bluuebunny/crossref_metadata_2025_split huggingface dataset:
Functional ANOVA and regional climate experiments: a statistical analysis of dynamic downscaling
Authors: Sain Stephan R. , Nychka Doug , Mearns Linda 
Published: November 2010

AbstractClimate model experiments incorporating model runs conducted using different conditions have become popular for the study of uncertainty affecting model output and projections of climate change. Recently, such experiments have been used to also study of the uncertainties in producing high‐resolution projections of climate change based on methods for dynamic downscaling of global models. In this paper, we discuss an initial analysis of a subset of the ensemble being produced by the North American Regional Climate Change Assessment Program. Using an approach based on a functional analysis of variance, we examine the differences between two different dynamic downscaling methods and demonstrate that there are significant differences between the two models and their projections of summer temperature and precipitation over North America. Copyright © 2010 John Wiley & Sons, Ltd.
A generic coalescent‐based framework for the selection of a reference panel for imputation
Authors: Paşaniuc Bogdan , Avinery Ram , Gur Tom , Skibola Christine F. , Bracci Paige M. , Halperin Eran 
Published: November 2010

AbstractAn important component in the analysis of genome‐wide association studies involves the imputation of genotypes that have not been measured directly in the studied samples. The imputation procedure uses the linkage disequilibrium (LD) structure in the population to infer the genotype of an unobserved single nucleotide polymorphism. The LD structure is normally learned from a dense genotype map of a reference population that matches the studied population. In many instances there is no reference population that exactly matches the studied population, and a natural question arises as to how to choose the reference population for the imputation. Here we present a Coalescent‐based method that addresses this issue. In contrast to the current paradigm of imputation methods, our method assigns a different reference dataset for each sample in the studied population, and for each region in the genome. This allows the flexibility to account for the diversity within populations, as well as across populations. Furthermore, because our approach treats each region in the genome separately, our method is suitable for the imputation of recently admixed populations. We evaluated our method across a large set of populations and found that our choice of reference data set considerably improves the accuracy of imputation, especially for regions with low LD and for populations without a reference population available as well as for admixed populations such as the Hispanic population. Our method is generic and can potentially be incorporated in any of the available imputation methods as an add‐on. Genet. Epidemiol 34:773‐782, 2010. © 2010 Wiley‐Liss, Inc.
Tectonic structures in the Peel Sandstones and Carboniferous limestone, Isle of Man
Authors: Fitches Bill 
Published: November 2010

AbstractOn the Isle of Man, the Early Devonian Peel Sandstones and Early Carboniferous limestones have been deformed in places by folds, cleavage and other structures. The structures in the Peel Sandstones have been attributed to pre‐lithification deformation associated with slumping of the red beds. Here, they are re‐interpreted to be products of post‐lithification deformation, inferred from small‐scale structures and fabrics, which took place in a localized thrust zone. Compression was approximately NW–SE and translation towards the SE. That deformation may have also produced some of the late structures in the Lower Palaeozoic rocks of the island. The minimum age of these post‐Early Devonian structures is unknown but is probably pre‐Carboniferous: they may represent the mid‐Devonian Acadian deformation.The Carboniferous succession is folded in places and contains stylolites and stylolitic cleavage. A stress regime with E–W to WNW–ESE compression is inferred. These structures have orientations and morphologies shown to resemble those in neighbouring parts of southern Britain, where they are attributed mainly to mid‐ to late‐Carboniferous Variscan events. Alternatively, some or all of them might be products of late Mesozoic and Tertiary tectonics recognized elsewhere in the region. Copyright © 2010 John Wiley & Sons, Ltd.
Dicationic ionic liquids as recyclable catalysts for one‐pot solvent‐free synthesis of α‐aminophosphonates
Authors: Fang Dong , Yang Jinming , Ni Chunjie 
Published: November 2010

