiley & Sons, Ltd.
Polyvalent Display and Packing of Peptides and Proteins on Semiconductor Quantum Dots: Predicted Versus Experimental Results
Authors: Prasuhn Duane E. , Deschamps Jeffrey R. , Susumu Kimihiro , Stewart Michael H. , Boeneman Kelly , Blanco‐Canosa Juan B. , Dawson Philip E. , Medintz Igor L.
Published: January 2010

Quantum dots (QDs) are loaded with a series of peptides and proteins of increasing size, including a <20 residue peptide, myoglobin, mCherry, and maltose binding protein, which together cover a range of masses from <2.2 to ≈44 kDa. Conjugation to the surface of dihydrolipoic acid‐functionalized QDs is facilitated by polyhistidine metal affinity coordination. Increasing ratios of dye‐labeled peptides and proteins are self‐assembled to the QDs and then the bioconjugates are separated and analyzed using agarose gel electrophoresis. Fluorescent visualization of both conjugated and unbound species allows determination of an experimentally derived maximum loading number. Molecular modeling utilizing crystallographic coordinates or space‐filling structures of the peptides and proteins also allow the predicted maximum loadings to the QDs to be estimated. Comparison of the two sets of results provides insight into the nature of the QD surface and reflects the important role played by the nanoparticle's hydrophilic solubilizing surface ligands. It is found that for the larger protein molecules steric hindrance is the major packing constraint. In contrast, for the smaller peptides, the number of available QD binding sites is the principal determinant. These results can contribute towards an overall understanding of how to engineer designer bioconjugates for both QDs and other nanoparticle materials.
A survey of the research on power management techniques for high‐performance systems
Authors: Liu Yongpeng , Zhu Hong
Published: January 2010

This paper surveys the research on power management techniques for high‐performance systems. These include both commercial high‐performance clusters and scientific high‐performance computing (HPC) systems. Power consumption has rapidly risen to an intolerable scale. This results in both high operating costs and high failure rates so it is now a major cause for concern. It has imposed new challenges to the development of high‐performance systems. In this paper, we first review the basic mechanisms that underlie power management techniques. Then we survey two fundamental techniques for power management: metrics and profiling. After that, we review the research for the two major types of high‐performance systems: commercial clusters and supercomputers. Based on this, we discuss the new opportunities and problems presented by the recent adoption of virtualization techniques, and again we present the most recent research on this. Finally, we summarize and discuss the future research directions. Copyright © 2010 John Wiley & Sons, Ltd.
Nitric Oxide Determines Mesodermic Differentiation of Mouse Embryonic Stem Cells by Activating Class IIa Histone Deacetylases: Potential Therapeutic Implications in a Mouse Model of Hindlimb Ischemia
Authors: Spallotta Francesco , Rosati Jessica , Straino Stefania , Nanni Simona , Grasselli Annalisa , Ambrosino Valeria , Rotili Dante , Valente Sergio , Farsetti Antonella , Mai Antonello , Capogrossi Maurizio C. , Gaetano Carlo , Illi Barbara
Published: January 2010

In human endothelial cells, nitric oxide (NO) results in class IIa histone deacetylases (HDACs) activation and marked histone deacetylation. It is unknown whether similar epigenetic events occur in embryonic stem cells (ESC) exposed to NO and how this treatment could influence ESC therapeutic potential during tissue regeneration.

This study reports that the NO-dependent class IIa HDACs subcellular localization and activity decreases the global acetylation level of H3 histones in ESC and that this phenomenon is associated with the inhibition of Oct4, Nanog, and KLF4 expression. Further, a NO-induced formation of macromolecular complexes including HDAC3, 4, 7, and protein phosphatase 2A (PP2A) have been detected. These processes correlated with the expression of the mesodermal-specific protein brachyury (Bry) and the appearance of several vascular and skeletal muscle differentiation markers. These events were abolished by the class IIa-specific inhibitor MC1568 and by HDAC4 or HDAC7 short interfering RNA (siRNA). The ability of NO to induce mesodermic/cardiovascular gene expression prompted us to evaluate the regenerative potential of these cells in a mouse model of hindlimb ischemia. We found that NO-treated ESCs injected into the cardiac left ventricle selectively localized in the ischemic hindlimb and contributed to the regeneration of muscular and vascular structures. These findings establish a key role for NO and class IIa HDACs modulation in ESC mesodermal commitment and enhanced regenerative potential in vivo. STEM CELLS 2010;28:431–442
Reactive Oxygen Species Inhibit Adhesion of Mesenchymal Stem Cells Implanted into Ischemic Myocardium via Interference of Focal Adhesion Complex
Authors: Song Heesang , Cha Min-Ji , Song Byeong-Wook , Kim Il-Kwon , Chang Woochul , Lim Soyeon , Choi Eun Ju , Ham Onju , Lee Se-Yeon , Chung Namsik , Jang Yangsoo , Hwang Ki-Chul
Published: January 2010

