bluuebunny/crossref_metadata_2025_split huggingface dataset:
Novel Superalkali Superhalogen Compounds (Li3)+(SH)−(SH=LiF2, BeF3, and BF4) with Aromaticity: New Electrides and Alkalides
Authors: Wang Fang‐Fang , Li Zhi‐Ru , Wu Di , Sun Xiao‐Ying , Chen Wei , Li Ying , Sun Chia‐Chung 
Published: April 2006

AbstractOptimized structures, with all real frequencies, of superalkali superhalides (Li3)+(SH)−(SH=LiF2, BeF3, and BF4), are obtained, for the first time, at the B3LYP/aug‐cc‐pVDZ and MP2/aug‐cc‐pVDZ computational levels. These superalkali superhalides possess three characteristics that are significantly different from normal alkali halides. 1) They have a variety of structures, which come from five bonding mode types: edge–face, edge–edge, face–face, face–edge, and staggered face–edge. We find that the bonding mode type closely correlates with the Li3SH bond energy. 2) The valence electrons on the Li3ring are pushed out by the (SH)−anion, and become excess electrons, conferring alkalide or electride characteristics on these Li3SH species, depending on the bonding mode type. 3) The highest occupied molecular orbital of each Li3SH species is a doubly occupied delocalized σ bonding orbital on the Li3ring, which indicates its aromaticity. It is noticeable that the maximum negative nucleus‐independent chemical shift value (about −10 ppm) moves out from the center of the Li3ring, owing to repulsion by the SH−anion. We find that these superalkali superhalides are not only complicated “supermolecules”, but are also a new type of alkalide or electride, with aromaticity.
Glutathione‐S‐transferase‐green fluorescent protein fusion protein reveals slow dissociation from high site density beads and measures free GSH
Authors: Tessema Mathewos , Simons Peter C. , Cimino Daniel F. , Sanchez Lilliana , Waller Anna , Posner Richard G. , Wandinger‐Ness Angela , Prossnitz Eric R. , Sklar Larry A. 
Published: April 2006

AbstractBackground:Glutathione, a ubiquitous tripeptide, is an important cellular constituent, and measurement of reduced and oxidized glutathione is a measure of the redox state of cells. Glutathione‐S‐transferase (GST) fusion proteins bind naturally to beads derivatized with glutathione, and elution of such bead‐bound fusion proteins with buffer containing millimolar glutathione is a commonly used method of protein purification. Many protein–protein interactions have been established by using GST fusion proteins and measuring binding of fusion protein binding partners by GST pulldown assays, usually monitored by Western blot methodology.Methods:Dextran beads suitable for flow cytometry were derivatized with glutathione. A fusion protein of GST and green fluorescent protein was used to define kinetic and equilibrium binding characteristics of GST fusion proteins to glutathione beads. Free glutathione competes with this binding, and this competition was used to measure free glutathione concentration.Results:A 10 μl assay can measure 5 μl of 20 μM glutathione (100 pmol glutathione) in 2 h by flow cytometry. This concentration is two orders of magnitude lower than cellular glutathione concentrations, and three orders of magnitude lower than affinity chromatography eluates. One important result is that by generating high site density, the GST fusion proteins can be constrained to the surface of one bead without hopping to the next bead in multiplex assays.Conclusions:Glutathione in cellular lysates and GST‐fusion protein affinity chromatography eluates can be measured by flow cytometry. Many interactions between GST fusion proteins and their fluorescent binding partners should be quantifiable by flow cytometry. Although a system may have the disadvantage that it has a low affinity and a correspondingly quick off‐rate in solution, it may remain on beads if the site density can be increased to offer a slow apparent off rate. © 2006 International Society for Analytical Cytology
Is bacterial vaginosis associated with squamous intraepithelial lesion of the uterine cervix?
Authors: Discacciati Michelle G. , Simoes Jose A. , Lopes Erika S. , Silva Samara M. , Montemor Eliana B.L. , Rabelo‐Santos Silvia H. , Westin Maria C.A. 
Published: April 2006