AbstractSome task‐specific ionic liquids N,N,N′,N′‐tetramethyl‐N,N′‐dipropanesulfonic acid ethylene‐diammonium hydrogen sulfate, N,N,N′,N′‐tetramethyl‐N,N′‐dipropanesulfonic acid‐1,3‐propanediammonium hydrogen sulfate, N,N,N′,N′‐ tetramethyl‐N,N′‐ dipropanesulfonic acid‐1,6‐hexanediammonium hydrogen sulfate were prepared. These ionic liquids could be used as efficient and recyclable catalysts for the synthesis of α‐aminophosphonates at room temperature via an one‐pot three‐component reaction under organic solvent‐free conditions with good yields of 83–96%. The postprocessing was simple, and the catalysts could be reused at least six times without noticeably decreasing the catalytic activity. The novel clean procedure offers the advantages including short reaction time, good yields, operational simplicity, and environmentally benign. © 2010 Wiley Periodicals, Inc. Heteroatom Chem 22:1–5, 2011; View this article online at wileyonlinelibrary.com. DOI 10.1002/hc.20647
Synthesis, IR/Raman, and quantum‐chemical structural analysis of new octathiotetraphosphetane ammonium salts
Authors: Badeeva Elena K. , Platova Elena V. , Batyeva Elvira S. , Kursheva Lidiya I. , Zvereva Elena E. , Vandyukov Aleksander. E. , Katsyuba Sergey A. , Kovalenko Valeryi I. , Sinyashin Oleg G. 
Published: November 2010

AbstractNew octathiotetraphosphetane ammonium salts are obtained based on the reaction of white phosphorus (P4) and elemental sulfur with aliphatic mercaptans in the presence of amines (morpholine, methylmorpholine, pyrrolidine, and N,N‐dimethylbenzylamine). Both the salts and novel Cu(I) chloride complex with the pyperidinium salt of octathiotetraphosphetane are characterized by IR/Raman spectroscopy in combination with DFT methods. The comparative spectral analysis reveals clear spectral features, characteristic for a P4S84− anion, which are present in IR and Raman spectra of all the compounds obtained. © 2010 Wiley Periodicals, Inc. Heteroatom Chem 22:24–30, 2011; View this article online at wileyonlinelibrary.com. DOI 10.1002/hc.20651
Pd‐, Ni‐, Fe‐, and Co‐Catalyzed Cross‐Couplings Using Functionalized Zn‐, Mg‐, Fe‐, and In‐Organometallics
Authors: Knochel Paul , Thaler Tobias , Diene Coura 
Published: November 2010

AbstractThe development of new methods for preparing polyfunctional organometallics has made a broad range of such reagents available for various transition metal‐catalyzed cross‐couplings. An overview of the most general preparation methods will be presented. Applications to practical cross‐coupling procedures will be covered, emphasizing the functional group compatibility and the reaction scope.
Surface modification of poly(D,L‐lactic‐co‐glycolic acid) nanoparticles with protamine enhanced cross‐presentation of encapsulated ovalbumin by bone marrow‐derived dendritic cells
Authors: Han Ruiling , Zhu Junming , Yang Xiangliang , Xu Huibi 
Published: November 2010

AbstractCross‐presentation is the key process in stimulation of cytotoxic T lymphocyte (CTL) immune response in eliminating many infectious diseases and tumors. Previous studies have shown that surface modification of poly(D,L‐lactic‐co‐glycolic acid) (PLGA) particles with polycations enhanced their adjuvant ability resulting in a strong antibody response to the encapsulated antigen. However, the in vitro cross‐presentation by protamine‐coated PLGA nanoparticles (NPs) has not been addressed yet. In this study, a model antigen ovalbumin (OVA) was encapsulated into PLGA nanoparticles, with (OVA‐NPs/protamine) or without protamine coating (OVA‐NPs). These nanoparticles were then used to stimulate murine bone marrow‐derived dendritic cells (BMDCs). Flow cytometry analysis revealed an increase in endocytosis of protamine‐coated PLGA nanoparticles by BMDCs at 37°C. Compared with OVA‐NPs‐treated BMDCs, stimulation with OVA‐NPs/protamine led to significantly upregulation of CD80, CD86, and CD83, increased secretion of IL‐12p70, and decreased production of IL‐4 by BMDCs. Furthermore, OVA‐NPs/protamine‐treated BMDCs also showed an enhanced cross‐presentation to B3Z T cell hybridoma in vitro. Transmission electron microscopy (TEM) study showed that protamine‐coated PLGA nanoparticles escaped from lysosomes through the interaction with lysosomal membrane. These results demonstrated that protamine‐coated PLGA nanoparticles could enhance the cross‐presentation of encapsulated exogenous antigen by facilitating antigen uptake and lysosomal escape, suggesting the feasibility to be a potent adjuvant for cellular vaccines. © 2010 Wiley Periodicals, Inc. J Biomed Mater Res Part A, 2010.
Suppressed primary osteoblast functions on nanoporous titania surface
Authors: Zhao Lingzhou , Mei Shenglin , Wang Wei , Chu Paul K. , Zhang Yumei , Wu Zhifen 
Published: November 2010

