bluuebunny/crossref_metadata_2025_split huggingface dataset:
SPIRiT: Iterative self‐consistent parallel imaging reconstruction from arbitrary k‐space
Authors: Lustig Michael , Pauly John M. 
Published: June 2010

AbstractA new approach to autocalibrating, coil‐by‐coil parallel imaging reconstruction, is presented. It is a generalized reconstruction framework based on self‐consistency. The reconstruction problem is formulated as an optimization that yields the most consistent solution with the calibration and acquisition data. The approach is general and can accurately reconstruct images from arbitrary k‐space sampling patterns. The formulation can flexibly incorporate additional image priors such as off‐resonance correction and regularization terms that appear in compressed sensing. Several iterative strategies to solve the posed reconstruction problem in both image and k‐space domain are presented. These are based on a projection over convex sets and conjugate gradient algorithms. Phantom and in vivo studies demonstrate efficient reconstructions from undersampled Cartesian and spiral trajectories. Reconstructions that include off‐resonance correction and nonlinear ℓ1‐wavelet regularization are also demonstrated. Magn Reson Med, 2010. © 2010 Wiley‐Liss, Inc.
Flexible add‐on solution for MR image‐guided interventions in a closed‐bore scanner environment
Authors: Busse Harald , Garnov Nikita , Thörmer Gregor , Zajonz Dirk , Gründer Wilfried , Kahn Thomas , Moche Michael 
Published: June 2010

AbstractMRI is of great clinical utility for the guidance of various diagnostic and therapeutic procedures. In a standard closed‐bore scanner, the simplest approach is to manipulate the instrument outside the bore and move the patient into the bore for reference and control imaging only. Without navigational assistance, however, such an approach can be difficult, inaccurate, and time consuming. Therefore, an add‐on navigation solution is described that addresses these limitations. Patient registration is established by an automatic, robust, and fast (<30 sec) localization of table‐mounted MR reference markers and the instrument is tracked optically. Good hand‐eye coordination is provided by following the virtual instrument on MR images that are reconstructed in real time from the reference data. Needle displacements of 2.2 ± 0.6 mm and 3.9 ± 2.4 mm were determined in a phantom (P < 0.05), depending on whether the reference markers were placed at smaller (98‐139 mm) or larger (147‐188 mm) distances from the isocenter. Clinical functionality of the navigation concept is demonstrated by a double oblique, subscapular hook‐wire insertion in a patient with a body mass index of 30.1 kg/m2. Ease of use, compactness, and flexibility of this technique suggest that it can be used for many other procedures in different body regions. More patient cases are needed to evaluate clinical performance and workflow. Magn Reson Med, 2010. © 2010 Wiley‐Liss, Inc.
Understanding clinical expertise: Nurse education, experience, and the hospital context
Authors: McHugh Matthew D. , Lake Eileen T. 
Published: June 2010

AbstractClinical nursing expertise is central to quality patient care. Research on factors that contribute to expertise has focused largely on individual nurse characteristics to the exclusion of contextual factors. To address this, we examined effects of hospital contextual factors and individual nurse education and experience on clinical nursing expertise in a cross‐sectional analysis of data from 8,611 registered nurses. In a generalized ordered logistic regression analysis, the composition of the hospital staff, particularly the proportion of nurses with at least a bachelor of science in nursing degree, was associated with significantly greater odds of a nurse reporting a more advanced expertise level. Our findings suggest that, controlling for individual characteristics, the hospital context significantly influences clinical nursing expertise. © 2010 Wiley Periodicals, Inc. Res Nurs Health 33:276–287, 2010
Time‐resolved quantitative proteome profiling of host–pathogen interactions: The response of Staphylococcus aureus RN1HG to internalisation by human airway epithelial cells
Authors: Schmidt Frank , Scharf Sandra S. , Hildebrandt Petra , Burian Marc , Bernhardt Jörg , Dhople Vishnu , Kalinka Julia , Gutjahr Melanie , Hammer Elke , Völker Uwe 
Published: June 2010