AbstractThe objective of this study was to analyze the association between bacterial vaginosis (BV) and squamous intraepithelial lesion (SIL). Pap smears were analyzed to verify the presence of BV and SIL. One hundred and ten women with SIL comprised the study group, while 110 women with no cytological abnormalities served as controls. BV was similarly present in women of both groups: 18% of women with SIL and 12% of women without SIL. Results were also similar when the grade of SIL was taken into consideration. BV was detected in 16% of women with low‐grade SIL and in 12% of women in the control group, while a higher rate of BV (33%) was found among women with high‐grade SIL in comparison to the controls (12%). This difference, however, was not statistically significant. BV tended to be more common among women with high‐grade SIL than in women with no cytological abnormalities. Diagn. Cytopathol. 2006; 34:323–325. © 2006 Wiley‐Liss, Inc.
Transgenic mouse for conditional, tissue‐specific Cox‐2 overexpression
Authors: Kamei Ken‐ichiro , Ishikawa Tomo‐o , Herschman Harvey R. 
Published: April 2006

AbstractWe constructed a cyclooxygenase‐2 (Cox‐2) conditional overexpression transgenic mouse (Cox‐2 COE). The transgene contains a CAG promoter driving the Cox‐2 and humanized Renilla luciferase (hRL) coding regions, linked by an internal ribosomal entry site. The promoter is followed by a loxP‐flanked sequence containing enhanced green fluorescent protein (EGFP), a neomycin selection cassette, and a transcriptional/translational STOP sequence. In the presence of Cre recombinase the loxP‐flanked sequence is excised. Cox‐2/hRL expression can be monitored repeatedly and noninvasively in vivo by imaging hRL activity. To demonstrate conditional Cox‐2 and hRL expression, a nonreplicating adenovirus carrying Cre recombinase (Ad.CMV.Cre) was injected intravenously; hepatic Cox‐2 expression and hRL signal were elevated. Cox‐2 COE embryonic fibroblasts express both Cox‐2 and hRL following Ad.CMV.Cre infection. PGE2 production is also increased following Ad.CMV.Cre infection of Cox‐2 COE embryo fibroblasts. Cox‐2 COE mice should be valuable for the study of Cox‐2 overexpression in cardiovascular disease, acute and chronic inflammatory responses, neurodegenerative diseases, and cancer. genesis 44:177–182, 2006. Published 2006 Wiley‐Liss, Inc.
Determination of thiol compounds by automated headspace solid‐phase microextraction with in‐fiber derivatization
Authors: Wang Qing , Chong J. Michael , Pawliszyn Janusz 
Published: April 2006

AbstractIn this article, headspace solid‐phase microextraction (HS‐SPME) analysis of thiol compounds with both solid and aqueous samples was investigated using N‐phenylmaleimide as an in‐fiber derivatization reagent. The derivatives were analyzed using GC‐MS. The HS‐SPME method was executed on an automatic sampler and optimized by studying a variety of factors such as the selection of the fiber, extraction time, temperature, agitation speed, etc. Method validation was carried out by spiking known amounts of thiol compounds into the sample and calculating the concentration by standard addition. The relative standard deviations (RSD) for the majority of the thiols were less than 10%. The developed method resulted in a limit of detection (LOD) in the low microgram per liter for most of the thiols analyzed, which was about one order of magnitude lower than the HS‐SPME without derivatization. Finally, the overall method was successfully applied for the determination of thiols in yellow onion, green onion and garlic. Copyright © 2006 John Wiley & Sons, Ltd.
Enzyme‐catalyzed regioselective synthesis of sugar esters and related compounds
Authors: Kennedy John F , Kumar Harish , Panesar Parmjit S , Marwaha Satwinder S , Goyal Rita , Parmar Anupama , Kaur Sukhwinder 
Published: April 2006

AbstractIn this review, a comprehensive and illustrative survey is made of the regioselective synthesis of esters of sugars and related compounds using lipases. The main emphasis has been given to the screening and use of commercially available lipases for the enzymatic esterification of neutral monosaccharides, disaccharides, sugar alcohols and their selected ether and ester derivatives. The effect of solvents and solubilizing agents in improving the yields of the resultant sugar fatty acid esters has been incorporated. Further, solvent‐free esterification with molten fatty acids, use of ionic liquids and microwave radiations for improvement in the methodology have also been discussed. Copyright © 2006 Society of Chemical Industry
Machine learning approaches for prediction of linear B‐cell epitopes on proteins
Authors: Söllner Johannes , Mayer Bernd 
Published: April 2006