AbstractTitiania nanotubes have large potential in medical implant applications but their tissue compatibility is still controversial. Considering that the biological behavior of primary osteoblasts is closer to thein vivosituation than other common cell lines, we investigate the response of primary osteoblasts on anodized nanotextured titania surfaces. Two nanotextured surface morphologies, namely the 5 V anodized surface with a pore diameter of 25 nm and the 20 V anodized surface with a tube diameter of 80 nm are chosen for this study. Initial cell adhesion is not obviously affected by the anodized surfaces. With the exception of slightly higher intracellular alkaline phosphatase activity and more extracellular matrix deposition, cell growth, and cell differentiation represented by the expressions of osteogenesis‐related genes are impaired on both anodized surfaces. This may be attributed to the compromised focal contact formation on the anodized surfaces. The difference in the phenotypes of the primary osteoblasts and the osteoblastic cell lines may partly account for the controversy in osteoblast cytocompatibility on titania nanotubes. © 2010 Wiley Periodicals, Inc. J Biomed Mater Res Part A, 2010.
Differential monocyte/macrophage interleukin‐1β production due to biomaterial topography requires the β2 integrin signaling pathway
Authors: Collie Angela M. B. , Bota Paige C. S. , Johns Rachel E. , Maier Ronald V. , Stayton Patrick S. 
Published: November 2010

AbstractMonocytes/macrophages are crucial mediators of the host response to biomaterials, and their level of activation can be directly affected by material characteristics. Previous work has demonstrated that primary human monocytes cultured on polytetrafluoroethylene materials of varying topography but identical surface chemistry are differentially affected. Monocytes/macrophages on biaxially‐expanded polytetrafluoroethylene with an average intranodal distance of 4.4 μm (4.4‐ePTFE) produced higher levels of the inflammatory cytokine interleukin‐1 beta (IL‐1β) compared with monocytes/macrophages on nonporous polytetrafluoroethylene (np‐PTFE). The current study provides a mechanistic understanding of this response. Scanning electron microscopy revealed that monocytes/macrophages cultured on np‐PTFE were more spread than those on 4.4‐ePTFE. In addition, the actin cytoskeleton and intact β2 integrin receptors were necessary for IL‐1β production by monocytes/macrophages on 4.4‐ePTFE. This IL‐1β production also required the transcription factor nuclear factor kappa‐B, another component of the β2 integrin signaling pathway, although it may not be the primary transcription factor involved. These studies demonstrate the importance of several β2 integrin signaling components to the monocyte/macrophage response to biomaterial topography. © 2010 Wiley Periodicals, Inc. J Biomed Mater Res Part A, 2010.
Control of magnesium corrosion and biocompatibility with biomimetic coatings
Authors: Keim Sigrid , Brunner Johannes G. , Fabry Ben , Virtanen Sannakaisa 
Published: November 2010

AbstractThe use of magnesium and its alloys as biodegradable metallic implant materials requires that their corrosion behavior can be controlled. We tailored the Mg release kinetics and cell adhesion properties of commercially pure Mg by chemical surface treatments in simulated body fluid, in Dulbecco's Modified Eagle's cell culture medium in the presence or absence of fetal bovine serum (FBS), or in 100% FBS. HeLa cells were cultured for 24 h on these Mg surfaces to characterize their biocompatibility. Cell density on all treated surfaces was significantly increased compared with a polished Mg surface, where almost no cells survived. This low biocompatibility of pure Mg was not caused by the high Mg ion release with concentrations of up to 300 mg/L in the cell culture medium after 24 h, as cells grown on a glass substrate showed no adverse reactions to high Mg ion concentrations. Rather, the most critical factor for cell adhesion was a sufficiently reduced initial dissolution rate of the surface. A comparison among all surface treatments showed that an incubation of the Mg samples in cell culture medium gave the lowest dissolution rate and resulted in the best cell adhesion and spreading behavior. © 2010 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 2011.
Older men with low serum IGF-1 have an increased risk of incident fractures: The MrOS Sweden study
Authors: Ohlsson Claes , Mellström Dan , Carlzon Daniel , Orwoll Eric , Ljunggren Östen , Karlsson Magnus K , Vandenput Liesbeth 
Published: November 2010