AbstractStaphylococcus aureus is a versatile Gram‐positive pathogen that gains increasing importance due to the rapid spreading of resistances. Functional genomics technologies can provide new insights into the adaptational network of this bacterium and its response to environmental challenges. While functional genomics technologies, including proteomics, have been extensively used to study these phenomena in shake flask cultures, studies of bacteria from in vivo settings lack behind. Particularly for proteomics studies, the major bottleneck is the lack of sufficient proteomic coverage for low numbers of cells. In this study, we introduce a workflow that combines a pulse‐chase stable isotope labelling by amino acids in cell culture approach with high capacity cell sorting, on‐membrane digestion, and high‐sensitivity MS to detect and quantitatively monitor several hundred S. aureus proteins from a few million internalised bacteria. This workflow has been used in a proof‐of‐principle experiment to reveal changes in levels of proteins with a function in protection against oxidative damage and adaptation of cell wall synthesis in strain RN1HG upon internalisation by S9 human bronchial epithelial cells.
Comparative profiling of highly enriched 22L and Chandler mouse scrapie prion protein preparations
Authors: Moore Roger A. , Timmes Andrew , Wilmarth Phillip A. , Priola Suzette A. 
Published: June 2010

AbstractTransmissible spongiform encephalopathies (TSEs) or prion diseases are characterized by the accumulation of an aggregated isoform of the prion protein (PrP). This pathological isoform, termed PrPSc, appears to be the primary component of the TSE infectious agent or prion. However, it is not clear to what extent other protein cofactors may be involved in TSE pathogenesis or whether there are PrPSc‐associated proteins which help to determine TSE strain‐specific disease phenotypes. We enriched PrPSc from the brains of mice infected with either 22L or Chandler TSE strains and examined the protein content of these samples using nanospray LC‐MS/MS. These samples were compared with “mock” PrPSc preparations from uninfected brains. PrP was the major component of the infected samples and ferritin was the most abundant impurity. Mock enrichments contained no detectable PrP but did contain a significant amount of ferritin. Of the total proteins identified, 32% were found in both mock and infected samples. The similarities between PrPSc samples from 22L and Chandler TSE strains suggest that the non‐PrPSc protein components found in standard enrichment protocols are not strain specific.
A DFT study of structures of dipicolyl urea isomers and their recognition with carboxylic acids and their carboxylate anions
Authors: Tomapatanaget Boosayarat , Ruangpornvisuti Vithaya 
Published: June 2010

AbstractFour isomers of dipicolyl urea were obtained and the intramolecular hydrogen‐bonded structure was found to be the most stable isomer. Energetics, thermodynamic properties, rate constants, and association constants of their isomerizations computed using the B3LYP/6‐31+G(p,d) method were obtained. Complexes of all isomers of dipicolyl urea with formic acid, acetic acid, benzoic acid, oxalic acid, and their deprotonated species were investigated. Energetics, thermodynamic properties, and rate constants of their associations were obtained. Stabilities of all complexes in terms of association constants of the most stable species were determined. Copyright © 2010 John Wiley & Sons, Ltd.
Evaluation of Digital Image Discretization Error in Droplet Shape Measurement Using Simulation
Authors: Ghaemi Sina , Rahimi Payam , Nobes David S. 
Published: June 2010

AbstractDroplet shape measurement using image based techniques can be conducted using shape parameters which consist of a number of geometric features of a droplet image. The accuracy of calculating these shape parameters and their capability in revealing shape deviation is considerably affected by the discretization of the image with a camera CCD. In this paper, a simulation of digital images is conducted to investigate the error caused by image discretization. The effect of this error on calculating area, perimeter, and also a selected number of shape parameters are investigated. Digital images of circular and elliptical discs at different image/pixel size ratio and locations relative to the pixel grid have been generated to simulate the projected view. Results show that the shape parameters demonstrate different levels of sensitivity to the desirable factor of shape deviation and the undesirable factor of image discretization. A “clearance factor” has been suggested and used to rank the shape parameters based on their compensation between sensitivity to shape deviation and image discretization.
Correlation of Structure and Sensitivity in Inorganic Azides I Effect of Non‐Bonded Nitrogen Nitrogen Distances
Authors: Cartwright Michael , Wilkinson Joshua 
Published: June 2010