AbstractIdentification and characterization of antigenic determinants on proteins has received considerable attention utilizing both, experimental as well as computational methods. For computational routines mostly structural as well as physicochemical parameters have been utilized for predicting the antigenic propensity of protein sites. However, the performance of computational routines has been low when compared to experimental alternatives.Here we describe the construction of machine learning based classifiers to enhance the prediction quality for identifying linear B‐cell epitopes on proteins. Our approach combines several parameters previously associated with antigenicity, and includes novel parameters based on frequencies of amino acids and amino acid neighborhood propensities. We utilized machine learning algorithms for deriving antigenicity classification functions assigning antigenic propensities to each amino acid of a given protein sequence. We compared the prediction quality of the novel classifiers with respect to established routines for epitope scoring, and tested prediction accuracy on experimental data available for HIV proteins. The major finding is that machine learning classifiers clearly outperform the reference classification systems on the HIV epitope validation set. Copyright © 2006 John Wiley & Sons, Ltd.
Do senior management development programmes enhance strategic management capabilities?
Authors: Brown Paul 
Published: April 2006

Abstract

The potential that management development programmes designed for senior managers have for contributing to the strategic management capabilities of organizations is explored through a survey of such programmes in large UK companies.
The programmes are found to be able to contribute to strategy formulation and implementation, including the management of change, as well as helping to develop strategic management competencies in participants. Areas where programmes often under‐achieve and opportunities for their enhancement are identified.

Copyright © 2006 John Wiley & Sons, Ltd.
Spinning on dimes: the challenges of introducing transformational change into the UK Ministry of Defence
Authors: Neal Derrick , Taylor Trevor 
Published: April 2006

Abstract

The UK Ministry of Defence (MoD) continues to be a significant customer for the major management consultancies proclaiming their expertise in change management. This paper assesses the degree to which change is being delivered effectively within the MoD and in particular within the business space.
The paper finds, based on a mixture of primary and secondary data, that the complexities of the MoD are working against the successful delivery of change in a number of ways including: civil servants and military staff needing to have a much deeper understanding of the subject of change management; deficiencies in establishing the necessary sense of urgency for change in the business space; and a failure to make the distinction between incremental and transformational change, leading to unrealistic expectations of the time required to deliver change.
The paper also notes that failures in the delivery of change in the business space will ultimately lead to important shortcomings in military operations.

Copyright © 2006 John Wiley & Sons, Ltd.
Aqueous chromatography system using temperature‐responsive polymer‐modified stationary phases
Authors: Ayano Eri , Kanazawa Hideko 
Published: April 2006

AbstractExtensive research has been carried out on functional polymers which are currently playing important roles in various fields such as medicine and engineering. Such functional polymers which respond to various kinds of stimuli are termed ‘intelligent materials’. Poly(N‐isopropylacrylamide) (PNIPAAm), a temperature‐responsive polymer, was utilized as a chromatography column matrix modifier for a novel chromatographic approach in which only aqueous media are used as a mobile phase. The ability of the developed temperature‐responsive chromatography system to separate solutes without using an organic solvent is advantageous from the point of view of maintaining the structure and activity of bioactive compounds. Recently, we designed and synthesized a new pH‐ and temperature‐responsive copolymer as a representative of such environment‐responsive polymers and grafted it onto aminopropyl silica beads. The products were evaluated as HPLC packing materials for separation systems based on a new concept, according to which the properties of the stationary phase surface are altered by external stimuli such as pH and temperature. This chromatography system utilizing the PNIPAAm copolymer is very useful for the separation of bioactive substances, such as proteins and peptides, because separation in the aqueous mobile phase is controlled solely by changing the temperature. This analytical system reduces organic waste because no organic solvent is used to separate the solutes and can therefore be classified as environmentally friendly. Future medical and pharmaceutical applications are expected.
Retention and selectivity tests of silica‐based and metal‐oxide bonded stationary phases for RP‐HPLC
Authors: Jandera Pavel , Novotná Kateřina , Beldean‐Galea Mihail S. , Jíša Kamil 
Published: April 2006