Abstract
Osteoporosis-related fractures constitute a major health concern not only in women but also in men. Insulin-like growth factor 1 (IGF-1) is a key determinant of bone mass, but the association between serum IGF-1 and incident fractures in men remains unclear.
To determine the predictive value of serum IGF-1 for fracture risk in men, older men (n = 2902, mean age of 75 years) participating in the prospective, population-based Osteoporotic Fractures in Men (MrOS) Sweden study were followed for a mean of 3.3 years. Serum IGF-1 was measured at baseline by radioimmunoassay. Fractures occurring after the baseline visit were validated. In age-adjusted hazards regression analyses, serum IGF-1 associated inversely with risk of all fractures [hazard ratio (HR) per SD decrease = 1.23, 95% confidence interval (CI) 1.07–1.41], hip fractures (HR per SD decrease = 1.45, 95% CI 1.07–1.97), and clinical vertebral fractures (HR per SD decrease = 1.40, 95% CI 1.10–1-78). The predictive role of serum IGF-1 for fracture risk was unaffected by adjustment for height, weight, prevalent fractures, falls, and major prevalent diseases. Further adjustment for bone mineral density (BMD) resulted in an attenuated but still significant association between serum IGF-1 and fracture risk. Serum IGF-1 below but not above the median was inversely related to fracture incidence. The population-attributable risk proportion was 7.5% for all fractures and 22.9% for hip fractures. Taken together, older men with low serum IGF-1 have an increased fracture risk, especially for the two most important fracture types, hip and vertebral fractures. The association between serum IGF-1 and fracture risk is partly mediated via BMD. © 2011 American Society for Bone and Mineral Research.
Camurati-engelmann disease: Unique variant featuring a novel mutation in TGFβ1 encoding transforming growth factor beta 1 and a missense change in TNFSF11 encoding RANK ligand
Authors: Whyte Michael P , Totty William G , Novack Deborah V , Zhang Xiafang , Wenkert Deborah , Mumm Steven 
Published: November 2010

Abstract
We report a 32-year-old man and his 59-year-old mother with a unique and extensive variant of Camurati-Engelmann disease (CED) featuring histopathological changes of osteomalacia and alterations within TGFβ1 and TNFSF11 encoding TGFβ1 and RANKL, respectively. He suffered leg pain and weakness since childhood and reportedly grew until his late 20s, reaching 7 feet in height. He had deafness, perforated nasal septum, torus palatinus, disproportionately long limbs with knock-knees, low muscle mass, and pseudoclubbing. Radiographs revealed generalized skeletal abnormalities, including wide bones and cortical and trabecular bone thickening in keeping with CED, except that long bone ends were also affected. Lumbar spine and hip BMD Z-scores were + 7.7 and + 4.4, respectively. Biochemical markers of bone turnover were elevated. Hypocalciuria accompanied low serum 25-hydroxyvitamin D (25[OH]D) levels. Pituitary hypogonadism and low serum insulin-like growth factor (IGF)-1 were present. Karyotype was normal. Despite vitamin D repletion, iliac crest histology revealed severe osteomalacia. Exon 1 of TNFRSF11A (RANK), exons 2, 3, and 4 of LRP5, and all coding exons and adjacent mRNA splice junctions of TNFRSF11B (OPG), SQSTM1 (sequestosome 1), and TNSALP (tissue nonspecific alkaline phosphatase) were intact. His asymptomatic and less dysmorphic 5′11″ mother, also with low serum 25(OH)D, had milder clinical, radiological, biochemical, and histopathological findings. Both individuals were heterozygous for a novel 12-bp duplication (c.27_38dup, p.L10_L13dup) in exon 1 of TGFβ1, predicting four additional leucine residues in the latency-associated-peptide segment of TGFβ1, consistent with CED. The son was also homozygous for a single base transversion in TNFSF11, predicting a nonconservative amino acid change (c.107C &gt; G, p.Pro36Arg) in the intracellular domain of RANKL that was heterozygous in his nonconsanguineous parents. This TNFSF11 variant was not found in the SNP Database, nor in published TNFSF11 association studies, but it occurred in four of the 134 TNFSF11 alleles (3.0%) we tested randomly among individuals without CED. Perhaps the unique phenotype of this CED family is conditioned by altered RANKL activity. © 2011 American Society for Bone and Mineral Research.
Non‐Boltzmann sampling and Bennett's acceptance ratio method: How to profit from bending the rules
Authors: König Gerhard , Boresch Stefan 
Published: November 2010