AbstractSensitivity of explosives is a subject of keen interest to all those involved in the handling of these materials. Current ability to predict sensitivity is based on a series of empirical rules for different classes of explosive compounds and simple oxygen balance and the ratios of C and H to oxygen are typical empirical parameters. Whilst these may be valid for organic classes, many inorganic materials do not conform to any of these patterns. Inorganic azides do not have any C, H or O atoms so oxygen balance is irrelevant. Inorganic azides display a range of sensitivity from lithium azide, which is non‐energetic and insensitive, to copper(I) azide which is highly sensitive. A number of other parameters such as enthalpy of formation again do not provide a simple correlation with sensitivity.
Igniter Function: Experimental and Theoretical Studies
Authors: Micković Dejan , Jaramaz Slobodan 
Published: June 2010

AbstractIgniters are elements of the ignition system of granular propellant charges, which have to give prescribed energetic impulse to charges. This paper includes theoretical and experimental investigations of ignition of propellant charge by igniter. The theoretical studies comprise modelling of two‐phase flow of black powder grains and their combustion products in the igniter. The interaction of igniter efflux generated by two‐phase flow of black powder in the igniter with the two‐phase flow in propellant chamber with granular propellant charge is considered. The experimental investigations of igniter function in open air and in live propellant charge placed in fibreglass propellant chambers are performed. Influence of igniter characteristics on the ignition of propellant charge is established. Verification of the developed theoretical model by the comparison with experimental data is carried out. The presented theoretical–experimental access enables the choice of optimum igniter for ignition of propellant charge.
Coloring Properties of Various High‐Nitrogen Compounds in Pyrotechnic Compositions
Authors: Klapötke Thomas M. , Radies Hendrik , Stierstorfer Jörg , Tarantik Karina R. , Chen Gary , Nagori Amita 
Published: June 2010

AbstractStrontium salts are widely used in red flame pyrotechnic compositions, usually combined with perchlorate salts as oxidizer. The potential environmental impact of perchlorate could be avoided by using high‐nitrogen compounds. Therefore, the following nitrogen‐rich strontium salts were prepared and characterized: strontium tetrazolate pentahydrate (1), strontium 1‐methyl‐5‐nitriminotetrazolate monohydrate (2), and strontium 1‐(2‐chloroethyl)‐5‐nitriminotetrazolate monohydrate (3). Their combustion behavior and both color intensity and purity were investigated in pyrotechnics. These results were compared with the US Army in‐service signal formulation.
Effect of ligand binding on human D‐amino acid oxidase: Implications for the development of new drugs for schizophrenia treatment
Authors: Caldinelli Laura , Molla Gianluca , Bracci Luisa , Lelli Barbara , Pileri Silvia , Cappelletti Pamela , Sacchi Silvia , Pollegioni Loredano 
Published: June 2010

AbstractIn human brain the flavoprotein D‐amino acid oxidase (hDAAO) is responsible for the degradation of the neuromodulator D‐serine, an important effector of NMDA‐receptor mediated neurotransmission. Experimental evidence supports the concept that D‐serine concentration increase by hDAAO inhibition may represent a valuable therapeutic approach to improve the symptoms in schizophrenia patients. This study investigated the effects on hDAAO conformation and stability of the substrate D‐serine (or of the pseudo‐substrate trifluoro‐D‐alanine), the FAD cofactor, and two inhibitors (benzoate, a classical substrate‐competitive inhibitor and the drug chlorpromazine (CPZ), which competes with the cofactor). We demonstrated that all these compounds do not alter the interaction of hDAAO with its physiological partner pLG72. The ligands used affect the tertiary structure of hDAAO differently: benzoate or trifluoro‐D‐alanine binding increases the amount of the holoenzyme form in solution and stabilizes the flavoprotein, while CPZ binding favors a protein conformation resembling that of the apoprotein, which is more sensitive to degradation. Interestingly, the apoprotein form of hDAAO binds the substrate D‐serine: this interaction increases FAD binding thus increasing the amount of active holoenzyme in solution. Benzoate and CPZ similarly modify the short‐term cellular D‐serine concentration but affect the cellular concentration of hDAAO differently. In conclusion, the different alteration of hDAAO conformation and stability by the ligands used represents a further parameter to take into consideration during the development of new drugs to cope schizophrenia.
Future colliders at CERN
Authors: Tsesmelis E. 
Published: June 2010