AbstractChromatographic properties of silica‐, zirconia‐ and alumina‐based columns with octadecyl‐, polyethylene glycol‐ and pentafluorophenylpropyl‐bonded stationary phases were tested. Selectivities of nine columns for LC were characterized using chromatographic methods including Walters, Engelhardt, Tanaka and Galushko hydrophobicity and silanol activity tests, measurements of methylene selectivity in various aqueous‐methanol and aqueous‐acetonitrile mobile phases and of gradient lipophilic capacity as a measure of the effect of the sample hydrophobicity on gradient‐elution separations. A semi‐empirical interaction indices model, assuming a predominant role of the solvophobic interactions of test compounds with different polarities, was compared with the linear free energy relationships approach taking into account selective polar interactions. The interaction indices model was applied to both non‐polar stationary phases bonded on silica, alumina and zirconia supports, and to the non‐modified adsorbents in the normal‐phase LC. The retention data of isomeric naphthalene disulfonic acids were used to compare the attractive and repulsive ionic interactions of the columns in purely aqueous mobile phases. The results of the hydrophobicity and polarity tests were consistent, and allowed column characterization and classification. Silanol activity was important with octadecyl silica columns, but was relatively insignificant with bonded polyethylene glycol and pentafluorophenylpropyl phases on silica gel support. Polar interactions with the alumina and zirconia support materials significantly affect the retention.
New engine coolant for corrosion protection of magnesium alloys
Authors: Starostin M. , Tamir S. 
Published: April 2006

AbstractThe global trend toward decreasing of atmospheric pollution, by saving fuel consumption in vehicles, has led to extensive interest of using lightweight metals such as magnesium alloys, in engine and cooling system components. The modern coolant is not intended to prevent corrosion of magnesium alloy in the engine cooling systems. We have developed a new coolant that aims to protect Mg alloy parts together with all other commonly used metals. Several inhibitor formulations were tested, according to glassware test (ASTM D1384) and heat transfer conditions (ASTM D4340). Mg alloys EZ33 and WE43 were added to the standard sets of metals and the corrosivity of different types of formulations was determined by weight loss measurements. The new anticorrosive coolant showed high performance in all tested metals including magnesium alloys and it satisfied the requirements (ASTM D3306). Cyclic potentiodynamic polarization curves have been used to study electrochemical corrosion behavior of the magnesium alloys EZ33 and WE43 in aqueous solution containing the inhibitors and ethylene glycol (33 vol%‐EG prepared with corrosive water according to ASTM D1384) and compared to a reference coolant with no inhibitor. It was found that a passive film was created upon the Mg alloys, which exhibited high corrosion resistance against pitting.
Testing procedure to obtain reliable potentiodynamic polarization curves on type 310S stainless steel in alkali carbonate melts
Authors: Frangini S. 
Published: April 2006

AbstractPotentiodynamic polarization measurements have been employed to evaluate the anodic behavior of a type 310S stainless steel in the eutectic Li/K molten carbonate. In general, the electrochemical tests yield useful information to predict the stability of the oxide films formed on the surface at the initial period of corrosion, although some precaution is required in the testing procedure as the reproducibility of results is seen to be adversely affected by the passage of large currents. Especially when the steel is in a passive state, erratic results are easily observed if the corrosion layer is being damaged by uncontrolled large currents. This is because the acid‐base properties of the melt are susceptible to deep changes by applied currents in the milli‐ampere range resulting in hysteresis phenomena in the polarization plot. Hysteresis is caused, on one hand, by acidic dissolution of the passive layer at high anodic currents and, on the other hand, by increased melt basicity due to oxide ion build‐up at high cathodic currents. An optimized testing procedure is therefore suggested that minimizes these effects by imposing a 2 mA/cm2 threshold current during polarization measurements. Moreover, the conditions for the applicability of the linear polarization technique to estimate kinetic parameters have been discussed in relationship with the corrosion mechanisms analysed by impedance spectra. It is concluded that the presence of diffusional impedance terms and formation of surface resistive films in molten carbonates may result in not reliable polarization resistance values obtained with the linear polarization.
Nucleoplasmin facilitates reprogramming and in vivo development of bovine nuclear transfer embryos
Authors: Betthauser Jeffery M. , Pfister‐Genskow Martha , Xu Hongzhi , Golueke Paul J. , Lacson Jenine C. , Koppang Richard W. , Myers Cena , Liu Bing , Hoeschele Ina , Eilertsen Kenneth J. , Leno Gregory H. 
Published: April 2006