AbstractThe exact computation of free energy differences requires adequate sampling of all relevant low energy conformations. Especially in systems with rugged energy surfaces, adequate sampling can only be achieved by biasing the exploration process, thus yielding non‐Boltzmann probability distributions. To obtain correct free energy differences from such simulations, it is necessary to account for the effects of the bias in the postproduction analysis. We demonstrate that this can be accomplished quite simply with a slight modification of Bennett's Acceptance Ratio method, referring to this technique as Non‐Boltzmann Bennett. We illustrate the method by several examples and show how a creative choice of the biased state(s) used during sampling can also improve the efficiency of free energy simulations. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2011
Inter‐ and intramolecular dispersion interactions
Authors: Swart Marcel , Solà Miquel , Bickelhaupt F. Matthias 
Published: November 2010

AbstractWe have investigated the performance of a variety of density functional methods for weak intra‐ and intermolecular dispersion interactions. Grimme's empirical dispersion correction method is shown to give a good description for these interactions and helps to improve the description of water‐hexamer isomers, noble‐gas dimers, hydrocarbon C12H12 isomers, branching energy of linear versus branched octane, dissociation of the covalently bound anthracene dimer, and stacking within the adenine dimer. However, the dispersion correction does not correct all shortcomings of the different density functionals, which leads to sizeable differences compared to ab initio CCSD(T) and experimental reference data. The only exception is shown to be our recently presented SSB‐D functional that works well for all systems studied here. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2011.
UV‐resonance Raman micro‐spectroscopy to assess residual chromophores in cellulosic pulps
Authors: Loureiro Pedro E. G. , Fernandes António J. S. , Furtado Fernanda P. , Carvalho M. Graça V. S. , Evtuguin Dmitry V. 
Published: November 2010

AbstractUltraviolet‐resonance Raman (UV‐RR) micro‐spectroscopy is an appropriate and sensitive tool to assess the chromophore structures in bleached cellulosic pulps used for papermaking. The particular selectivity in detection and identification of chromophores in pulps is achieved by acquiring the UV‐RR spectra in the solid state with laser excitation at 325 nm. This wavelength corresponds to absorption of poly‐unsaturated chromophore structures in partially bleached/fully bleached pulps, and linearly correlated with the signal at ca 1600 cm−1 in the UV‐RR spectra. The characteristic vibrations from particular pulp chromophore structures have been assigned from experiments with model compounds, thus allowing the establishment of a UV‐RR database. Among the components of bleached pulp, the xylan–lignin complex was suggested to be an important source of chromophores. The monitoring of pulp bleaching by UV‐RR allowed us to suggest that it is the formation of new polysaccharide‐derived chromophores upon bleaching that hinders development of further brightness and is co‐responsible for the brightness reversion of fully bleached pulps. Copyright © 2010 John Wiley & Sons, Ltd.
Vibrational characterization of L‐valine phosphonate dipeptides: FT‐IR, FT‐RS, and SERS spectroscopy studies and DFT calculations
Authors: Podstawka‐Proniewicz Edyta , Andrzejak Marcin , Kafarski Paweł , Kim Younkyoo , Proniewicz Leonard M. 
Published: November 2010

AbstractFour L‐valine (L‐Val) phosphonate dipeptides that are potent inhibitors of zinc metalloproteases, namely, L‐Val‐C(Me)2‐PO3H2 (V1), L‐Val‐CH(iP)‐PO3H2 (V2), L‐Val‐CH(iB)‐PO3H2 (V3), and L‐Val‐C(Me)(iP)‐PO3H2 (V4), are studied by Fourier‐transform infrared (FT‐IR) spectroscopy, Fourier‐transform Raman spectroscopy (FT‐RS), and surface‐enhanced Raman scattering (SERS). The band assignment (wavenumbers and intensities) is made based on (B3LYP/6‐311 + + G**) calculations. Comparison of theoretical FT‐IR and FT‐RS spectra with those of SERS allows to obtain information on the orientation of these dipeptides as well as specific‐competitive interactions of their functionalities with the silver substrate. More specifically, V1 and V4 appear to interact with the silver substrate mainly via a CsgCH3 moiety localized at the NamideCsg(CH3)Pmolecular fragment. In addition, the POH and isopropyl units of V4 assist in the adsorption process of this molecule. In contrast, the CαNH2 and PO3H− groups of V2 and V3 interact with the silver nanoparticles, whereas their isopropyl and isobutyl fragments seem to be repelled by the silver substrate (except for the CH2  of V3), similar to the Cβ(CH3)2 fragment of L‐Val for all L‐Val phosphonate dipeptides investigated in this work. The adsorption mechanism of these molecules onto the colloidal silver surface is also affected by amide bond behavior. Copyright © 2010 John Wiley & Sons, Ltd.