AbstractFollowing an outline of the Large Hadron Collider, this paper will analyze CERN's scientific plans for high‐energy colliders for the years to come. The immediate plans include the upgrades to the Large Hadron Collider and its injectors. This may be followed by a linear electron‐positron collider, the Compact Linear Collider. This paper describes the design of these future colliders at CERN, all of which have a unique value to add to experimental particle physics
Constitutive expression of bioactivating enzymes in normal human prostate suggests a capability to activate pro‐carcinogens to DNA‐damaging metabolites
Authors: Martin Francis L. , Patel Imran I. , Sozeri Osman , Singh Paras B. , Ragavan Narasimhan , Nicholson Caroline M. , Frei Eva , Meinl Walter , Glatt Hansruedi , Phillips David H. , Arlt Volker M. 
Published: June 2010

AbstractBACKGROUNDThe constitutive bioactivating capacity of human prostate may play a role in determining risk of adenocarcinoma developing in this tissue. Expression of candidate enzymes that convert exogenous and/or endogenous agents into reactive DNA‐damaging species would suggest the potential to generate initiating events in prostate cancer (CaP).METHODSNormal prostate tissues from UK‐resident Caucasians (n = 10) were collected following either radical retropubic prostatectomy (RRP) or cystaprostatectomy (CyP). An analysis of gene and protein expression of candidate metabolizing enzymes, including cytochrome P450 (CYP)1A1, CYP1A2, CYP1B1, N‐acetyltransferase 1 (NAT1), sulfotransferase (SULT)1A1, SULT1A3, NAD(P)H:quinone oxidoreductase (NQO1), prostaglandin H synthase 1 (cyclooxygenase 1; COX1), and CYP oxidoreductase (POR) was carried out. Quantitative real‐time reverse transcriptase polymerase chain reaction, Western blot, and immunohistochemical analysis were conducted.RESULTSExcept for CYP1A1 and CYP1A2, the metabolizing enzymes examined appeared to be expressed with minimal inter‐individual variation (in general, approximately two‐ to fivefold) in the expression levels. Enzymes such as CYP1B1 and NQO1 that are capable of bioactivating pro‐carcinogens to reactive metabolites were readily identifiable in human prostate. Immunohistochemical analysis showed that although some expression is located in the stroma, the majority is localized to epithelial cells lining the glandular elements of the tissue; these are the cells from which CaP might arise.CONCLUSIONConstitutive expression of bioactivating enzymes confers the potential to convert a range of exogenous and/or endogenous agents to reactive species capable of inducing DNA damaging events. These findings suggest an organ capability for pro‐carcinogen activation that could play an important role in the etiology of human CaP. Prostate 70: 1586–1599, 2010. © 2010 Wiley‐Liss, Inc.
Species specificity of the complement inhibitor compstatin investigated by all‐atom molecular dynamics simulations
Authors: Tamamis Phanourios , Morikis Dimitrios , Floudas Christodoulos A. , Archontis Georgios 
Published: June 2010

AbstractThe development of compounds to regulate the activation of the complement system in non‐primate species is of profound interest because it can provide models for human diseases. The peptide compstatin inhibits protein C3 in primate mammals and is a potential therapeutic agent against unregulated activation of complement in humans but is inactive against nonprimate species. Here, we elucidate this species specificity of compstatin by molecular dynamics simulations of complexes between the most potent natural compstatin analog and human or rat C3. The results are compared against an experimental conformation of the human complex, determined recently by X‐ray diffraction at 2.4‐Å resolution. The human complex simulations provide information on the relative contributions to stability of specific C3 and compstatin residues. In the rat simulations, the protein undergoes reproducible conformational changes, which eliminate or weaken specific interactions and reduce the complex stability. The simulation insights can be used to design improved compstatin‐based inhibitors for human C3 and active inhibitors against lower mammals. Proteins 2010. © 2010 Wiley‐Liss, Inc.
Metamaterial inspired enhanced far‐field transmission through a subwavelength nano‐hole
Authors: Boratay Alici Kamil , Ozbay Ekmel 
Published: June 2010

AbstractIn the present study, we first demonstrate the polarization and orientation dependent transmission response of split ring resonators at the infrared and visible band. Then, we numerically demonstrate a configuration for the enhancement of power passing through an electrically small hole. By using deep subwavelength optical split ring resonator antennas and couplers we achieved a 400‐fold enhanced transmission from a subwavelength aperture area of the electrical size λ2/25. The power was transmitted to the far field with 3.9 dBi directivity at 300 THz. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Vitamin C increases the fecal fat excretion by chitosan in guinea‐pigs, thereby reducing body weight gain
Authors: Jun S. C. , Jung E. Y. , Kang D. H. , Kim J. M. , Chang U. J. , Suh H. J. 
Published: June 2010