AbstractSuccessful cloning by somatic cell nuclear transfer (NT) involves an oocyte‐driven transition in gene expression from an inherited somatic pattern, to an embryonic form, during early development. This reprogramming of gene expression is thought to require the remodeling of somatic chromatin and as such, faulty and/or incomplete chromatin remodeling may contribute to the aberrant gene expression and abnormal development observed in NT embryos. We used a novel approach to supplement the oocyte with chromatin remodeling factors and determined the impact of these molecules on gene expression and development of bovine NT embryos. Nucleoplasmin (NPL) or polyglutamic acid (PGA) was injected into bovine oocytes at different concentrations, either before (pre‐NT) or after (post‐NT) NT. Pre‐implantation embryos were then transferred to bovine recipients to assess in vivo development. Microinjection of remodeling factors resulted in apparent differences in the rate of blastocyst development and in pregnancy initiation rates in both NPL‐ and PGA‐injected embryos, and these differences were dependent on factor concentration and/or the time of injection. Post‐NT NPL‐injected embryos that produced the highest rate of pregnancy also demonstrated differentially expressed genes relative to pre‐NT NPL embryos and control NT embryos, both of which had lower pregnancy rates. Over 200 genes were upregulated following post‐NT NPL injection. Several of these genes were previously shown to be downregulated in NT embryos when compared to bovine IVF embryos. These data suggest that addition of chromatin remodeling factors to the oocyte may improve development of NT embryos by facilitating reprogramming of the somatic nucleus. Mol. Reprod. Dev. 977dash;986, 2006 © 2006 Wiley‐Liss, Inc.
Flame retardancy of nanocomposites based on organoclays and carbon nanotubes with aluminium trihydrate
Authors: Beyer Günter 
Published: April 2006

AbstractThe addition of aluminium trihydrate as a microfiller to organoclays or carbon nanotubes is essential to generate nanocomposites with sufficient flame retardant properties as requested by the industry. Cables using the combination of organoclays or carbon nanotubes and aluminium trihydrate demonstrate the applications of these nanocomposites as a new concept for flame retardancy. Copyright © 2006 John Wiley & Sons, Ltd.
Acrylonitrile‐containing polymers via a combination of metal‐catalyzed living radical and nitroxide‐mediated free‐radical polymerization routes
Authors: Ilhanli Ozlenen B. , Erdogan Tuba , Tunca Umit , Hizal Gurkan 
Published: April 2006

Abstract2‐Phenyl‐2‐[(2,2,6,6‐tetramethylpiperidino)oxy] ethyl 2‐bromopropanoate was successfully used as an initiator in consecutive living radical polymerization routes, such as metal‐catalyzed living radical polymerization and nitroxide‐mediated free‐radical polymerization, to produce various types of acrylonitrile‐containing polymers, such as styrene–acrylonitrile, polystyrene‐b‐styrene–acrylonitrile, polystyrene‐b‐poly(n‐butyl acrylate)‐b‐polyacrylonitrile, and polystyrene‐b‐polyacrylonitrile. The kinetic data were obtained for the metal‐catalyzed living radical polymerization of styrene–acrylonitrile. All the obtained polymers were characterized with 1H NMR, gel permeation chromatography, and differential scanning calorimetry. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 3374–3381, 2006
High thermal conductivity of polymerizable liquid‐crystal acrylic film having a twisted molecular orientation
Authors: Kato Takashi , Nagahara Takatoshi , Agari Yasuyuki , Ochi Mitsukazu 
Published: April 2006

AbstractThe aligned films, the homogeneous film, the 90°‐twisted film and the 180°‐twisted film, have been prepared by immobilizing the polymerizable liquid crystals under the UV irradiation. The relation between the thermal conductivity and the aligned molecular direction of the films was investigated. It is indicated that the additional thermal transmission effect, which the increase of the thermal conductivity may be induced, would exist in the twisted films. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 1419–1425, 2006