The integrity of transplanted mesenchymal stem cells (MSCs) for cardiac regeneration is dependent on cell–cell or cell–matrix adhesion, which is inhibited by reactive oxygen species (ROS) generated in ischemic surroundings after myocardial infarction. Intracellular ROS play a key role in the regulation of cell adhesion, migration, and proliferation. This study was designed to investigate the role of ROS on MSC adhesion. In H2O2 treated MSCs, adhesion and spreading were inhibited and detachment was increased in a dose-dependent manner, and these effects were significantly rescued by co-treatment with the free radical scavenger, N-acetyl-L-cysteine (NAC, 1 mM). A similar pattern was observed on plates coated with different matrices such as fibronectin and cardiogel. Hydrogen peroxide treatment resulted in a marked decrease in the level of focal adhesion-related molecules, such as phospho-FAK and p-Src in MSCs. We also observed a significant decrease in the integrin-related adhesion molecules, αV and β1, in H2O2 treated MSCs. When injected into infarcted hearts, the adhesion of MSCs co-injected with NAC to the border region was significantly improved. Consequently, we observed that fibrosis and infarct size were reduced in MSC and NAC-injected rat hearts compared to in MSC-only injected hearts. These results indicate that ROS inhibit cellular adhesion of engrafted MSCs and provide evidence that the elimination of ROS might be a novel strategy for improving the survival of engrafted MSCs.
Human Induced Pluripotent Stem Cell Lines Show Stress Defense Mechanisms and Mitochondrial Regulation Similar to Those of Human Embryonic Stem Cells
Authors: Armstrong Lyle , Tilgner Katarzyna , Saretzki Gabriele , Atkinson Stuart P. , Stojkovic Miodrag , Moreno Ruben , Przyborski Stefan , Lako Majlinda
Published: January 2010

The generation of induced pluripotent stem cells (iPSC) has enormous potential for the development of patient-specific regenerative medicine. Human embryonic stem cells (hESC) are able to defend their genomic integrity by maintaining low levels of reactive oxygen species (ROS) through a combination of enhanced removal capacity and limited production of these molecules. Such limited ROS production stems partly from the small number of mitochondria present in hESC; thus, it was important to determine that human iPSC (hiPSC) generation is able to eliminate the extra mitochondria present in the parental fibroblasts (reminiscent of “bottleneck” situation after fertilization) and to show that hiPSC have antioxidant defenses similar to hESC. We were able to generate seven hiPSC lines from adult human dermal fibroblasts and have fully characterized two of those clones. Both hiPSC clones express pluripotency markers and are able to differentiate in vitro into cells belonging to all three germ layers. One of these clones is able to produce fully differentiated teratoma, whereas the other hiPSC clone is unable to silence the viral expression of OCT4 and c-MYC, produce fully differentiated teratoma, and unable to downregulate the expression of some of the pluripotency genes during the differentiation process. In spite of these differences, both clones show ROS stress defense mechanisms and mitochondrial biogenesis similar to hESC. Together our data suggest that, during the reprogramming process, certain cellular mechanisms are in place to ensure that hiPSC are provided with the same defense mechanisms against accumulation of ROS as the hESC.
The role of reactive oxygen species in the induction of Ty1 retrotransposition in Saccharomyces cerevisiae
Authors: Stoycheva Teodora , Pesheva Margarita , Venkov Pencho
Published: January 2010