AbstractThe aims of this study were to investigate the antiobesity properties of chitosan on its own, as well as in the presence of vitamin C, in vivo. Hartley guinea‐pigs were divided into Control (normal diet), F‐control (high fat diet), Chitosan (high fat diet with 5.0% chitosan) and Chito‐vit C (high fat diet with 5.0% chitosan containing 0.5% vitamin C) groups, respectively. The effects of chitosan, both alone and in the presence of vitamin C, on body weight, total fecal weight, fecal composition and plasma lipid level were studied for 5 weeks. The results of this study indicated that the fat‐binding and water‐holding capacity of chitosan might decrease body weight by reducing the absorption of cholesterol and fat, subsequently increasing total fecal weight, fecal fat excretion and fecal water excretion. Vitamin C increased the fecal fat excretion by chitosan in guinea‐pigs, thereby reducing body weight gain. Copyright © 2010 John Wiley & Sons, Ltd.
Partial interdigitation of lipid bilayers
Authors: Mavromoustakos Thomas , Chatzigeorgiou Petros , Koukoulitsa Catherine , Durdagi Serdar 
Published: June 2010

AbstractA methodology has been developed to detect partial interdigitation of lipid bilayers when a bioactive molecule is intercalated between the polar, interface, or hydrophobic segments. This methodology uses the easily accessible differential scanning calorimetry (DSC) technique as a screening one and the increase of ΔH due to the incorporated drug in lipid bilayers as a diagnostic thermodynamic parameter. The combined use of X‐ray diffraction and Raman spectroscopy complement and confirm the provided by DSC information as it is shown in three classes of molecules, namely AT1 antagonists, vinca alkaloids, and anesthetic steroids. For the two classes of molecules, AT1 antagonists and vinca alkaloids, their presence in lipid bilayers results in the increase of ΔH and it is accompanied by the increase of trans:gauche ratio and the decrease of d‐spacing as depicted by Raman spectroscopy and small‐angle X‐ray diffraction correspondingly, confirming the predictive ability of DSC experiments. When an anesthetic steroid is incorporated in lipid bilayers, neither increase of ΔH nor decrease of d‐spacing was observed, confirming again the DSC results that show the absence of partial interdigitation of this class of molecules. Molecular dynamics simulations have been carried out for a representative system [(5S)‐1‐benzylo‐5‐(1H‐benzimidazol‐1‐ylo‐methylo)‐2‐pyrrolidinone (MMK3) ligands at 1,2‐dimyristoyl‐sn‐glycero‐3‐phosphocholine (DMPC) lipid bilayer], and the results confirmed the experimental findings. The change of distance at z‐axis of oxygen atoms at head group of lipid molecule has been measured throughout the simulations. Statistical analysis has shown ∼8.8 Å interdigitation. Derived computational results are encouraging and can be performed to another ligand/lipid system. The development of a theoretical methodology will lead to advance the field and save a valuable time and effort. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Carbon dioxide in aqueous environment—A quantum mechanical charge field molecular dynamics study
Authors: Moin Syed Tarique , Pribil Andreas B. , Lim Len Herald V. , Hofer Thomas S. , Randolf Bernhard R. , Rode Bernd M. 
Published: June 2010

AbstractStructure and dynamics of a carbon dioxide molecule in water were studied by an ab initio quantum mechanical charge field molecular dynamics (QMCF‐MD) simulation. Radial distribution functions, angular distribution functions, and coordination number distributions as well as dynamical data such as mean ligand residence time and vibrational spectra were utilized for the evaluation of physico–chemical properties of hydrated CO2. These data served for an assessment of hydrogen bonding between solute and solvent molecules. All the results evaluated were compared with available experimental results leading to a good agreement between theoretical and experimental data. The average lifetime of hydrogen bonding between H2 O and CO2 resulted as 0.61 ps, which is higher than the hydrogen bonding lifetime of pure water. The vibrational frequencies were also calculated for all the modes of hydrated CO2 to demonstrate the influence of solvent molecules on the IR spectrum of the solute. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2010