Here we provide evidence for a dependence between the increased production of reactive oxygen species and the activation of Ty1 retrotransposition. We have found that the strong activator of Ty1 mobility, methylmethane sulphonate, can not induce Ty1 retrotransposition in cells with compromised mitochondrial oxidative phosphorylation (rho−; sco1Δ), which is the major source for production of reactive oxygen species (ROS) in Saccharomyces cerevisiae. The quantitative estimation of superoxide anions in living cells showed that rho+ cells exposed to methylmethane sulphonate increase Ty1 retrotransposition and superoxide levels. The increase of superoxide anions by the superoxide generator menadione is accompanied by induction of Ty1 mobility without any treatment with a DNA‐damaging agent. Higher frequencies of retrotransposition were found in rho+ and rho− cells treated with exogenously added hydrogen peroxide or in cells with disrupted YAP1 gene characterized by increased intracellular levels of hydrogen peroxide. These data indicate that increased levels of ROS may have an independent and key role in the induction of Ty1 retrotransposition. Copyright © 2010 John Wiley & Sons, Ltd.
Ultrasonographic monitoring of fetal development in unrestrained bonobos (Pan paniscus) at the Milwaukee County Zoo
Authors: Drews Barbara , Harmann Leanne M. , Beehler Leann L. , Bell Barbara , Drews Reinhard F. , Hildebrandt Thomas B.
Published: January 2010

The bonobo, Pan paniscus, is one of the most endangered primate species. In the context of the Bonobo Species Survival Plan®, the Milwaukee County Zoo established a successful breeding group. Although the bonobo serves as a model species for human evolution, no prenatal growth curves are available. To develop growth graphs, the animals at the Milwaukee County Zoo were trained by positive reinforcement to allow for ultrasound exams without restraint. With this method, the well being of mother and fetus were maintained and ultrasound exams could be performed frequently. The ovulation date of the four animals in the study was determined exactly so that gestational age was known for each examination. Measurements of biparietal diameter (BPD), head circumference (HC), abdominal circumference (AC), and femur length (FL) were used to create growth curves. Prenatal growth of P. paniscus was compared with the data of humans and the common chimpanzee, P. troglodytes. With respect to cranial structures, such as BPD and HC, humans have significant acceleration of growth compared with P. paniscus and P. troglodytes. In P. paniscus, growth of AC was similar to HC throughout pregnancy, whereas in humans AC only reaches the level of HC close to term. Growth rate of FL was similar in humans and the two Pan species until near day 180 post‐ovulation. After that, the Pan species FL growth slowed compared with human FL. The newly developed fetal growth curves of P. paniscus will assist in monitoring prenatal development and predicting birth dates of this highly endangered species. Zoo Biol 30:241–253, 2011. © 2010 Wiley‐Liss, Inc.
Making Daddies into Fathers: Community‐based Fatherhood Programs and the Construction of Masculinities for Low‐income African American Men
Authors: Roy Kevin M. , Dyson Omari
Published: January 2010

In this analysis, we explore how low‐income African American fathers build understandings of successful manhood in the context of community‐based responsible fatherhood programs. Drawing on life history interviews with 75 men in Illinois and Indiana, we explore men's attempts to fulfill normative expectations of fatherhood while living in communities with limited resources. We examine the efforts of community‐based fatherhood programs to shape alternative African American masculinities through facilitation of personal turning points and “breaks with the past,” use of social support and institutional interventions, and the reframing of provision as a priority of successful fatherhood. We refer to Connell's hegemonic masculinity framework (Connell in Masculinities, Polity Press, Cambridge, 1995) and discuss how both men and programs borrow from hegemonic and street masculinities to develop alternative approaches to paternal involvement for marginalized men.
Social‐Ecological Influences on Patterns of Substance Use Among Non‐Metropolitan High School Students
Authors: Connell Christian M. , Gilreath Tamika D. , Aklin Will M. , Brex Robert A.
Published: January 2010

Patterns of substance use are examined in a sample of over 1,200 youth in a non‐metropolitan region of New England. Self‐reported history and frequency of alcohol, tobacco, marijuana, inhalants, pain medications, and other hard drug use was assessed for 9th and 10th grade students. Latent class analyses identified four patterns of substance use: non‐users (22%), alcohol experimenters (38%), occasional polysubstance users (29%), and frequent polysubstance users (10%). Contextual risk and protective factors in the individual, family, peer, and community domains predicted substance use patterns. Youth report of peer substance use had the largest effects on substance use class membership. Other individual characteristics (e.g., gender, antisocial behavior, academic performance, perceived harm from use), family characteristics (e.g., parental drinking, parental disapproval of youth use), and community characteristics (e.g., availability of substances) demonstrated consistent effects on substance use classes. Implications for prevention are discussed from a social‐ecological perspective.
Chronic pain following donor nephrectomy – A study of the incidence, nature and impact of chronic post‐nephrectomy pain
Authors: Owen Margaret , Lorgelly Paula , Serpell Mick
Published: January 2010

Chronic pain is a consequence of some types of surgery, but its incidence following open donor nephrectomy has never been investigated. We surveyed 123 patients who underwent open donor nephrectomy at our institution over a 10‐year period, to determine the incidence, severity and nature of chronic pain and its effect on quality of life. Of the 81 (66%) responders, 27 (33%) had experienced prolonged pain, and 21 (26%) still had chronic pain related to their surgery. The overall incidence of severe, disabling pain (visual analogue score ≥7) was 12% and of neuropathic pain was 14%. The average loss in quality adjusted life years (QALYs) was 1.053 for chronic pain sufferers, but was 1.851 for those who suffered specifically from neuropathic pain. Only one third of patients with chronic pain were receiving any treatment, and none were receiving neuropathic adjuvants or specialist pain management interventions. We conclude that the incidence of chronic pain following donor nephrectomy is underestimated and therefore under managed. Given the voluntary and altruistic nature of this procedure, and the enormous personal and social benefits which result from successful donor transplantation, those involved with the preparation and post‐operative management should be more aware of, and actively question donors about chronic pain so that diagnosis and appropriate therapy can be commenced as early as possible.
A REMARK ON PARTIAL SUMS INVOLVING THE MÖBIUS FUNCTION
Authors: TAO TERENCE
Published: January 2010

Let 〈𝒫〉⊂N be a multiplicative subsemigroup of the natural numbers N={1,2,3,…} generated by an arbitrary set 𝒫 of primes (finite or infinite). We give an elementary proof that the partial sums ∑ n∈〈𝒫〉:n≤x(μ(n))/n are bounded in magnitude by 1. With the aid of the prime number theorem, we also show that these sums converge to ∏ p∈𝒫(1−(1/p)) (the case where 𝒫 is all the primes is a well-known observation of Landau). Interestingly, this convergence holds even in the presence of nontrivial zeros and poles of the associated zeta function ζ𝒫(s)≔∏ p∈𝒫(1−(1/ps))−1 on the line {Re(s)=1}. As equivalent forms of the first inequality, we have ∣∑ n≤x:(n,P)=1(μ(n))/n∣≤1, ∣∑ n∣N:n≤x(μ(n))/n∣≤1, and ∣∑ n≤x(μ(mn))/n∣≤1 for all m,x,N,P≥1.
CLOSED FORM FORMULA FOR THE NUMBER OF RESTRICTED COMPOSITIONS
Authors: JAKLIČ GAŠPER , VITRIH VITO , ŽAGAR EMIL
Published: January 2010

In this paper, compositions of a natural number are studied. The number of restricted compositions is given in a closed form, and some applications are presented.
SIMPLE PROOFS FOR UNIVERSAL BINARY HERMITIAN LATTICES
Authors: PARK POO-SUNG
Published: January 2010

If a positive definite Hermitian lattice represents all positive integers, we call it universal. Several mathematicians, including the author, have between them found 25 universal binary Hermitian lattices. But their ad hoc proofs are complicated. We give simple and unified proofs of universality.
NEIGHBOURHOOD AND THE EXISTENCE OF FRACTIONAL k-FACTORS OF GRAPHS
Authors: ZHOU SIZHONG , PU BINGYUAN , XU YANG
Published: January 2010

Let G be a graph, and k a positive integer. Let h:E(G)→[0,1] be a function. If ∑ e∋xh(e)=k holds for each x∈V (G), then we call G[Fh] a fractional k-factor of G with indicator function h where Fh={e∈E(G)∣h(e)>0}. In this paper we use neighbourhoods to obtain a new sufficient condition for a graph to have a fractional k-factor. Furthermore, this result is shown to be best possible in some sense.
A NEW PROOF OF THE AMENABILITY OFC(X)
Authors: ABTAHI MORTAZA , ZHANG YONG
Published: January 2010

In this paper, we present a constructive proof of the amenability ofC(X), whereXis a compact space.
Absorption of red clover isoflavones in human subjects: results from a pilot study
Authors: Maul Ronald , Kulling Sabine E.
Published: January 2010

In addition to soya-derived preparations, red clover-based dietary supplements have gained considerable interest as an alternative isoflavone (IF) source. While metabolism and bioavailability of the main IF from both sources have already been investigated, studies are still lacking on the biokinetic behaviour of IF, which are present in red clover in minor amounts. In the present pilot study, in which seven volunteers ingested a single dose of a commercial red clover dietary supplement, we focused on the absorption of three such IF, irilone (IRI), prunetin (PRUN) and pseudobaptigenin (PBAP). The compounds were measured as aglycones after enzymatic hydrolysis. A single intake of an amount of as low as 3·8 mg IRI (out of 38·8 mg IF in total) resulted in an IRI plasma concentration of 0·35 (sd0·16) μmat 6.5 h post-ingestion. Compared to the plasma concentrations found for daidzein (0·39 μm) and genistein (0·06 μm), expected to be the main IF metabolites in plasma, the present findings indicate that IRI might possess a relatively high bioavailability. Furthermore, PRUN and PBAP were detected in human plasma for the first time.
The Red Cross. Its Relationship in Time and Age
Authors: Owens G.
Published: January 2010

The first, and still the chief, object of the Red Cross is to mitigate the suffering caused by war.

Man, from earliest time, has sought to prevent war if possible, and to mitigate its consequences when it does occur. By the “Truce of God” first recorded in 1027, fighting, then recognised as the occupation of a gentleman, was forbidden under ecclesiastical sanctions, from Thursday morning to Sunday night. This is an approach to the outlawing of war. Still older, dating from the Council of Charroux in 980, was the “Peace of God” which declared inviolable during war, the persons of peasants, merchants, and pilgrims and especially of priests, monks and nuns—on whose care the wounded and sick depended at that time.
The Empress Shôken Fund
Authors: Iconomow M.
Published: January 2010

At a plenary session of the Council of Delegates held on September 9, 1963 on the occasion of the Congress of the International Red Cross in Geneva, Mr. Léopold Boissier, who was presiding, made the announcement that H.I.M. the Empress of Japan proposed making a personal donation to the Shôken Fund. She thus wished to mark the year preceding the fiftieth anniversary of that fund, at the same time as the Centenary of the Red Cross in which she shows a special interest as patron of the National Society of Japan. Her gift, amounting to 3,600,000 yen, representing the equivalent of about 43,000 Sw.frs., is intended to increase the inalienable fund.
Recognition of the Red Cross Society of Madagascar
Authors: Boissier Léopold
Published: January 2010

We have the honour to inform you of the official recognition, on August 26, 1963 of the Red Cross Society of Madagascar by the International Committee of the Red Cross.
Histoire du Comité International de la Croix-Rouge
Authors: Siordet Frédéric
Published: January 2010

I wanted to take up this book, but found difficulty in closing it until I had read it through from cover to cover.
The protection of the wounded and sick and the development of International Medical Law
Authors: Jakovljevic Bosko
Published: January 2010

At the time of its creation in 1863, the Red Cross had as its first objective the protection of the wounded and sick, and the work of ensuring that these victims of armed conflict were given the medical attention they required. To carry out this project National Societies were formed and States signed the Geneva Convention of August 22, 1864.
Recognition of the Nepalese Red Cross Society
Authors: Gonard Samuel A.
Published: January 2010

We have the honour to inform you of the official recognition, on October 1, 1964, of the Nepalese Red Cross Society by the International Committee of the Red Cross.
Red Cross radiocommunications set up by the International Committee
Authors: P. E. B.
Published: January 2010

At the foot of the rocks, worn smooth by the desert winds and burning to the touch, the surgeons of the ICRC field hospital at Uqhd in the Yemen are consulting each other about a wounded case. The X-ray apparatus has just broken down and it will not be possible to operate. How many days will pass before the news reaches Geneva and how many weeks before spare parts are received ?
Central Tracing Agency
Authors: Jaquet E. L. , Schoenholzer J. P.
Published: January 2010

We give below two articles, both concerning the same subject. The
first is a general survey by the Head of the Agency, Mr. E. L. Jaquet.
Readers are aware that the Swiss Government, on the occasion of
the Centenary of the Red Cross, decided to donate to the ICRC a
new building to house the Agency, for, indeed, this service is today
in a building which is not suitable for the protection of irreplaceable
records against the effects of light, fire, humidity and dust.